  
data_nol105 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C41 H50 Cl N3 Pd' 
_chemical_formula_weight          726.69 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0061   0.0033 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'   0.1484   0.1585 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Pd'  'Pd'  -0.9988   1.0072 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            Triclinic 
_symmetry_space_group_name_H-M    P-1 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
  
_cell_length_a                    9.7883(7) 
_cell_length_b                    19.5135(13) 
_cell_length_c                    19.8075(13) 
_cell_angle_alpha                 84.1240(10) 
_cell_angle_beta                  88.6030(10) 
_cell_angle_gamma                 79.4620(10) 
_cell_volume                      3699.9(4) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     20066 
_cell_measurement_theta_min       2.191 
_cell_measurement_theta_max       28.846 
  
_exptl_crystal_description        wedge 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.5 
_exptl_crystal_size_mid           0.4 
_exptl_crystal_size_min           0.3 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.305 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1520 
_exptl_absorpt_coefficient_mu     0.605 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.647005 
_exptl_absorpt_correction_T_max   1.000000 
_exptl_absorpt_process_details    ? 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       150(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'CCD area detector' 
_diffrn_measurement_method        'phi and omega scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             36619 
_diffrn_reflns_av_R_equivalents   0.0241 
_diffrn_reflns_av_sigmaI/netI     0.0345 
_diffrn_reflns_limit_h_min        -13 
_diffrn_reflns_limit_h_max        13 
_diffrn_reflns_limit_k_min        -26 
_diffrn_reflns_limit_k_max        26 
_diffrn_reflns_limit_l_min        -24 
_diffrn_reflns_limit_l_max        26 
_diffrn_reflns_theta_min          1.07 
_diffrn_reflns_theta_max          29.06 
_reflns_number_total              17634 
_reflns_number_gt                 12794 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'Bruker SMART' 
_computing_cell_refinement        'Bruker SMART' 
_computing_data_reduction         'Bruker SHELXTL' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0811P)²+2.1614P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.0007(2) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          17634 
_refine_ls_number_parameters      1035 
_refine_ls_number_restraints      824 
_refine_ls_R_factor_all           0.0436 
_refine_ls_R_factor_gt            0.0298 
_refine_ls_wR_factor_ref          0.0736 
_refine_ls_wR_factor_gt           0.0682 
_refine_ls_goodness_of_fit_ref    1.015 
_refine_ls_restrained_S_all       0.993 
_refine_ls_shift/su_max           0.002 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Pd1_1 Pd 0.05461(3) 0.014805(13) 0.304353(14) 0.01367(8) Uani 1 1 d U . . 
Cl1_1 Cl 0.15845(11) 0.04494(5) 0.40270(5) 0.0257(2) Uani 1 1 d U . . 
Pd2_2 Pd -0.09892(3) -0.538821(13) 0.193231(14) 0.01451(8) Uani 1 1 d U . . 
Cl2_2 Cl -0.20135(11) -0.55971(5) 0.08997(5) 0.0269(2) Uani 1 1 d U . . 
N101_1 N 0.3000(3) 0.07493(15) 0.23595(15) 0.0160(6) Uani 1 1 d U . . 
C101_1 C -0.0372(4) -0.01049(19) 0.22455(18) 0.0172(7) Uani 1 1 d U . . 
N102_1 N 0.3352(3) -0.03786(15) 0.25190(16) 0.0166(6) Uani 1 1 d U . . 
C102_1 C -0.0632(4) 0.0337(2) 0.1646(2) 0.0252(9) Uani 1 1 d U . . 
H2_1 H -0.029(5) 0.074(2) 0.162(2) 0.030 Uiso 1 1 d . . . 
N103_1 N -0.1342(3) -0.00647(16) 0.35922(16) 0.0191(7) Uani 1 1 d U . . 
C103_1 C -0.1487(5) 0.0192(3) 0.1138(2) 0.0332(10) Uani 1 1 d U . . 
H3_1 H -0.165(5) 0.050(2) 0.075(2) 0.036(13) Uiso 1 1 d . . . 
C104_1 C -0.2052(5) -0.0412(3) 0.1221(2) 0.0340(10) Uani 1 1 d U . . 
H4_1 H -0.267(4) -0.054(2) 0.090(2) 0.018(10) Uiso 1 1 d . . . 
C105_1 C -0.1795(4) -0.0863(2) 0.1816(2) 0.0270(9) Uani 1 1 d U . . 
H5_1 H -0.219(4) -0.126(2) 0.1908(19) 0.012(9) Uiso 1 1 d . . . 
C106_1 C -0.0990(4) -0.0705(2) 0.23345(19) 0.0208(8) Uani 1 1 d U . . 
C107_1 C -0.0922(4) -0.11388(19) 0.29931(19) 0.0190(8) Uani 1 1 d U . . 
C108_1 C -0.1093(4) -0.08350(18) 0.36141(19) 0.0179(7) Uani 1 1 d U . . 
C109_1 C -0.1068(4) -0.1252(2) 0.4226(2) 0.0249(9) Uani 1 1 d U . . 
H9_1 H -0.114(4) -0.113(2) 0.462(2) 0.023(12) Uiso 1 1 d . . . 
C110_1 C -0.0826(4) -0.1984(2) 0.4233(2) 0.0299(10) Uani 1 1 d U . . 
H10_1 H -0.073(4) -0.224(2) 0.465(2) 0.021(11) Uiso 1 1 d . . . 
C111_1 C -0.0629(5) -0.2287(2) 0.3633(3) 0.0340(10) Uani 1 1 d U . . 
H111_1 H -0.0460 -0.2782 0.3636 0.041 Uiso 1 1 calc R . . 
C112_1 C -0.0679(5) -0.1865(2) 0.3024(2) 0.0282(9) Uani 1 1 d U . . 
H12_1 H -0.053(4) -0.2055(19) 0.2639(19) 0.008(9) Uiso 1 1 d . . . 
C113_1 C -0.1430(4) 0.0182(2) 0.4277(2) 0.0273(9) Uani 1 1 d U . . 
H13A_1 H -0.2248 0.0053 0.4516 0.041 Uiso 1 1 calc R . . 
H13B_1 H -0.1508 0.0693 0.4235 0.041 Uiso 1 1 calc R . . 
H13C_1 H -0.0591 -0.0035 0.4533 0.041 Uiso 1 1 calc R . . 
C114_1 C -0.2693(4) 0.0251(2) 0.3257(2) 0.0240(9) Uani 1 1 d U . . 
H14A_1 H -0.339(5) 0.011(2) 0.347(2) 0.021(11) Uiso 1 1 d . . . 
H14B_1 H -0.274(5) 0.075(2) 0.321(2) 0.030(12) Uiso 1 1 d . . . 
H14C_1 H -0.278(4) 0.014(2) 0.283(2) 0.022(11) Uiso 1 1 d . . . 
C115_1 C 0.2339(4) 0.14815(18) 0.2227(2) 0.0194(8) Uani 1 1 d U . . 
C116_1 C 0.1794(4) 0.17138(19) 0.1579(2) 0.0220(8) Uani 1 1 d U . . 
C117_1 C 0.1108(4) 0.2401(2) 0.1474(2) 0.0286(9) Uani 1 1 d U . . 
H17_1 H 0.076(5) 0.257(2) 0.104(2) 0.034 Uiso 1 1 d . . . 
C118_1 C 0.0997(4) 0.2850(2) 0.1979(2) 0.0312(10) Uani 1 1 d U . . 
H18_1 H 0.0470 0.3310 0.1903 0.037 Uiso 1 1 calc R . . 
C119_1 C 0.1650(5) 0.2628(2) 0.2589(2) 0.0285(9) Uani 1 1 d U . . 
H19_1 H 0.160(5) 0.292(2) 0.294(2) 0.029(12) Uiso 1 1 d . . . 
C120_1 C 0.2364(4) 0.19341(19) 0.2731(2) 0.0218(8) Uani 1 1 d U . . 
C121_1 C 0.2015(4) 0.1255(2) 0.0991(2) 0.0263(9) Uani 1 1 d U . . 
H21_1 H 0.209(4) 0.078(2) 0.119(2) 0.023(11) Uiso 1 1 d . . . 
C122_1 C 0.3403(5) 0.1318(3) 0.0628(2) 0.0413(12) Uani 1 1 d U . . 
H22A_1 H 0.3563 0.1000 0.0271 0.062 Uiso 1 1 calc R . . 
H22B_1 H 0.4162 0.1194 0.0957 0.062 Uiso 1 1 calc R . . 
H22C_1 H 0.3368 0.1801 0.0426 0.062 Uiso 1 1 calc R . . 
C123_1 C 0.0865(5) 0.1437(2) 0.0456(2) 0.0357(11) Uani 1 1 d U . . 
H23A_1 H 0.0950 0.1878 0.0189 0.054 Uiso 1 1 calc R . . 
H23B_1 H -0.0045 0.1487 0.0682 0.054 Uiso 1 1 calc R . . 
H23C_1 H 0.0953 0.1062 0.0155 0.054 Uiso 1 1 calc R . . 
C124_1 C 0.3207(4) 0.1729(2) 0.3377(2) 0.0249(9) Uani 1 1 d U . . 
H24_1 H 0.331(4) 0.119(2) 0.346(2) 0.030 Uiso 1 1 d . . . 
C125_1 C 0.4644(5) 0.1944(2) 0.3281(2) 0.0322(10) Uani 1 1 d U . . 
H25A_1 H 0.5125 0.1726 0.2895 0.048 Uiso 1 1 calc R . . 
H25B_1 H 0.5195 0.1788 0.3693 0.048 Uiso 1 1 calc R . . 
H25C_1 H 0.4526 0.2455 0.3192 0.048 Uiso 1 1 calc R . . 
C126_1 C 0.2492(5) 0.2038(2) 0.4007(2) 0.0365(11) Uani 1 1 d U . . 
H26A_1 H 0.2482 0.2543 0.3968 0.055 Uiso 1 1 calc R . . 
H26B_1 H 0.3004 0.1815 0.4415 0.055 Uiso 1 1 calc R . . 
H26C_1 H 0.1536 0.1952 0.4038 0.055 Uiso 1 1 calc R . . 
C127_1 C 0.4384(4) 0.0516(2) 0.2220(2) 0.0225(8) Uani 1 1 d U . . 
H27_1 H 0.5052 0.0800 0.2080 0.027 Uiso 1 1 calc R . . 
C128_1 C 0.4612(4) -0.0185(2) 0.2317(2) 0.0219(8) Uani 1 1 d U . . 
H28_1 H 0.543(5) -0.052(2) 0.228(2) 0.026(11) Uiso 1 1 d . . . 
C129_1 C 0.2332(4) 0.01991(17) 0.25585(18) 0.0155(7) Uani 1 1 d U . . 
C130_1 C 0.3171(4) -0.10996(18) 0.2591(2) 0.0189(8) Uani 1 1 d U . . 
C131_1 C 0.3361(4) -0.14917(19) 0.3227(2) 0.0211(8) Uani 1 1 d U . . 
C132_1 C 0.3228(4) -0.2195(2) 0.3265(2) 0.0274(9) Uani 1 1 d U . . 
H32_1 H 0.325(5) -0.244(3) 0.367(3) 0.041(14) Uiso 1 1 d . . . 
C133_1 C 0.2928(4) -0.2492(2) 0.2685(3) 0.0317(10) Uani 1 1 d U . . 
H33_1 H 0.281(5) -0.298(3) 0.276(3) 0.051(15) Uiso 1 1 d . . . 
C134_1 C 0.2763(4) -0.2098(2) 0.2070(2) 0.0283(9) Uani 1 1 d U . . 
H34_1 H 0.2568 -0.2310 0.1682 0.034 Uiso 1 1 calc R . . 
C135_1 C 0.2874(4) -0.1392(2) 0.2002(2) 0.0227(8) Uani 1 1 d U . . 
C136_1 C 0.2759(5) -0.0975(2) 0.1307(2) 0.0279(9) Uani 1 1 d U . . 
H36_1 H 0.266(5) -0.056(2) 0.135(2) 0.035(14) Uiso 1 1 d . . . 
C137_1 C 0.4136(5) -0.1098(3) 0.0919(3) 0.0458(13) Uani 1 1 d U . . 
H37A_1 H 0.4363 -0.1589 0.0824 0.069 Uiso 1 1 calc R . . 
H37B_1 H 0.4874 -0.0990 0.1194 0.069 Uiso 1 1 calc R . . 
H37C_1 H 0.4054 -0.0795 0.0491 0.069 Uiso 1 1 calc R . . 
C138_1 C 0.1612(5) -0.1143(3) 0.0875(3) 0.0371(11) Uani 1 1 d U . . 
H38A_1 H 0.142(5) -0.081(2) 0.053(2) 0.026(12) Uiso 1 1 d . . . 
H38B_1 H 0.084(6) -0.115(3) 0.108(3) 0.064(19) Uiso 1 1 d . . . 
H38C_1 H 0.194(6) -0.161(3) 0.069(3) 0.054(16) Uiso 1 1 d . . . 
C139_1 C 0.3804(4) -0.1196(2) 0.3845(2) 0.0251(9) Uani 1 1 d U . . 
H39_1 H 0.362(5) -0.071(2) 0.380(2) 0.030 Uiso 1 1 d . . . 
C140_1 C 0.3004(5) -0.1389(3) 0.4489(2) 0.0384(11) Uani 1 1 d U . . 
H40A_1 H 0.3201 -0.1898 0.4601 0.058 Uiso 1 1 calc R . . 
H40B_1 H 0.2006 -0.1233 0.4413 0.058 Uiso 1 1 calc R . . 
H40C_1 H 0.3294 -0.1160 0.4865 0.058 Uiso 1 1 calc R . . 
C141_1 C 0.5377(5) -0.1440(3) 0.3959(3) 0.0431(12) Uani 1 1 d U . . 
H41A_1 H 0.588(5) -0.132(2) 0.358(2) 0.029(13) Uiso 1 1 d . . . 
H41B_1 H 0.566(6) -0.121(3) 0.435(3) 0.062(18) Uiso 1 1 d . . . 
H41C_1 H 0.559(5) -0.189(3) 0.410(3) 0.043(16) Uiso 1 1 d . . . 
N201_2 N -0.3819(3) -0.48741(15) 0.24537(16) 0.0173(6) Uani 1 1 d U . . 
C201_2 C -0.0134(4) -0.5164(2) 0.27594(19) 0.0195(8) Uani 1 1 d U . . 
N202_2 N -0.3462(3) -0.60008(15) 0.25503(16) 0.0172(6) Uani 1 1 d U . . 
C202_2 C 0.0105(5) -0.5613(2) 0.3356(2) 0.0285(9) Uani 1 1 d U . . 
H2_2 H -0.023(5) -0.608(2) 0.337(2) 0.037(13) Uiso 1 1 d . . . 
N203_2 N 0.0940(3) -0.51807(16) 0.14318(16) 0.0196(7) Uani 1 1 d U . . 
C203_2 C 0.0886(5) -0.5463(3) 0.3887(2) 0.0373(11) Uani 1 1 d U . . 
H3_2 H 0.107(5) -0.580(3) 0.431(3) 0.045 Uiso 1 1 d . . . 
C204_2 C 0.1429(5) -0.4851(3) 0.3829(2) 0.0370(11) Uani 1 1 d U . . 
H4_2 H 0.208(6) -0.476(3) 0.413(3) 0.058(17) Uiso 1 1 d . . . 
C205_2 C 0.1231(4) -0.4403(2) 0.3228(2) 0.0293(9) Uani 1 1 d U . . 
H5_2 H 0.1618 -0.3988 0.3183 0.035 Uiso 1 1 calc R . . 
C206_2 C 0.0471(4) -0.4556(2) 0.2694(2) 0.0216(8) Uani 1 1 d U . . 
C207_2 C 0.0425(4) -0.41105(19) 0.2033(2) 0.0199(8) Uani 1 1 d U . . 
C208_2 C 0.0685(4) -0.44190(19) 0.14180(19) 0.0188(8) Uani 1 1 d U . . 
C209_2 C 0.0682(4) -0.3987(2) 0.0809(2) 0.0239(8) Uani 1 1 d U . . 
H9_2 H 0.087(5) -0.415(2) 0.040(2) 0.029 Uiso 1 1 d . . . 
C210_2 C 0.0405(5) -0.3262(2) 0.0807(2) 0.0295(10) Uani 1 1 d U . . 
H10_2 H 0.039(5) -0.303(2) 0.040(2) 0.035 Uiso 1 1 d . . . 
C211_2 C 0.0126(5) -0.2965(2) 0.1403(3) 0.0328(10) Uani 1 1 d U . . 
H11_2 H -0.004(4) -0.251(2) 0.142(2) 0.025(11) Uiso 1 1 d . . . 
C212_2 C 0.0155(5) -0.3385(2) 0.2012(2) 0.0291(9) Uani 1 1 d U . . 
H12_2 H 0.003(5) -0.322(2) 0.241(2) 0.035 Uiso 1 1 d . . . 
C213_2 C 0.1111(4) -0.5429(2) 0.0744(2) 0.0255(9) Uani 1 1 d U . . 
H13A_2 H 0.1914 -0.5270 0.0517 0.038 Uiso 1 1 calc R . . 
H13B_2 H 0.0273 -0.5239 0.0478 0.038 Uiso 1 1 calc R . . 
H13C_2 H 0.1261 -0.5942 0.0786 0.038 Uiso 1 1 calc R . . 
C214_2 C 0.2283(4) -0.5494(2) 0.1784(2) 0.0232(8) Uani 1 1 d U . . 
H14A_2 H 0.243(4) -0.600(2) 0.1804(18) 0.012(9) Uiso 1 1 d . . . 
H14B_2 H 0.317(5) -0.535(2) 0.155(2) 0.042(14) Uiso 1 1 d . . . 
H14C_2 H 0.232(5) -0.536(2) 0.218(2) 0.029(13) Uiso 1 1 d . . . 
C215_2 C -0.3638(4) -0.41448(18) 0.2424(2) 0.0195(8) Uani 1 1 d U . . 
C216_2 C -0.3835(4) -0.3726(2) 0.1804(2) 0.0230(8) Uani 1 1 d U . . 
C217_2 C -0.3699(5) -0.3025(2) 0.1810(3) 0.0300(10) Uani 1 1 d U . . 
H17_2 H -0.378(4) -0.278(2) 0.142(2) 0.020(11) Uiso 1 1 d . . . 
C218_2 C -0.3434(5) -0.2760(2) 0.2397(3) 0.0345(10) Uani 1 1 d U . . 
H18_2 H -0.3355 -0.2281 0.2387 0.041 Uiso 1 1 calc R . . 
C219_2 C -0.3281(5) -0.3180(2) 0.2998(2) 0.0299(10) Uani 1 1 d U . . 
H19_2 H -0.318(5) -0.305(2) 0.340(2) 0.036 Uiso 1 1 d . . . 
C220_2 C -0.3382(4) -0.3887(2) 0.3032(2) 0.0231(8) Uani 1 1 d U . . 
C221_2 C -0.4248(5) -0.3993(2) 0.1160(2) 0.0302(10) Uani 1 1 d U . . 
H21_2 H -0.408(5) -0.444(3) 0.121(2) 0.036 Uiso 1 1 d . . . 
C222_2 C -0.3498(5) -0.3740(3) 0.0526(2) 0.0432(12) Uani 1 1 d U . . 
H22A_2 H -0.3764 -0.3230 0.0438 0.065 Uiso 1 1 calc R . . 
H22B_2 H -0.3757 -0.3961 0.0138 0.065 Uiso 1 1 calc R . . 
H22C_2 H -0.2492 -0.3866 0.0595 0.065 Uiso 1 1 calc R . . 
C223_2 C -0.5833(5) -0.3790(3) 0.1065(3) 0.0403(11) Uani 1 1 d U . . 
H23A_2 H -0.6096 -0.3279 0.0988 0.060 Uiso 1 1 calc R . . 
H23B_2 H -0.6304 -0.3960 0.1473 0.060 Uiso 1 1 calc R . . 
H23C_2 H -0.6107 -0.4001 0.0672 0.060 Uiso 1 1 calc R . . 
C224_2 C -0.3303(5) -0.4333(2) 0.3714(2) 0.0313(10) Uani 1 1 d U . . 
H24_2 H -0.3039 -0.4836 0.3623 0.038 Uiso 1 1 calc R . . 
C225_2 C -0.4735(6) -0.4238(3) 0.4056(3) 0.0491(14) Uani 1 1 d U . . 
H25A_2 H -0.466(6) -0.455(3) 0.449(3) 0.065(18) Uiso 1 1 d . . . 
H25B_2 H -0.491(6) -0.374(3) 0.412(3) 0.062(18) Uiso 1 1 d . . . 
H25C_2 H -0.560(6) -0.443(3) 0.374(3) 0.070(19) Uiso 1 1 d . . . 
C226_2 C -0.2214(6) -0.4176(3) 0.4183(3) 0.0451(13) Uani 1 1 d U . . 
H26A_2 H -0.2546 -0.3723 0.4358 0.068 Uiso 1 1 calc R . . 
H26B_2 H -0.1346 -0.4160 0.3929 0.068 Uiso 1 1 calc R . . 
H26C_2 H -0.2048 -0.4545 0.4562 0.068 Uiso 1 1 calc R . . 
C227_2 C -0.5082(4) -0.5072(2) 0.2633(2) 0.0231(8) Uani 1 1 d U . . 
H27_2 H -0.589(5) -0.477(2) 0.267(2) 0.028 Uiso 1 1 d . . . 
C228_2 C -0.4859(4) -0.5774(2) 0.2691(2) 0.0224(8) Uani 1 1 d U . . 
H28_2 H -0.546(5) -0.614(2) 0.275(2) 0.041(14) Uiso 1 1 d . . . 
C229_2 C -0.2807(4) -0.54434(18) 0.23892(18) 0.0165(7) Uani 1 1 d U . . 
C230_2 C -0.2805(4) -0.67358(18) 0.2651(2) 0.0187(8) Uani 1 1 d U . . 
C231_2 C -0.2270(4) -0.6995(2) 0.3299(2) 0.0241(8) Uani 1 1 d U . . 
C232_2 C -0.1563(5) -0.7689(2) 0.3372(3) 0.0337(10) Uani 1 1 d U . . 
H32_2 H -0.117(4) -0.788(2) 0.378(2) 0.022(11) Uiso 1 1 d . . . 
C233_2 C -0.1463(4) -0.8103(2) 0.2844(3) 0.0331(10) Uani 1 1 d U . . 
H33_2 H -0.0945 -0.8567 0.2901 0.040 Uiso 1 1 calc R . . 
C234_2 C -0.2102(4) -0.7854(2) 0.2237(2) 0.0280(9) Uani 1 1 d U . . 
H34_2 H -0.2065 -0.8158 0.1889 0.034 Uiso 1 1 calc R . . 
C235_2 C -0.2809(4) -0.71609(19) 0.2120(2) 0.0218(8) Uani 1 1 d U . . 
C236_2 C -0.3626(5) -0.6925(2) 0.1473(2) 0.0258(9) Uani 1 1 d U . . 
H36_2 H -0.375(5) -0.646(2) 0.146(2) 0.031 Uiso 1 1 d . . . 
C237_2 C -0.2867(5) -0.7194(2) 0.0835(2) 0.0389(11) Uani 1 1 d U . . 
H37A_2 H -0.1924 -0.7089 0.0820 0.058 Uiso 1 1 calc R . . 
H37B_2 H -0.3375 -0.6962 0.0430 0.058 Uiso 1 1 calc R . . 
H37C_2 H -0.2819 -0.7701 0.0851 0.058 Uiso 1 1 calc R . . 
C238_2 C -0.5041(5) -0.7160(2) 0.1534(2) 0.0331(10) Uani 1 1 d U . . 
H38A_2 H -0.4899 -0.7673 0.1594 0.050 Uiso 1 1 calc R . . 
H38B_2 H -0.5579 -0.6987 0.1121 0.050 Uiso 1 1 calc R . . 
H38C_2 H -0.5548 -0.6971 0.1927 0.050 Uiso 1 1 calc R . . 
C239_2 C -0.2545(5) -0.6571(2) 0.3908(2) 0.0309(10) Uani 1 1 d U . . 
H39_2 H -0.255(5) -0.610(2) 0.373(2) 0.031(12) Uiso 1 1 d . . . 
C240_2 C -0.3948(6) -0.6646(3) 0.4233(3) 0.0454(13) Uani 1 1 d U . . 
H40A_2 H -0.398(6) -0.709(3) 0.441(3) 0.068 Uiso 1 1 d . . . 
H40B_2 H -0.469(6) -0.645(3) 0.393(3) 0.068 Uiso 1 1 d . . . 
H40C_2 H -0.411(6) -0.636(3) 0.463(3) 0.068 Uiso 1 1 d . . . 
C241_2 C -0.1416(7) -0.6785(3) 0.4459(3) 0.0447(14) Uani 1 1 d U . . 
H41A_2 H -0.156(6) -0.650(3) 0.477(3) 0.053(18) Uiso 1 1 d . . . 
H41B_2 H -0.145(6) -0.723(3) 0.466(3) 0.064 Uiso 1 1 d . . . 
H41C_2 H -0.051(7) -0.682(3) 0.427(3) 0.08(2) Uiso 1 1 d . . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Pd1_1 C101_1 1.985(4) . ? 
Pd1_1 C129_1 1.987(4) . ? 
Pd1_1 N103_1 2.204(3) . ? 
Pd1_1 Cl1_1 2.3924(10) . ? 
Pd2_2 C201_2 1.981(4) . ? 
Pd2_2 C229_2 1.992(4) . ? 
Pd2_2 N203_2 2.195(3) . ? 
Pd2_2 Cl2_2 2.4032(10) . ? 
N101_1 C129_1 1.376(4) . ? 
N101_1 C127_1 1.380(5) . ? 
N101_1 C115_1 1.457(4) . ? 
C101_1 C102_1 1.393(5) . ? 
C101_1 C106_1 1.406(5) . ? 
N102_1 C129_1 1.370(4) . ? 
N102_1 C128_1 1.393(5) . ? 
N102_1 C130_1 1.442(4) . ? 
C102_1 C103_1 1.407(6) . ? 
N103_1 C108_1 1.474(5) . ? 
N103_1 C113_1 1.481(5) . ? 
N103_1 C114_1 1.493(5) . ? 
C103_1 C104_1 1.384(6) . ? 
C104_1 C105_1 1.395(7) . ? 
C105_1 C106_1 1.402(5) . ? 
C106_1 C107_1 1.477(5) . ? 
C107_1 C112_1 1.389(5) . ? 
C107_1 C108_1 1.413(5) . ? 
C108_1 C109_1 1.387(5) . ? 
C109_1 C110_1 1.403(6) . ? 
C110_1 C111_1 1.374(7) . ? 
C111_1 C112_1 1.385(6) . ? 
C115_1 C116_1 1.401(6) . ? 
C115_1 C120_1 1.404(5) . ? 
C116_1 C117_1 1.382(5) . ? 
C116_1 C121_1 1.529(6) . ? 
C117_1 C118_1 1.386(6) . ? 
C118_1 C119_1 1.373(7) . ? 
C119_1 C120_1 1.410(5) . ? 
C120_1 C124_1 1.518(6) . ? 
C121_1 C123_1 1.533(6) . ? 
C121_1 C122_1 1.541(6) . ? 
C124_1 C126_1 1.537(6) . ? 
C124_1 C125_1 1.542(6) . ? 
C127_1 C128_1 1.340(5) . ? 
C130_1 C131_1 1.403(5) . ? 
C130_1 C135_1 1.409(5) . ? 
C131_1 C132_1 1.397(5) . ? 
C131_1 C139_1 1.512(6) . ? 
C132_1 C133_1 1.397(6) . ? 
C133_1 C134_1 1.369(6) . ? 
C134_1 C135_1 1.394(5) . ? 
C135_1 C136_1 1.521(6) . ? 
C136_1 C137_1 1.528(6) . ? 
C136_1 C138_1 1.529(7) . ? 
C139_1 C140_1 1.531(6) . ? 
C139_1 C141_1 1.541(6) . ? 
N201_2 C229_2 1.361(4) . ? 
N201_2 C227_2 1.389(5) . ? 
N201_2 C215_2 1.461(4) . ? 
C201_2 C202_2 1.395(6) . ? 
C201_2 C206_2 1.412(5) . ? 
N202_2 C229_2 1.368(4) . ? 
N202_2 C228_2 1.388(5) . ? 
N202_2 C230_2 1.456(4) . ? 
C202_2 C203_2 1.400(6) . ? 
N203_2 C208_2 1.459(5) . ? 
N203_2 C213_2 1.487(5) . ? 
N203_2 C214_2 1.500(5) . ? 
C203_2 C204_2 1.387(6) . ? 
C204_2 C205_2 1.398(7) . ? 
C205_2 C206_2 1.395(6) . ? 
C206_2 C207_2 1.492(5) . ? 
C207_2 C212_2 1.388(5) . ? 
C207_2 C208_2 1.411(5) . ? 
C208_2 C209_2 1.399(5) . ? 
C209_2 C210_2 1.390(6) . ? 
C210_2 C211_2 1.368(6) . ? 
C211_2 C212_2 1.385(6) . ? 
C215_2 C220_2 1.398(5) . ? 
C215_2 C216_2 1.399(5) . ? 
C216_2 C217_2 1.401(6) . ? 
C216_2 C221_2 1.517(6) . ? 
C217_2 C218_2 1.368(7) . ? 
C218_2 C219_2 1.368(7) . ? 
C219_2 C220_2 1.396(5) . ? 
C220_2 C224_2 1.525(6) . ? 
C221_2 C222_2 1.522(6) . ? 
C221_2 C223_2 1.540(6) . ? 
C224_2 C226_2 1.523(6) . ? 
C224_2 C225_2 1.531(7) . ? 
C227_2 C228_2 1.340(5) . ? 
C230_2 C235_2 1.405(5) . ? 
C230_2 C231_2 1.406(5) . ? 
C231_2 C232_2 1.398(6) . ? 
C231_2 C239_2 1.524(6) . ? 
C232_2 C233_2 1.377(7) . ? 
C233_2 C234_2 1.370(6) . ? 
C234_2 C235_2 1.402(5) . ? 
C235_2 C236_2 1.513(6) . ? 
C236_2 C238_2 1.535(6) . ? 
C236_2 C237_2 1.539(6) . ? 
C239_2 C240_2 1.527(7) . ? 
C239_2 C241_2 1.543(7) . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
C101_1 Pd1_1 C129_1 94.19(15) . . ? 
C101_1 Pd1_1 N103_1 84.21(13) . . ? 
C129_1 Pd1_1 N103_1 172.19(12) . . ? 
C101_1 Pd1_1 Cl1_1 178.11(10) . . ? 
C129_1 Pd1_1 Cl1_1 87.69(11) . . ? 
N103_1 Pd1_1 Cl1_1 93.91(9) . . ? 
C201_2 Pd2_2 C229_2 93.52(15) . . ? 
C201_2 Pd2_2 N203_2 84.39(13) . . ? 
C229_2 Pd2_2 N203_2 172.62(12) . . ? 
C201_2 Pd2_2 Cl2_2 176.83(11) . . ? 
C229_2 Pd2_2 Cl2_2 87.84(11) . . ? 
N203_2 Pd2_2 Cl2_2 93.90(9) . . ? 
C129_1 N101_1 C127_1 111.3(3) . . ? 
C129_1 N101_1 C115_1 125.9(3) . . ? 
C127_1 N101_1 C115_1 122.4(3) . . ? 
C102_1 C101_1 C106_1 118.3(4) . . ? 
C102_1 C101_1 Pd1_1 123.3(3) . . ? 
C106_1 C101_1 Pd1_1 117.5(3) . . ? 
C129_1 N102_1 C128_1 111.0(3) . . ? 
C129_1 N102_1 C130_1 126.6(3) . . ? 
C128_1 N102_1 C130_1 122.1(3) . . ? 
C101_1 C102_1 C103_1 121.5(4) . . ? 
C108_1 N103_1 C113_1 112.6(3) . . ? 
C108_1 N103_1 C114_1 111.0(3) . . ? 
C113_1 N103_1 C114_1 105.9(3) . . ? 
C108_1 N103_1 Pd1_1 99.7(2) . . ? 
C113_1 N103_1 Pd1_1 111.8(2) . . ? 
C114_1 N103_1 Pd1_1 116.1(2) . . ? 
C104_1 C103_1 C102_1 119.7(4) . . ? 
C103_1 C104_1 C105_1 119.6(4) . . ? 
C104_1 C105_1 C106_1 120.7(4) . . ? 
C105_1 C106_1 C101_1 120.1(4) . . ? 
C105_1 C106_1 C107_1 118.6(4) . . ? 
C101_1 C106_1 C107_1 121.0(3) . . ? 
C112_1 C107_1 C108_1 117.4(4) . . ? 
C112_1 C107_1 C106_1 121.0(4) . . ? 
C108_1 C107_1 C106_1 121.6(3) . . ? 
C109_1 C108_1 C107_1 120.6(3) . . ? 
C109_1 C108_1 N103_1 121.1(3) . . ? 
C107_1 C108_1 N103_1 118.2(3) . . ? 
C108_1 C109_1 C110_1 120.0(4) . . ? 
C111_1 C110_1 C109_1 120.0(4) . . ? 
C110_1 C111_1 C112_1 119.6(4) . . ? 
C111_1 C112_1 C107_1 122.4(4) . . ? 
C116_1 C115_1 C120_1 122.7(3) . . ? 
C116_1 C115_1 N101_1 118.1(3) . . ? 
C120_1 C115_1 N101_1 119.0(3) . . ? 
C117_1 C116_1 C115_1 117.1(4) . . ? 
C117_1 C116_1 C121_1 120.2(4) . . ? 
C115_1 C116_1 C121_1 122.5(3) . . ? 
C116_1 C117_1 C118_1 121.8(4) . . ? 
C119_1 C118_1 C117_1 119.9(4) . . ? 
C118_1 C119_1 C120_1 121.2(4) . . ? 
C115_1 C120_1 C119_1 116.6(4) . . ? 
C115_1 C120_1 C124_1 123.4(3) . . ? 
C119_1 C120_1 C124_1 119.8(4) . . ? 
C116_1 C121_1 C123_1 113.9(4) . . ? 
C116_1 C121_1 C122_1 110.1(4) . . ? 
C123_1 C121_1 C122_1 107.7(4) . . ? 
C120_1 C124_1 C126_1 114.0(4) . . ? 
C120_1 C124_1 C125_1 110.3(3) . . ? 
C126_1 C124_1 C125_1 109.2(4) . . ? 
C128_1 C127_1 N101_1 107.3(3) . . ? 
C127_1 C128_1 N102_1 107.0(3) . . ? 
N102_1 C129_1 N101_1 103.5(3) . . ? 
N102_1 C129_1 Pd1_1 122.2(2) . . ? 
N101_1 C129_1 Pd1_1 132.3(3) . . ? 
C131_1 C130_1 C135_1 122.5(3) . . ? 
C131_1 C130_1 N102_1 119.7(3) . . ? 
C135_1 C130_1 N102_1 117.7(3) . . ? 
C132_1 C131_1 C130_1 117.5(4) . . ? 
C132_1 C131_1 C139_1 119.9(4) . . ? 
C130_1 C131_1 C139_1 122.5(3) . . ? 
C131_1 C132_1 C133_1 120.6(4) . . ? 
C134_1 C133_1 C132_1 120.5(4) . . ? 
C133_1 C134_1 C135_1 121.5(4) . . ? 
C134_1 C135_1 C130_1 117.3(4) . . ? 
C134_1 C135_1 C136_1 120.5(4) . . ? 
C130_1 C135_1 C136_1 122.1(3) . . ? 
C135_1 C136_1 C137_1 111.2(4) . . ? 
C135_1 C136_1 C138_1 112.5(4) . . ? 
C137_1 C136_1 C138_1 109.2(4) . . ? 
C131_1 C139_1 C140_1 113.2(4) . . ? 
C131_1 C139_1 C141_1 110.0(4) . . ? 
C140_1 C139_1 C141_1 109.9(4) . . ? 
C229_2 N201_2 C227_2 111.2(3) . . ? 
C229_2 N201_2 C215_2 126.8(3) . . ? 
C227_2 N201_2 C215_2 121.7(3) . . ? 
C202_2 C201_2 C206_2 118.0(4) . . ? 
C202_2 C201_2 Pd2_2 124.7(3) . . ? 
C206_2 C201_2 Pd2_2 116.4(3) . . ? 
C229_2 N202_2 C228_2 110.7(3) . . ? 
C229_2 N202_2 C230_2 126.5(3) . . ? 
C228_2 N202_2 C230_2 122.4(3) . . ? 
C201_2 C202_2 C203_2 121.6(4) . . ? 
C208_2 N203_2 C213_2 113.2(3) . . ? 
C208_2 N203_2 C214_2 110.5(3) . . ? 
C213_2 N203_2 C214_2 104.5(3) . . ? 
C208_2 N203_2 Pd2_2 99.1(2) . . ? 
C213_2 N203_2 Pd2_2 112.4(2) . . ? 
C214_2 N203_2 Pd2_2 117.5(2) . . ? 
C204_2 C203_2 C202_2 119.9(4) . . ? 
C203_2 C204_2 C205_2 119.3(4) . . ? 
C206_2 C205_2 C204_2 120.9(4) . . ? 
C205_2 C206_2 C201_2 120.1(4) . . ? 
C205_2 C206_2 C207_2 119.1(3) . . ? 
C201_2 C206_2 C207_2 120.5(3) . . ? 
C212_2 C207_2 C208_2 118.7(4) . . ? 
C212_2 C207_2 C206_2 120.8(4) . . ? 
C208_2 C207_2 C206_2 120.5(3) . . ? 
C209_2 C208_2 C207_2 119.2(3) . . ? 
C209_2 C208_2 N203_2 121.6(3) . . ? 
C207_2 C208_2 N203_2 119.2(3) . . ? 
C210_2 C209_2 C208_2 120.6(4) . . ? 
C211_2 C210_2 C209_2 120.0(4) . . ? 
C210_2 C211_2 C212_2 120.2(4) . . ? 
C211_2 C212_2 C207_2 121.3(4) . . ? 
C220_2 C215_2 C216_2 123.3(3) . . ? 
C220_2 C215_2 N201_2 117.7(3) . . ? 
C216_2 C215_2 N201_2 118.9(3) . . ? 
C215_2 C216_2 C217_2 116.5(4) . . ? 
C215_2 C216_2 C221_2 123.0(4) . . ? 
C217_2 C216_2 C221_2 120.5(4) . . ? 
C218_2 C217_2 C216_2 121.4(4) . . ? 
C217_2 C218_2 C219_2 120.6(4) . . ? 
C218_2 C219_2 C220_2 121.4(4) . . ? 
C219_2 C220_2 C215_2 116.7(4) . . ? 
C219_2 C220_2 C224_2 120.6(4) . . ? 
C215_2 C220_2 C224_2 122.6(3) . . ? 
C216_2 C221_2 C222_2 113.9(4) . . ? 
C216_2 C221_2 C223_2 109.7(4) . . ? 
C222_2 C221_2 C223_2 110.2(4) . . ? 
C226_2 C224_2 C220_2 112.8(4) . . ? 
C226_2 C224_2 C225_2 110.7(4) . . ? 
C220_2 C224_2 C225_2 109.8(4) . . ? 
C228_2 C227_2 N201_2 106.8(3) . . ? 
C227_2 C228_2 N202_2 107.2(3) . . ? 
N201_2 C229_2 N202_2 104.1(3) . . ? 
N201_2 C229_2 Pd2_2 123.3(3) . . ? 
N202_2 C229_2 Pd2_2 130.8(3) . . ? 
C235_2 C230_2 C231_2 123.1(3) . . ? 
C235_2 C230_2 N202_2 119.3(3) . . ? 
C231_2 C230_2 N202_2 117.5(3) . . ? 
C232_2 C231_2 C230_2 116.5(4) . . ? 
C232_2 C231_2 C239_2 120.9(4) . . ? 
C230_2 C231_2 C239_2 122.4(4) . . ? 
C233_2 C232_2 C231_2 121.3(4) . . ? 
C234_2 C233_2 C232_2 120.8(4) . . ? 
C233_2 C234_2 C235_2 121.3(4) . . ? 
C234_2 C235_2 C230_2 116.5(4) . . ? 
C234_2 C235_2 C236_2 119.8(4) . . ? 
C230_2 C235_2 C236_2 123.4(3) . . ? 
C235_2 C236_2 C238_2 110.1(3) . . ? 
C235_2 C236_2 C237_2 113.6(4) . . ? 
C238_2 C236_2 C237_2 109.1(4) . . ? 
C231_2 C239_2 C240_2 110.6(4) . . ? 
C231_2 C239_2 C241_2 113.2(4) . . ? 
C240_2 C239_2 C241_2 108.4(4) . . ? 
  
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
C129_1 Pd1_1 C101_1 C102_1 -63.8(3) . . . . ? 
N103_1 Pd1_1 C101_1 C102_1 123.9(3) . . . . ? 
Cl1_1 Pd1_1 C101_1 C102_1 119(3) . . . . ? 
C129_1 Pd1_1 C101_1 C106_1 127.2(3) . . . . ? 
N103_1 Pd1_1 C101_1 C106_1 -45.1(3) . . . . ? 
Cl1_1 Pd1_1 C101_1 C106_1 -50(4) . . . . ? 
C106_1 C101_1 C102_1 C103_1 -0.2(6) . . . . ? 
Pd1_1 C101_1 C102_1 C103_1 -169.1(3) . . . . ? 
C101_1 Pd1_1 N103_1 C108_1 72.6(2) . . . . ? 
C129_1 Pd1_1 N103_1 C108_1 -6.0(11) . . . . ? 
Cl1_1 Pd1_1 N103_1 C108_1 -107.6(2) . . . . ? 
C101_1 Pd1_1 N103_1 C113_1 -168.2(3) . . . . ? 
C129_1 Pd1_1 N103_1 C113_1 113.2(10) . . . . ? 
Cl1_1 Pd1_1 N103_1 C113_1 11.6(3) . . . . ? 
C101_1 Pd1_1 N103_1 C114_1 -46.6(3) . . . . ? 
C129_1 Pd1_1 N103_1 C114_1 -125.2(10) . . . . ? 
Cl1_1 Pd1_1 N103_1 C114_1 133.2(3) . . . . ? 
C101_1 C102_1 C103_1 C104_1 -2.0(7) . . . . ? 
C102_1 C103_1 C104_1 C105_1 1.5(7) . . . . ? 
C103_1 C104_1 C105_1 C106_1 1.1(7) . . . . ? 
C104_1 C105_1 C106_1 C101_1 -3.3(6) . . . . ? 
C104_1 C105_1 C106_1 C107_1 170.8(4) . . . . ? 
C102_1 C101_1 C106_1 C105_1 2.8(5) . . . . ? 
Pd1_1 C101_1 C106_1 C105_1 172.3(3) . . . . ? 
C102_1 C101_1 C106_1 C107_1 -171.2(4) . . . . ? 
Pd1_1 C101_1 C106_1 C107_1 -1.6(5) . . . . ? 
C105_1 C106_1 C107_1 C112_1 47.1(5) . . . . ? 
C101_1 C106_1 C107_1 C112_1 -138.8(4) . . . . ? 
C105_1 C106_1 C107_1 C108_1 -133.3(4) . . . . ? 
C101_1 C106_1 C107_1 C108_1 40.8(5) . . . . ? 
C112_1 C107_1 C108_1 C109_1 -2.4(5) . . . . ? 
C106_1 C107_1 C108_1 C109_1 178.0(4) . . . . ? 
C112_1 C107_1 C108_1 N103_1 179.6(3) . . . . ? 
C106_1 C107_1 C108_1 N103_1 -0.1(5) . . . . ? 
C113_1 N103_1 C108_1 C109_1 4.9(5) . . . . ? 
C114_1 N103_1 C108_1 C109_1 -113.6(4) . . . . ? 
Pd1_1 N103_1 C108_1 C109_1 123.4(3) . . . . ? 
C113_1 N103_1 C108_1 C107_1 -177.1(3) . . . . ? 
C114_1 N103_1 C108_1 C107_1 64.4(4) . . . . ? 
Pd1_1 N103_1 C108_1 C107_1 -58.5(3) . . . . ? 
C107_1 C108_1 C109_1 C110_1 2.1(6) . . . . ? 
N103_1 C108_1 C109_1 C110_1 -179.9(4) . . . . ? 
C108_1 C109_1 C110_1 C111_1 -0.7(6) . . . . ? 
C109_1 C110_1 C111_1 C112_1 -0.3(7) . . . . ? 
C110_1 C111_1 C112_1 C107_1 0.0(7) . . . . ? 
C108_1 C107_1 C112_1 C111_1 1.3(6) . . . . ? 
C106_1 C107_1 C112_1 C111_1 -179.1(4) . . . . ? 
C129_1 N101_1 C115_1 C116_1 -85.2(5) . . . . ? 
C127_1 N101_1 C115_1 C116_1 86.9(4) . . . . ? 
C129_1 N101_1 C115_1 C120_1 99.3(4) . . . . ? 
C127_1 N101_1 C115_1 C120_1 -88.6(4) . . . . ? 
C120_1 C115_1 C116_1 C117_1 -8.0(5) . . . . ? 
N101_1 C115_1 C116_1 C117_1 176.7(3) . . . . ? 
C120_1 C115_1 C116_1 C121_1 168.0(4) . . . . ? 
N101_1 C115_1 C116_1 C121_1 -7.3(5) . . . . ? 
C115_1 C116_1 C117_1 C118_1 1.9(6) . . . . ? 
C121_1 C116_1 C117_1 C118_1 -174.1(4) . . . . ? 
C116_1 C117_1 C118_1 C119_1 4.0(6) . . . . ? 
C117_1 C118_1 C119_1 C120_1 -4.1(6) . . . . ? 
C116_1 C115_1 C120_1 C119_1 7.8(5) . . . . ? 
N101_1 C115_1 C120_1 C119_1 -176.9(3) . . . . ? 
C116_1 C115_1 C120_1 C124_1 -166.8(3) . . . . ? 
N101_1 C115_1 C120_1 C124_1 8.4(5) . . . . ? 
C118_1 C119_1 C120_1 C115_1 -1.6(6) . . . . ? 
C118_1 C119_1 C120_1 C124_1 173.2(4) . . . . ? 
C117_1 C116_1 C121_1 C123_1 -30.9(5) . . . . ? 
C115_1 C116_1 C121_1 C123_1 153.2(4) . . . . ? 
C117_1 C116_1 C121_1 C122_1 90.2(5) . . . . ? 
C115_1 C116_1 C121_1 C122_1 -85.6(5) . . . . ? 
C115_1 C120_1 C124_1 C126_1 -143.7(4) . . . . ? 
C119_1 C120_1 C124_1 C126_1 41.8(5) . . . . ? 
C115_1 C120_1 C124_1 C125_1 93.0(4) . . . . ? 
C119_1 C120_1 C124_1 C125_1 -81.5(5) . . . . ? 
C129_1 N101_1 C127_1 C128_1 0.9(5) . . . . ? 
C115_1 N101_1 C127_1 C128_1 -172.2(4) . . . . ? 
N101_1 C127_1 C128_1 N102_1 0.0(5) . . . . ? 
C129_1 N102_1 C128_1 C127_1 -0.9(5) . . . . ? 
C130_1 N102_1 C128_1 C127_1 172.4(3) . . . . ? 
C128_1 N102_1 C129_1 N101_1 1.4(4) . . . . ? 
C130_1 N102_1 C129_1 N101_1 -171.6(3) . . . . ? 
C128_1 N102_1 C129_1 Pd1_1 -164.3(3) . . . . ? 
C130_1 N102_1 C129_1 Pd1_1 22.7(5) . . . . ? 
C127_1 N101_1 C129_1 N102_1 -1.4(4) . . . . ? 
C115_1 N101_1 C129_1 N102_1 171.5(3) . . . . ? 
C127_1 N101_1 C129_1 Pd1_1 162.1(3) . . . . ? 
C115_1 N101_1 C129_1 Pd1_1 -25.0(6) . . . . ? 
C101_1 Pd1_1 C129_1 N102_1 -86.7(3) . . . . ? 
N103_1 Pd1_1 C129_1 N102_1 -8.8(12) . . . . ? 
Cl1_1 Pd1_1 C129_1 N102_1 93.2(3) . . . . ? 
C101_1 Pd1_1 C129_1 N101_1 112.3(4) . . . . ? 
N103_1 Pd1_1 C129_1 N101_1 -169.8(8) . . . . ? 
Cl1_1 Pd1_1 C129_1 N101_1 -67.8(4) . . . . ? 
C129_1 N102_1 C130_1 C131_1 -94.1(5) . . . . ? 
C128_1 N102_1 C130_1 C131_1 93.7(4) . . . . ? 
C129_1 N102_1 C130_1 C135_1 89.0(5) . . . . ? 
C128_1 N102_1 C130_1 C135_1 -83.2(5) . . . . ? 
C135_1 C130_1 C131_1 C132_1 -0.8(6) . . . . ? 
N102_1 C130_1 C131_1 C132_1 -177.5(3) . . . . ? 
C135_1 C130_1 C131_1 C139_1 174.4(4) . . . . ? 
N102_1 C130_1 C131_1 C139_1 -2.3(6) . . . . ? 
C130_1 C131_1 C132_1 C133_1 0.5(6) . . . . ? 
C139_1 C131_1 C132_1 C133_1 -174.9(4) . . . . ? 
C131_1 C132_1 C133_1 C134_1 0.2(7) . . . . ? 
C132_1 C133_1 C134_1 C135_1 -0.6(7) . . . . ? 
C133_1 C134_1 C135_1 C130_1 0.3(6) . . . . ? 
C133_1 C134_1 C135_1 C136_1 176.9(4) . . . . ? 
C131_1 C130_1 C135_1 C134_1 0.4(6) . . . . ? 
N102_1 C130_1 C135_1 C134_1 177.2(3) . . . . ? 
C131_1 C130_1 C135_1 C136_1 -176.1(4) . . . . ? 
N102_1 C130_1 C135_1 C136_1 0.7(5) . . . . ? 
C134_1 C135_1 C136_1 C137_1 -81.6(5) . . . . ? 
C130_1 C135_1 C136_1 C137_1 94.8(5) . . . . ? 
C134_1 C135_1 C136_1 C138_1 41.2(6) . . . . ? 
C130_1 C135_1 C136_1 C138_1 -142.4(4) . . . . ? 
C132_1 C131_1 C139_1 C140_1 -47.5(5) . . . . ? 
C130_1 C131_1 C139_1 C140_1 137.4(4) . . . . ? 
C132_1 C131_1 C139_1 C141_1 75.8(5) . . . . ? 
C130_1 C131_1 C139_1 C141_1 -99.3(5) . . . . ? 
C229_2 Pd2_2 C201_2 C202_2 64.4(4) . . . . ? 
N203_2 Pd2_2 C201_2 C202_2 -122.7(4) . . . . ? 
Cl2_2 Pd2_2 C201_2 C202_2 180(51) . . . . ? 
C229_2 Pd2_2 C201_2 C206_2 -126.3(3) . . . . ? 
N203_2 Pd2_2 C201_2 C206_2 46.6(3) . . . . ? 
Cl2_2 Pd2_2 C201_2 C206_2 -11(2) . . . . ? 
C206_2 C201_2 C202_2 C203_2 1.9(6) . . . . ? 
Pd2_2 C201_2 C202_2 C203_2 171.0(4) . . . . ? 
C201_2 Pd2_2 N203_2 C208_2 -73.7(2) . . . . ? 
C229_2 Pd2_2 N203_2 C208_2 0.2(11) . . . . ? 
Cl2_2 Pd2_2 N203_2 C208_2 103.6(2) . . . . ? 
C201_2 Pd2_2 N203_2 C213_2 166.5(3) . . . . ? 
C229_2 Pd2_2 N203_2 C213_2 -119.6(10) . . . . ? 
Cl2_2 Pd2_2 N203_2 C213_2 -16.2(2) . . . . ? 
C201_2 Pd2_2 N203_2 C214_2 45.2(3) . . . . ? 
C229_2 Pd2_2 N203_2 C214_2 119.1(10) . . . . ? 
Cl2_2 Pd2_2 N203_2 C214_2 -137.5(3) . . . . ? 
C201_2 C202_2 C203_2 C204_2 0.7(7) . . . . ? 
C202_2 C203_2 C204_2 C205_2 -2.3(8) . . . . ? 
C203_2 C204_2 C205_2 C206_2 1.3(7) . . . . ? 
C204_2 C205_2 C206_2 C201_2 1.2(6) . . . . ? 
C204_2 C205_2 C206_2 C207_2 -172.9(4) . . . . ? 
C202_2 C201_2 C206_2 C205_2 -2.8(6) . . . . ? 
Pd2_2 C201_2 C206_2 C205_2 -172.8(3) . . . . ? 
C202_2 C201_2 C206_2 C207_2 171.2(4) . . . . ? 
Pd2_2 C201_2 C206_2 C207_2 1.2(5) . . . . ? 
C205_2 C206_2 C207_2 C212_2 -47.2(6) . . . . ? 
C201_2 C206_2 C207_2 C212_2 138.7(4) . . . . ? 
C205_2 C206_2 C207_2 C208_2 131.4(4) . . . . ? 
C201_2 C206_2 C207_2 C208_2 -42.7(5) . . . . ? 
C212_2 C207_2 C208_2 C209_2 0.8(6) . . . . ? 
C206_2 C207_2 C208_2 C209_2 -177.8(4) . . . . ? 
C212_2 C207_2 C208_2 N203_2 -178.7(3) . . . . ? 
C206_2 C207_2 C208_2 N203_2 2.7(5) . . . . ? 
C213_2 N203_2 C208_2 C209_2 -3.1(5) . . . . ? 
C214_2 N203_2 C208_2 C209_2 113.8(4) . . . . ? 
Pd2_2 N203_2 C208_2 C209_2 -122.2(3) . . . . ? 
C213_2 N203_2 C208_2 C207_2 176.4(3) . . . . ? 
C214_2 N203_2 C208_2 C207_2 -66.8(4) . . . . ? 
Pd2_2 N203_2 C208_2 C207_2 57.3(3) . . . . ? 
C207_2 C208_2 C209_2 C210_2 -1.0(6) . . . . ? 
N203_2 C208_2 C209_2 C210_2 178.5(4) . . . . ? 
C208_2 C209_2 C210_2 C211_2 -0.3(6) . . . . ? 
C209_2 C210_2 C211_2 C212_2 1.7(7) . . . . ? 
C210_2 C211_2 C212_2 C207_2 -1.9(7) . . . . ? 
C208_2 C207_2 C212_2 C211_2 0.6(6) . . . . ? 
C206_2 C207_2 C212_2 C211_2 179.2(4) . . . . ? 
C229_2 N201_2 C215_2 C220_2 -90.5(5) . . . . ? 
C227_2 N201_2 C215_2 C220_2 82.1(5) . . . . ? 
C229_2 N201_2 C215_2 C216_2 94.4(5) . . . . ? 
C227_2 N201_2 C215_2 C216_2 -93.0(4) . . . . ? 
C220_2 C215_2 C216_2 C217_2 2.9(6) . . . . ? 
N201_2 C215_2 C216_2 C217_2 177.7(3) . . . . ? 
C220_2 C215_2 C216_2 C221_2 -174.0(4) . . . . ? 
N201_2 C215_2 C216_2 C221_2 0.8(6) . . . . ? 
C215_2 C216_2 C217_2 C218_2 -2.1(6) . . . . ? 
C221_2 C216_2 C217_2 C218_2 174.8(4) . . . . ? 
C216_2 C217_2 C218_2 C219_2 0.6(7) . . . . ? 
C217_2 C218_2 C219_2 C220_2 0.3(7) . . . . ? 
C218_2 C219_2 C220_2 C215_2 0.4(6) . . . . ? 
C218_2 C219_2 C220_2 C224_2 -176.0(4) . . . . ? 
C216_2 C215_2 C220_2 C219_2 -2.1(6) . . . . ? 
N201_2 C215_2 C220_2 C219_2 -176.9(3) . . . . ? 
C216_2 C215_2 C220_2 C224_2 174.2(4) . . . . ? 
N201_2 C215_2 C220_2 C224_2 -0.7(6) . . . . ? 
C215_2 C216_2 C221_2 C222_2 -139.4(4) . . . . ? 
C217_2 C216_2 C221_2 C222_2 43.8(5) . . . . ? 
C215_2 C216_2 C221_2 C223_2 96.5(5) . . . . ? 
C217_2 C216_2 C221_2 C223_2 -80.2(5) . . . . ? 
C219_2 C220_2 C224_2 C226_2 -40.2(6) . . . . ? 
C215_2 C220_2 C224_2 C226_2 143.6(4) . . . . ? 
C219_2 C220_2 C224_2 C225_2 83.8(5) . . . . ? 
C215_2 C220_2 C224_2 C225_2 -92.4(5) . . . . ? 
C229_2 N201_2 C227_2 C228_2 0.9(5) . . . . ? 
C215_2 N201_2 C227_2 C228_2 -172.7(3) . . . . ? 
N201_2 C227_2 C228_2 N202_2 0.2(5) . . . . ? 
C229_2 N202_2 C228_2 C227_2 -1.2(5) . . . . ? 
C230_2 N202_2 C228_2 C227_2 171.8(4) . . . . ? 
C227_2 N201_2 C229_2 N202_2 -1.6(4) . . . . ? 
C215_2 N201_2 C229_2 N202_2 171.6(3) . . . . ? 
C227_2 N201_2 C229_2 Pd2_2 164.9(3) . . . . ? 
C215_2 N201_2 C229_2 Pd2_2 -21.9(5) . . . . ? 
C228_2 N202_2 C229_2 N201_2 1.7(4) . . . . ? 
C230_2 N202_2 C229_2 N201_2 -171.0(3) . . . . ? 
C228_2 N202_2 C229_2 Pd2_2 -163.4(3) . . . . ? 
C230_2 N202_2 C229_2 Pd2_2 24.0(6) . . . . ? 
C201_2 Pd2_2 C229_2 N201_2 84.8(3) . . . . ? 
N203_2 Pd2_2 C229_2 N201_2 11.5(12) . . . . ? 
Cl2_2 Pd2_2 C229_2 N201_2 -92.3(3) . . . . ? 
C201_2 Pd2_2 C229_2 N202_2 -112.6(4) . . . . ? 
N203_2 Pd2_2 C229_2 N202_2 174.1(8) . . . . ? 
Cl2_2 Pd2_2 C229_2 N202_2 70.3(3) . . . . ? 
C229_2 N202_2 C230_2 C235_2 -99.2(4) . . . . ? 
C228_2 N202_2 C230_2 C235_2 88.9(4) . . . . ? 
C229_2 N202_2 C230_2 C231_2 84.8(5) . . . . ? 
C228_2 N202_2 C230_2 C231_2 -87.1(4) . . . . ? 
C235_2 C230_2 C231_2 C232_2 8.2(6) . . . . ? 
N202_2 C230_2 C231_2 C232_2 -175.9(3) . . . . ? 
C235_2 C230_2 C231_2 C239_2 -166.5(4) . . . . ? 
N202_2 C230_2 C231_2 C239_2 9.4(5) . . . . ? 
C230_2 C231_2 C232_2 C233_2 -3.1(6) . . . . ? 
C239_2 C231_2 C232_2 C233_2 171.6(4) . . . . ? 
C231_2 C232_2 C233_2 C234_2 -2.6(6) . . . . ? 
C232_2 C233_2 C234_2 C235_2 3.7(6) . . . . ? 
C233_2 C234_2 C235_2 C230_2 1.1(6) . . . . ? 
C233_2 C234_2 C235_2 C236_2 -173.7(4) . . . . ? 
C231_2 C230_2 C235_2 C234_2 -7.2(5) . . . . ? 
N202_2 C230_2 C235_2 C234_2 177.0(3) . . . . ? 
C231_2 C230_2 C235_2 C236_2 167.4(4) . . . . ? 
N202_2 C230_2 C235_2 C236_2 -8.4(5) . . . . ? 
C234_2 C235_2 C236_2 C238_2 79.9(5) . . . . ? 
C230_2 C235_2 C236_2 C238_2 -94.6(4) . . . . ? 
C234_2 C235_2 C236_2 C237_2 -42.9(5) . . . . ? 
C230_2 C235_2 C236_2 C237_2 142.7(4) . . . . ? 
C232_2 C231_2 C239_2 C240_2 -91.2(5) . . . . ? 
C230_2 C231_2 C239_2 C240_2 83.3(5) . . . . ? 
C232_2 C231_2 C239_2 C241_2 30.7(6) . . . . ? 
C230_2 C231_2 C239_2 C241_2 -154.9(4) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.891 
_diffrn_reflns_theta_full              29.06 
_diffrn_measured_fraction_theta_full   0.891 
_refine_diff_density_max    2.083 
_refine_diff_density_min   -1.821 
_refine_diff_density_rms    0.124 
  

