# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_jxf12

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            yusy1
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'CC90 H66 N24 Pd6'
_chemical_formula_weight         2122.07

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'
O O 0.0106 0.0060 '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                   12.419(3)
_cell_length_b                   16.935(3)
_cell_length_c                   28.984(6)
_cell_angle_alpha                93.21(3)
_cell_angle_beta                 98.64(3)
_cell_angle_gamma                108.50(3)
_cell_volume                     5680(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    393(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3864
_exptl_absorpt_coefficient_mu    0.976
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4374
_exptl_absorpt_correction_T_max  0.6372
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      393(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23204
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0998
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.19
_diffrn_reflns_theta_max         26.38
_reflns_number_total             23204
_reflns_number_gt                14481
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0719P)²+0.1300P] 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     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         23204
_refine_ls_number_parameters     1081
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0974
_refine_ls_R_factor_gt           0.0545
_refine_ls_wR_factor_ref         0.1356
_refine_ls_wR_factor_gt          0.1264
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_restrained_S_all      1.000
_refine_ls_shift/su_max          0.001
_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
C1 C 1.0850(6) -0.0023(4) 0.2804(2) 0.0504(18) Uani 1 1 d . . .
H1 H 1.1010 0.0423 0.2623 0.060 Uiso 1 1 calc R . .
C2 C 1.1711(6) -0.0328(5) 0.2973(2) 0.0550(19) Uani 1 1 d . . .
H2 H 1.2453 -0.0082 0.2914 0.066 Uiso 1 1 calc R . .
C3 C 1.1470(6) -0.1004(5) 0.3231(2) 0.058(2) Uani 1 1 d . . .
H3 H 1.2039 -0.1231 0.3340 0.070 Uiso 1 1 calc R . .
C4 C 1.0370(5) -0.1334(4) 0.3322(2) 0.0427(16) Uani 1 1 d . . .
H4 H 1.0191 -0.1793 0.3493 0.051 Uiso 1 1 calc R . .
C5 C 0.9535(5) -0.0996(4) 0.31646(19) 0.0333(14) Uani 1 1 d . . .
C6 C 0.8360(5) -0.1284(4) 0.32645(18) 0.0322(14) Uani 1 1 d . . .
C7 C 0.7937(6) -0.1918(4) 0.3532(2) 0.0458(17) Uani 1 1 d . . .
H7 H 0.8393 -0.2229 0.3649 0.055 Uiso 1 1 calc R . .
C8 C 0.6824(6) -0.2093(4) 0.3630(2) 0.0481(18) Uani 1 1 d . . .
H8 H 0.6534 -0.2523 0.3810 0.058 Uiso 1 1 calc R . .
C9 C 0.6161(6) -0.1630(4) 0.3458(2) 0.0466(17) Uani 1 1 d . . .
H9 H 0.5431 -0.1720 0.3532 0.056 Uiso 1 1 calc R . .
C10 C 0.6601(5) -0.1021(4) 0.3171(2) 0.0402(15) Uani 1 1 d . . .
H10 H 0.6140 -0.0719 0.3045 0.048 Uiso 1 1 calc R . .
C11 C 1.1232(6) 0.2561(4) 0.3337(3) 0.054(2) Uani 1 1 d . . .
H11 H 1.1293 0.2323 0.3049 0.065 Uiso 1 1 calc R . .
C12 C 1.2221(6) 0.3048(5) 0.3650(3) 0.065(2) Uani 1 1 d . . .
H12 H 1.2945 0.3118 0.3575 0.078 Uiso 1 1 calc R . .
C13 C 1.2130(6) 0.3422(5) 0.4064(3) 0.066(2) Uani 1 1 d . . .
H13 H 1.2786 0.3768 0.4265 0.079 Uiso 1 1 calc R . .
C14 C 1.1085(6) 0.3286(5) 0.4176(2) 0.060(2) Uani 1 1 d . . .
H14 H 1.1013 0.3543 0.4457 0.072 Uiso 1 1 calc R . .
C15 C 1.0101(5) 0.2760(4) 0.3875(2) 0.0436(17) Uani 1 1 d . . .
C16 C 0.8926(5) 0.2492(4) 0.3991(2) 0.0409(16) Uani 1 1 d . . .
C17 C 0.8644(6) 0.2719(4) 0.4414(2) 0.0486(18) Uani 1 1 d . . .
H17 H 0.9193 0.3114 0.4638 0.058 Uiso 1 1 calc R . .
C18 C 0.7558(6) 0.2354(4) 0.4494(2) 0.0540(19) Uani 1 1 d . . .
H18 H 0.7354 0.2514 0.4772 0.065 Uiso 1 1 calc R . .
C19 C 0.6760(5) 0.1756(4) 0.4172(2) 0.0434(17) Uani 1 1 d . . .
H19 H 0.6031 0.1482 0.4237 0.052 Uiso 1 1 calc R . .
C20 C 0.7052(5) 0.1561(4) 0.3746(2) 0.0420(16) Uani 1 1 d . . .
H20 H 0.6508 0.1162 0.3522 0.050 Uiso 1 1 calc R . .
C21 C 0.9452(5) 0.0903(4) 0.1868(2) 0.0445(16) Uani 1 1 d . . .
H21 H 0.9517 0.0441 0.1701 0.053 Uiso 1 1 calc R . .
C22 C 0.9557(5) 0.1662(4) 0.1704(2) 0.0423(16) Uani 1 1 d . . .
H22 H 0.9691 0.1809 0.1409 0.051 Uiso 1 1 calc R . .
C23 C 0.6260(5) 0.1368(3) 0.23677(18) 0.0285(13) Uani 1 1 d . . .
C24 C 0.9422(5) 0.2166(4) 0.2070(2) 0.0353(14) Uani 1 1 d . . .
C25 C 0.9371(5) 0.3031(4) 0.20882(19) 0.0312(13) Uani 1 1 d . . .
C26 C 0.8886(5) 0.3294(4) 0.16842(19) 0.0305(13) Uani 1 1 d . . .
H26 H 0.8630 0.2935 0.1406 0.037 Uiso 1 1 calc R . .
C27 C 0.8783(4) 0.4089(4) 0.16952(18) 0.0276(13) Uani 1 1 d . . .
C28 C 0.9162(4) 0.4612(4) 0.21085(17) 0.0299(13) Uani 1 1 d . . .
H28 H 0.9085 0.5141 0.2117 0.036 Uiso 1 1 calc R . .
C29 C 0.9655(4) 0.4369(3) 0.25121(18) 0.0258(12) Uani 1 1 d . . .
C30 C 0.9764(4) 0.3583(4) 0.24951(19) 0.0296(13) Uani 1 1 d . . .
H30 H 1.0109 0.3419 0.2763 0.036 Uiso 1 1 calc R . .
C31 C 1.0073(5) 0.4884(4) 0.29737(18) 0.0379(15) Uani 1 1 d . . .
C32 C 1.0923(5) 0.4847(4) 0.3339(2) 0.0418(16) Uani 1 1 d . . .
H32 H 1.1424 0.4540 0.3331 0.050 Uiso 1 1 calc R . .
C33 C 1.0866(5) 0.5354(4) 0.3710(2) 0.0455(17) Uani 1 1 d . . .
H33 H 1.1317 0.5434 0.4007 0.055 Uiso 1 1 calc R . .
C34 C 1.1597(5) 0.7484(4) 0.4104(2) 0.0441(17) Uani 1 1 d . . .
H34 H 1.1763 0.7100 0.3909 0.053 Uiso 1 1 calc R . .
C35 C 1.2436(6) 0.8253(5) 0.4272(3) 0.056(2) Uani 1 1 d . . .
H35 H 1.3166 0.8382 0.4192 0.068 Uiso 1 1 calc R . .
C36 C 1.2175(6) 0.8827(5) 0.4559(2) 0.0549(19) Uani 1 1 d . . .
H36 H 1.2732 0.9342 0.4674 0.066 Uiso 1 1 calc R . .
C37 C 1.1041(6) 0.8620(4) 0.4678(2) 0.0509(18) Uani 1 1 d . . .
H37 H 1.0840 0.9000 0.4863 0.061 Uiso 1 1 calc R . .
C38 C 1.0270(6) 0.7844(4) 0.45083(19) 0.0382(15) Uani 1 1 d . . .
C39 C 0.9106(5) 0.7543(4) 0.46136(19) 0.0368(15) Uani 1 1 d . . .
C40 C 0.8655(6) 0.7995(4) 0.4902(2) 0.0456(16) Uani 1 1 d . . .
H40 H 0.9101 0.8528 0.5045 0.055 Uiso 1 1 calc R . .
C41 C 0.7537(7) 0.7639(4) 0.4973(2) 0.0542(19) Uani 1 1 d . . .
H41 H 0.7226 0.7934 0.5166 0.065 Uiso 1 1 calc R . .
C42 C 0.6891(6) 0.6863(4) 0.4766(2) 0.0441(16) Uani 1 1 d . . .
H42 H 0.6142 0.6621 0.4818 0.053 Uiso 1 1 calc R . .
C43 C 0.7349(6) 0.6434(4) 0.44760(19) 0.0407(16) Uani 1 1 d . . .
H43 H 0.6899 0.5905 0.4329 0.049 Uiso 1 1 calc R . .
C44 C 0.5786(5) 0.5858(4) 0.28639(19) 0.0329(14) Uani 1 1 d . . .
H44 H 0.5638 0.5407 0.3041 0.040 Uiso 1 1 calc R . .
C45 C 0.4914(6) 0.6217(4) 0.2737(2) 0.0410(15) Uani 1 1 d . . .
H45 H 0.4192 0.5999 0.2821 0.049 Uiso 1 1 calc R . .
C46 C 0.5168(5) 0.6900(4) 0.24849(19) 0.0374(15) Uani 1 1 d . . .
H46 H 0.4614 0.7153 0.2401 0.045 Uiso 1 1 calc R . .
C47 C 0.6239(5) 0.7211(4) 0.23565(18) 0.0331(14) Uani 1 1 d . . .
H47 H 0.6403 0.7667 0.2183 0.040 Uiso 1 1 calc R . .
C48 C 0.7063(5) 0.6841(3) 0.24864(17) 0.0301(13) Uani 1 1 d . . .
C49 C 0.8221(5) 0.7121(4) 0.23744(17) 0.0299(13) Uani 1 1 d . . .
C50 C 0.8637(5) 0.7801(4) 0.21315(19) 0.0425(16) Uani 1 1 d . . .
H50 H 0.8164 0.8106 0.2024 0.051 Uiso 1 1 calc R . .
C51 C 0.9736(6) 0.8024(5) 0.2051(2) 0.058(2) Uani 1 1 d . . .
H51 H 1.0012 0.8479 0.1885 0.070 Uiso 1 1 calc R . .
C52 C 1.0434(6) 0.7588(5) 0.2210(2) 0.060(2) Uani 1 1 d . . .
H52 H 1.1190 0.7741 0.2157 0.071 Uiso 1 1 calc R . .
C53 C 0.9990(5) 0.6893(4) 0.2459(2) 0.0501(19) Uani 1 1 d . . .
H53 H 1.0457 0.6584 0.2568 0.060 Uiso 1 1 calc R . .
C54 C 0.8266(4) 0.4376(3) 0.12699(18) 0.0262(12) Uani 1 1 d . . .
C55 C 0.8545(5) 0.5170(4) 0.11277(18) 0.0327(14) Uani 1 1 d . . .
H55 H 0.9140 0.5646 0.1274 0.039 Uiso 1 1 calc R . .
C56 C 0.7772(5) 0.5115(3) 0.07294(19) 0.0337(14) Uani 1 1 d . . .
H56 H 0.7738 0.5559 0.0559 0.040 Uiso 1 1 calc R . .
C57 C 0.7035(5) 0.4205(3) -0.04700(19) 0.0315(13) Uani 1 1 d . . .
H57 H 0.7631 0.4380 -0.0212 0.038 Uiso 1 1 calc R . .
C58 C 0.7305(5) 0.4236(4) -0.09124(19) 0.0385(15) Uani 1 1 d . . .
H58 H 0.8069 0.4430 -0.0955 0.046 Uiso 1 1 calc R . .
C59 C 0.6399(6) 0.3966(4) -0.1297(2) 0.0491(18) Uani 1 1 d . . .
H59 H 0.6549 0.3982 -0.1602 0.059 Uiso 1 1 calc R . .
C60 C 0.5274(5) 0.3676(4) -0.1217(2) 0.0395(15) Uani 1 1 d . . .
H60 H 0.4664 0.3498 -0.1470 0.047 Uiso 1 1 calc R . .
C61 C 0.5058(5) 0.3652(3) -0.07643(18) 0.0282(13) Uani 1 1 d . . .
C62 C 0.3914(4) 0.3354(3) -0.06446(16) 0.0222(12) Uani 1 1 d . . .
C63 C 0.2892(5) 0.3033(4) -0.09670(19) 0.0355(14) Uani 1 1 d . . .
H63 H 0.2904 0.3037 -0.1287 0.043 Uiso 1 1 calc R . .
C64 C 0.1877(5) 0.2714(4) -0.0816(2) 0.0365(14) Uani 1 1 d . . .
H64 H 0.1193 0.2503 -0.1032 0.044 Uiso 1 1 calc R . .
C65 C 0.1853(5) 0.2702(3) -0.03445(19) 0.0343(14) Uani 1 1 d . . .
H65 H 0.1163 0.2470 -0.0237 0.041 Uiso 1 1 calc R . .
C66 C 0.2885(5) 0.3044(4) -0.00327(19) 0.0311(13) Uani 1 1 d . . .
H66 H 0.2877 0.3045 0.0288 0.037 Uiso 1 1 calc R . .
C67 C 0.8161(5) 0.2393(4) 0.0490(2) 0.0382(15) Uani 1 1 d . . .
H67 H 0.8498 0.2972 0.0520 0.046 Uiso 1 1 calc R . .
C68 C 0.8706(6) 0.1916(5) 0.0306(2) 0.0485(17) Uani 1 1 d . . .
H68 H 0.9391 0.2164 0.0199 0.058 Uiso 1 1 calc R . .
C69 C 0.8244(6) 0.1063(5) 0.0276(2) 0.0519(18) Uani 1 1 d . . .
H69 H 0.8630 0.0726 0.0162 0.062 Uiso 1 1 calc R . .
C70 C 0.7184(6) 0.0701(4) 0.0419(2) 0.0426(16) Uani 1 1 d . . .
H70 H 0.6851 0.0122 0.0400 0.051 Uiso 1 1 calc R . .
C71 C 0.6653(5) 0.1218(4) 0.05881(19) 0.0337(14) Uani 1 1 d . . .
C72 C 0.5511(5) 0.0918(3) 0.07168(18) 0.0298(13) Uani 1 1 d . . .
C73 C 0.4830(5) 0.0088(4) 0.0689(2) 0.0401(15) Uani 1 1 d . . .
H73 H 0.5117 -0.0334 0.0604 0.048 Uiso 1 1 calc R . .
C74 C 0.3730(5) -0.0117(4) 0.0785(2) 0.0406(15) Uani 1 1 d . . .
H74 H 0.3279 -0.0675 0.0774 0.049 Uiso 1 1 calc R . .
C75 C 0.3297(5) 0.0515(4) 0.08972(19) 0.0358(14) Uani 1 1 d . . .
H75 H 0.2546 0.0388 0.0954 0.043 Uiso 1 1 calc R . .
C76 C 0.4004(5) 0.1341(4) 0.09239(18) 0.0288(13) Uani 1 1 d . . .
H76 H 0.3715 0.1768 0.0994 0.035 Uiso 1 1 calc R . .
C77 C 0.4340(4) 0.4210(3) 0.10637(17) 0.0253(12) Uani 1 1 d . . .
H77 H 0.3975 0.4559 0.0921 0.030 Uiso 1 1 calc R . .
C78 C 0.4460(5) 0.4109(3) 0.15312(18) 0.0282(13) Uani 1 1 d . . .
H78 H 0.4188 0.4358 0.1762 0.034 Uiso 1 1 calc R . .
C79 C 0.5073(4) 0.3558(3) 0.15880(18) 0.0243(12) Uani 1 1 d . . .
C80 C 0.5534(4) 0.3263(3) 0.20185(16) 0.0199(11) Uani 1 1 d . . .
C81 C 0.5630(4) 0.2463(3) 0.20111(17) 0.0247(12) Uani 1 1 d . . .
H81 H 0.5367 0.2105 0.1733 0.030 Uiso 1 1 calc R . .
C82 C 0.6114(4) 0.2191(3) 0.24125(18) 0.0236(12) Uani 1 1 d . . .
C83 C 0.6523(4) 0.2745(3) 0.28233(17) 0.0253(12) Uani 1 1 d . . .
H83 H 0.6866 0.2579 0.3091 0.030 Uiso 1 1 calc R . .
C84 C 0.6425(4) 0.3538(3) 0.28371(17) 0.0246(12) Uani 1 1 d . . .
C85 C 0.5932(4) 0.3793(3) 0.24328(17) 0.0245(12) Uani 1 1 d . . .
H85 H 0.5871 0.4327 0.2442 0.029 Uiso 1 1 calc R . .
C86 C 0.6865(5) 0.4073(3) 0.32890(18) 0.0261(12) Uani 1 1 d . . .
C87 C 0.6864(5) 0.3820(4) 0.37379(18) 0.0339(14) Uani 1 1 d . . .
H87 H 0.6505 0.3286 0.3815 0.041 Uiso 1 1 calc R . .
C88 C 0.7497(5) 0.4514(4) 0.4041(2) 0.0415(16) Uani 1 1 d . . .
H88 H 0.7652 0.4529 0.4366 0.050 Uiso 1 1 calc R . .
C89 C 0.5612(5) 0.0659(4) 0.2061(2) 0.0391(15) Uani 1 1 d . . .
H89 H 0.4946 0.0594 0.1846 0.047 Uiso 1 1 calc R . .
C90 C 0.6144(5) 0.0077(4) 0.2139(2) 0.0411(16) Uani 1 1 d . . .
H90 H 0.5914 -0.0451 0.1971 0.049 Uiso 1 1 calc R . .
N1 N 0.7669(4) -0.0848(3) 0.30677(15) 0.0317(11) Uani 1 1 d . . .
N2 N 0.9769(4) -0.0359(3) 0.28962(16) 0.0338(11) Uani 1 1 d . . .
N3 N 0.7035(4) 0.0370(3) 0.24869(16) 0.0341(12) Uani 1 1 d . . .
N4 N 0.7104(4) 0.1176(3) 0.26394(15) 0.0320(11) Uani 1 1 d . . .
N5 N 0.8115(4) 0.1944(3) 0.36545(15) 0.0326(11) Uani 1 1 d . . .
N6 N 1.0173(4) 0.2438(3) 0.34576(19) 0.0447(14) Uani 1 1 d . . .
N7 N 0.9242(4) 0.1708(3) 0.24397(17) 0.0340(12) Uani 1 1 d . . .
N8 N 0.9241(4) 0.0930(3) 0.23065(18) 0.0417(13) Uani 1 1 d . . .
N9 N 0.7861(4) 0.5168(3) 0.37998(14) 0.0307(11) Uani 1 1 d . . .
N10 N 0.7458(4) 0.4894(3) 0.33344(14) 0.0295(11) Uani 1 1 d . . .
N11 N 0.8912(4) 0.6679(3) 0.25380(14) 0.0312(11) Uani 1 1 d . . .
N12 N 0.6832(4) 0.6157(3) 0.27346(14) 0.0279(11) Uani 1 1 d . . .
N13 N 1.0073(4) 0.5719(3) 0.35894(16) 0.0413(13) Uani 1 1 d . . .
N14 N 0.9570(4) 0.5428(3) 0.31264(14) 0.0305(11) Uani 1 1 d . . .
N15 N 0.8450(4) 0.6772(3) 0.44022(15) 0.0306(11) Uani 1 1 d . . .
N16 N 1.0537(4) 0.7293(3) 0.42250(16) 0.0355(12) Uani 1 1 d . . .
N17 N 0.4820(4) 0.3736(3) 0.08411(14) 0.0240(10) Uani 1 1 d . . .
N18 N 0.5276(3) 0.3327(3) 0.11642(13) 0.0218(10) Uani 1 1 d . . .
N19 N 0.3886(4) 0.3370(3) -0.01756(15) 0.0303(11) Uani 1 1 d . . .
N20 N 0.5952(4) 0.3934(3) -0.03966(14) 0.0245(10) Uani 1 1 d . . .
N21 N 0.7061(4) 0.4313(3) 0.06213(14) 0.0278(11) Uani 1 1 d . . .
N22 N 0.7361(4) 0.3867(3) 0.09563(14) 0.0235(10) Uani 1 1 d . . .
N23 N 0.5088(4) 0.1538(3) 0.08509(14) 0.0246(10) Uani 1 1 d . . .
N24 N 0.7145(4) 0.2062(3) 0.06337(15) 0.0304(11) Uani 1 1 d . . .
Pd1 Pd 0.62412(3) 0.27061(2) 0.092017(13) 0.02199(10) Uani 1 1 d . . .
Pd2 Pd 0.54455(4) 0.38483(3) 0.023448(13) 0.02390(11) Uani 1 1 d . . .
Pd3 Pd 0.81716(4) 0.57362(3) 0.290934(13) 0.02581(11) Uani 1 1 d . . .
Pd4 Pd 0.92248(4) 0.62152(3) 0.399440(14) 0.03118(12) Uani 1 1 d . . .
Pd5 Pd 0.84245(4) 0.00275(3) 0.268191(17) 0.03559(13) Uani 1 1 d . . .
Pd6 Pd 0.86486(4) 0.18242(3) 0.303796(15) 0.03291(12) Uani 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
C1 N2 1.356(8) . ?
C1 C2 1.368(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.380(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.374(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.371(7) . ?
C4 H4 0.9300 . ?
C5 N2 1.348(7) . ?
C5 C6 1.464(8) . ?
C6 C7 1.375(8) . ?
C6 N1 1.381(7) . ?
C7 C8 1.395(9) . ?
C7 H7 0.9300 . ?
C8 C9 1.369(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.389(8) . ?
C9 H9 0.9300 . ?
C10 N1 1.348(7) . ?
C10 H10 0.9300 . ?
C11 N6 1.367(8) . ?
C11 C12 1.396(10) . ?
C11 H11 0.9300 . ?
C12 C13 1.362(11) . ?
C12 H12 0.9300 . ?
C13 C14 1.338(10) . ?
C13 H13 0.9300 . ?
C14 C15 1.396(8) . ?
C14 H14 0.9300 . ?
C15 N6 1.327(8) . ?
C15 C16 1.480(9) . ?
C16 N5 1.355(7) . ?
C16 C17 1.391(9) . ?
C17 C18 1.355(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.363(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.389(8) . ?
C19 H19 0.9300 . ?
C20 N5 1.346(7) . ?
C20 H20 0.9300 . ?
C21 N8 1.336(8) . ?
C21 C22 1.369(8) . ?
C21 H21 0.9300 . ?
C22 C24 1.386(8) . ?
C22 H22 0.9300 . ?
C23 N4 1.350(6) . ?
C23 C89 1.391(8) . ?
C23 C82 1.462(7) . ?
C24 N7 1.364(7) . ?
C24 C25 1.484(8) . ?
C25 C30 1.384(8) . ?
C25 C26 1.395(7) . ?
C26 C27 1.392(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.374(7) . ?
C27 C54 1.481(7) . ?
C28 C29 1.382(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.380(7) . ?
C29 C31 1.481(8) . ?
C30 H30 0.9300 . ?
C31 N14 1.356(7) . ?
C31 C32 1.398(7) . ?
C32 C33 1.364(8) . ?
C32 H32 0.9300 . ?
C33 N13 1.335(7) . ?
C33 H33 0.9300 . ?
C34 N16 1.357(8) . ?
C34 C35 1.390(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.390(10) . ?
C35 H35 0.9300 . ?
C36 C37 1.439(10) . ?
C36 H36 0.9300 . ?
C37 C38 1.370(8) . ?
C37 H37 0.9300 . ?
C38 N16 1.358(8) . ?
C38 C39 1.458(9) . ?
C39 N15 1.353(7) . ?
C39 C40 1.392(9) . ?
C40 C41 1.379(9) . ?
C40 H40 0.9300 . ?
C41 C42 1.353(9) . ?
C41 H41 0.9300 . ?
C42 C43 1.376(8) . ?
C42 H42 0.9300 . ?
C43 N15 1.360(8) . ?
C43 H43 0.9300 . ?
C44 N12 1.354(7) . ?
C44 C45 1.414(8) . ?
C44 H44 0.9300 . ?
C45 C46 1.379(8) . ?
C45 H45 0.9300 . ?
C46 C47 1.384(8) . ?
C46 H46 0.9300 . ?
C47 C48 1.378(8) . ?
C47 H47 0.9300 . ?
C48 N12 1.373(7) . ?
C48 C49 1.457(8) . ?
C49 N11 1.359(7) . ?
C49 C50 1.383(8) . ?
C50 C51 1.356(9) . ?
C50 H50 0.9300 . ?
C51 C52 1.354(10) . ?
C51 H51 0.9300 . ?
C52 C53 1.419(9) . ?
C52 H52 0.9300 . ?
C53 N11 1.330(7) . ?
C53 H53 0.9300 . ?
C54 N22 1.350(6) . ?
C54 C55 1.381(7) . ?
C55 C56 1.365(7) . ?
C55 H55 0.9300 . ?
C56 N21 1.353(7) . ?
C56 H56 0.9300 . ?
C57 N20 1.331(7) . ?
C57 C58 1.373(7) . ?
C57 H57 0.9300 . ?
C58 C59 1.399(8) . ?
C58 H58 0.9300 . ?
C59 C60 1.385(8) . ?
C59 H59 0.9300 . ?
C60 C61 1.379(7) . ?
C60 H60 0.9300 . ?
C61 N20 1.359(7) . ?
C61 C62 1.451(7) . ?
C62 N19 1.364(6) . ?
C62 C63 1.389(7) . ?
C63 C64 1.354(8) . ?
C63 H63 0.9300 . ?
C64 C65 1.371(8) . ?
C64 H64 0.9300 . ?
C65 C66 1.385(7) . ?
C65 H65 0.9300 . ?
C66 N19 1.330(7) . ?
C66 H66 0.9300 . ?
C67 C68 1.342(8) . ?
C67 N24 1.348(7) . ?
C67 H67 0.9300 . ?
C68 C69 1.367(9) . ?
C68 H68 0.9300 . ?
C69 C70 1.400(9) . ?
C69 H69 0.9300 . ?
C70 C71 1.363(8) . ?
C70 H70 0.9300 . ?
C71 N24 1.354(7) . ?
C71 C72 1.460(8) . ?
C72 N23 1.376(7) . ?
C72 C73 1.383(8) . ?
C73 C74 1.374(8) . ?
C73 H73 0.9300 . ?
C74 C75 1.385(8) . ?
C74 H74 0.9300 . ?
C75 C76 1.386(8) . ?
C75 H75 0.9300 . ?
C76 N23 1.333(6) . ?
C76 H76 0.9300 . ?
C77 N17 1.333(6) . ?
C77 C78 1.367(7) . ?
C77 H77 0.9300 . ?
C78 C79 1.381(7) . ?
C78 H78 0.9300 . ?
C79 N18 1.351(6) . ?
C79 C80 1.474(7) . ?
C80 C85 1.383(7) . ?
C80 C81 1.395(7) . ?
C81 C82 1.398(7) . ?
C81 H81 0.9300 . ?
C82 C83 1.395(7) . ?
C83 C84 1.385(7) . ?
C83 H83 0.9300 . ?
C84 C85 1.394(7) . ?
C84 C86 1.474(7) . ?
C85 H85 0.9300 . ?
C86 N10 1.339(7) . ?
C86 C87 1.392(7) . ?
C87 C88 1.364(8) . ?
C87 H87 0.9300 . ?
C88 N9 1.336(7) . ?
C88 H88 0.9300 . ?
C89 C90 1.361(8) . ?
C89 H89 0.9300 . ?
C90 N3 1.322(7) . ?
C90 H90 0.9300 . ?
N1 Pd5 1.987(5) . ?
N2 Pd5 2.007(4) . ?
N3 N4 1.383(6) . ?
N3 Pd5 2.003(4) . ?
N4 Pd6 2.019(5) . ?
N5 Pd6 2.018(5) . ?
N6 Pd6 2.015(5) . ?
N7 N8 1.351(6) . ?
N7 Pd6 2.007(5) . ?
N8 Pd5 2.021(5) . ?
N9 N10 1.366(6) . ?
N9 Pd4 2.006(5) . ?
N10 Pd3 2.015(4) . ?
N11 Pd3 2.028(4) . ?
N12 Pd3 2.018(4) . ?
N13 N14 1.383(6) . ?
N13 Pd4 2.004(5) . ?
N14 Pd3 1.992(4) . ?
N15 Pd4 2.001(5) . ?
N16 Pd4 2.021(5) . ?
N17 N18 1.356(5) . ?
N17 Pd2 2.021(4) . ?
N18 Pd1 2.004(4) . ?
N19 Pd2 2.006(5) . ?
N20 Pd2 2.020(4) . ?
N21 N22 1.343(5) . ?
N21 Pd2 2.031(4) . ?
N22 Pd1 2.003(4) . ?
N23 Pd1 2.019(4) . ?
N24 Pd1 2.023(5) . ?
Pd1 Pd2 3.1178(10) . ?
Pd3 Pd4 3.1725(11) . ?
Pd5 Pd6 3.0701(10) . ?

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
N2 C1 C2 121.1(6) . . ?
N2 C1 H1 119.5 . . ?
C2 C1 H1 119.5 . . ?
C1 C2 C3 119.6(6) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C4 C3 C2 118.4(6) . . ?
C4 C3 H3 120.8 . . ?
C2 C3 H3 120.8 . . ?
C5 C4 C3 120.8(6) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
N2 C5 C4 120.1(5) . . ?
N2 C5 C6 115.6(5) . . ?
C4 C5 C6 124.3(5) . . ?
C7 C6 N1 120.6(6) . . ?
C7 C6 C5 125.5(5) . . ?
N1 C6 C5 113.9(5) . . ?
C6 C7 C8 119.9(6) . . ?
C6 C7 H7 120.0 . . ?
C8 C7 H7 120.0 . . ?
C9 C8 C7 119.6(6) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C8 C9 C10 118.6(6) . . ?
C8 C9 H9 120.7 . . ?
C10 C9 H9 120.7 . . ?
N1 C10 C9 122.7(6) . . ?
N1 C10 H10 118.6 . . ?
C9 C10 H10 118.6 . . ?
N6 C11 C12 119.3(7) . . ?
N6 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C13 C12 C11 120.4(7) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C14 C13 C12 119.2(7) . . ?
C14 C13 H13 120.4 . . ?
C12 C13 H13 120.4 . . ?
C13 C14 C15 120.4(8) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
N6 C15 C14 120.8(6) . . ?
N6 C15 C16 114.6(5) . . ?
C14 C15 C16 124.6(7) . . ?
N5 C16 C17 120.6(6) . . ?
N5 C16 C15 114.1(6) . . ?
C17 C16 C15 125.1(6) . . ?
C18 C17 C16 119.0(6) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C17 C18 C19 120.7(7) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C18 C19 C20 119.0(6) . . ?
C18 C19 H19 120.5 . . ?
C20 C19 H19 120.5 . . ?
N5 C20 C19 120.7(6) . . ?
N5 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
N8 C21 C22 109.4(6) . . ?
N8 C21 H21 125.3 . . ?
C22 C21 H21 125.3 . . ?
C21 C22 C24 105.9(6) . . ?
C21 C22 H22 127.1 . . ?
C24 C22 H22 127.1 . . ?
N4 C23 C89 107.5(5) . . ?
N4 C23 C82 123.2(5) . . ?
C89 C23 C82 129.3(5) . . ?
N7 C24 C22 108.1(5) . . ?
N7 C24 C25 121.3(5) . . ?
C22 C24 C25 130.5(5) . . ?
C30 C25 C26 118.6(5) . . ?
C30 C25 C24 122.4(5) . . ?
C26 C25 C24 118.9(5) . . ?
C27 C26 C25 120.3(5) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C28 C27 C26 119.3(5) . . ?
C28 C27 C54 119.7(5) . . ?
C26 C27 C54 121.0(5) . . ?
C27 C28 C29 121.5(6) . . ?
C27 C28 H28 119.3 . . ?
C29 C28 H28 119.3 . . ?
C30 C29 C28 118.7(5) . . ?
C30 C29 C31 116.0(5) . . ?
C28 C29 C31 125.3(5) . . ?
C29 C30 C25 121.6(5) . . ?
C29 C30 H30 119.2 . . ?
C25 C30 H30 119.2 . . ?
N14 C31 C32 108.3(5) . . ?
N14 C31 C29 122.9(5) . . ?
C32 C31 C29 128.5(6) . . ?
C33 C32 C31 105.7(5) . . ?
C33 C32 H32 127.2 . . ?
C31 C32 H32 127.2 . . ?
N13 C33 C32 110.6(5) . . ?
N13 C33 H33 124.7 . . ?
C32 C33 H33 124.7 . . ?
N16 C34 C35 120.1(7) . . ?
N16 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C36 C35 C34 119.5(7) . . ?
C36 C35 H35 120.3 . . ?
C34 C35 H35 120.3 . . ?
C35 C36 C37 119.7(7) . . ?
C35 C36 H36 120.1 . . ?
C37 C36 H36 120.1 . . ?
C38 C37 C36 117.4(7) . . ?
C38 C37 H37 121.3 . . ?
C36 C37 H37 121.3 . . ?
N16 C38 C37 122.1(6) . . ?
N16 C38 C39 114.8(5) . . ?
C37 C38 C39 123.1(6) . . ?
N15 C39 C40 120.3(6) . . ?
N15 C39 C38 115.0(5) . . ?
C40 C39 C38 124.6(6) . . ?
C41 C40 C39 118.9(6) . . ?
C41 C40 H40 120.5 . . ?
C39 C40 H40 120.5 . . ?
C42 C41 C40 120.4(7) . . ?
C42 C41 H41 119.8 . . ?
C40 C41 H41 119.8 . . ?
C41 C42 C43 119.7(6) . . ?
C41 C42 H42 120.2 . . ?
C43 C42 H42 120.2 . . ?
N15 C43 C42 120.9(6) . . ?
N15 C43 H43 119.5 . . ?
C42 C43 H43 119.5 . . ?
N12 C44 C45 121.7(5) . . ?
N12 C44 H44 119.2 . . ?
C45 C44 H44 119.2 . . ?
C46 C45 C44 117.9(6) . . ?
C46 C45 H45 121.0 . . ?
C44 C45 H45 121.0 . . ?
C45 C46 C47 120.5(6) . . ?
C45 C46 H46 119.7 . . ?
C47 C46 H46 119.7 . . ?
C48 C47 C46 119.6(5) . . ?
C48 C47 H47 120.2 . . ?
C46 C47 H47 120.2 . . ?
N12 C48 C47 121.1(5) . . ?
N12 C48 C49 114.6(5) . . ?
C47 C48 C49 124.3(5) . . ?
N11 C49 C50 120.3(5) . . ?
N11 C49 C48 115.5(5) . . ?
C50 C49 C48 124.2(5) . . ?
C51 C50 C49 119.9(6) . . ?
C51 C50 H50 120.0 . . ?
C49 C50 H50 120.0 . . ?
C52 C51 C50 120.4(6) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.8 . . ?
C51 C52 C53 118.7(6) . . ?
C51 C52 H52 120.6 . . ?
C53 C52 H52 120.6 . . ?
N11 C53 C52 120.6(7) . . ?
N11 C53 H53 119.7 . . ?
C52 C53 H53 119.7 . . ?
N22 C54 C55 107.9(4) . . ?
N22 C54 C27 123.1(5) . . ?
C55 C54 C27 129.0(5) . . ?
C56 C55 C54 106.2(5) . . ?
C56 C55 H55 126.9 . . ?
C54 C55 H55 126.9 . . ?
N21 C56 C55 109.2(5) . . ?
N21 C56 H56 125.4 . . ?
C55 C56 H56 125.4 . . ?
N20 C57 C58 122.5(5) . . ?
N20 C57 H57 118.8 . . ?
C58 C57 H57 118.8 . . ?
C57 C58 C59 118.1(6) . . ?
C57 C58 H58 121.0 . . ?
C59 C58 H58 121.0 . . ?
C60 C59 C58 119.1(6) . . ?
C60 C59 H59 120.5 . . ?
C58 C59 H59 120.5 . . ?
C61 C60 C59 120.2(6) . . ?
C61 C60 H60 119.9 . . ?
C59 C60 H60 119.9 . . ?
N20 C61 C60 119.6(5) . . ?
N20 C61 C62 116.0(4) . . ?
C60 C61 C62 124.3(5) . . ?
N19 C62 C63 119.7(5) . . ?
N19 C62 C61 115.2(4) . . ?
C63 C62 C61 125.0(5) . . ?
C64 C63 C62 120.0(5) . . ?
C64 C63 H63 120.0 . . ?
C62 C63 H63 120.0 . . ?
C63 C64 C65 120.3(5) . . ?
C63 C64 H64 119.9 . . ?
C65 C64 H64 119.9 . . ?
C64 C65 C66 118.2(5) . . ?
C64 C65 H65 120.9 . . ?
C66 C65 H65 120.9 . . ?
N19 C66 C65 122.3(5) . . ?
N19 C66 H66 118.9 . . ?
C65 C66 H66 118.9 . . ?
C68 C67 N24 122.4(6) . . ?
C68 C67 H67 118.8 . . ?
N24 C67 H67 118.8 . . ?
C67 C68 C69 119.5(6) . . ?
C67 C68 H68 120.3 . . ?
C69 C68 H68 120.3 . . ?
C68 C69 C70 119.4(6) . . ?
C68 C69 H69 120.3 . . ?
C70 C69 H69 120.3 . . ?
C71 C70 C69 118.3(6) . . ?
C71 C70 H70 120.8 . . ?
C69 C70 H70 120.8 . . ?
N24 C71 C70 121.6(6) . . ?
N24 C71 C72 114.9(5) . . ?
C70 C71 C72 123.5(6) . . ?
N23 C72 C73 119.5(5) . . ?
N23 C72 C71 114.9(5) . . ?
C73 C72 C71 125.5(5) . . ?
C74 C73 C72 120.2(6) . . ?
C74 C73 H73 119.9 . . ?
C72 C73 H73 119.9 . . ?
C73 C74 C75 119.6(6) . . ?
C73 C74 H74 120.2 . . ?
C75 C74 H74 120.2 . . ?
C74 C75 C76 118.7(5) . . ?
C74 C75 H75 120.6 . . ?
C76 C75 H75 120.6 . . ?
N23 C76 C75 121.7(5) . . ?
N23 C76 H76 119.2 . . ?
C75 C76 H76 119.2 . . ?
N17 C77 C78 110.2(4) . . ?
N17 C77 H77 124.9 . . ?
C78 C77 H77 124.9 . . ?
C77 C78 C79 105.2(5) . . ?
C77 C78 H78 127.4 . . ?
C79 C78 H78 127.4 . . ?
N18 C79 C78 108.7(4) . . ?
N18 C79 C80 121.2(4) . . ?
C78 C79 C80 130.1(5) . . ?
C85 C80 C81 118.9(4) . . ?
C85 C80 C79 120.1(5) . . ?
C81 C80 C79 120.9(4) . . ?
C80 C81 C82 121.4(5) . . ?
C80 C81 H81 119.3 . . ?
C82 C81 H81 119.3 . . ?
C83 C82 C81 118.4(5) . . ?
C83 C82 C23 123.3(5) . . ?
C81 C82 C23 118.0(5) . . ?
C84 C83 C82 120.9(5) . . ?
C84 C83 H83 119.6 . . ?
C82 C83 H83 119.6 . . ?
C83 C84 C85 119.6(5) . . ?
C83 C84 C86 116.9(4) . . ?
C85 C84 C86 123.4(5) . . ?
C80 C85 C84 120.8(5) . . ?
C80 C85 H85 119.6 . . ?
C84 C85 H85 119.6 . . ?
N10 C86 C87 107.7(5) . . ?
N10 C86 C84 124.5(5) . . ?
C87 C86 C84 127.5(5) . . ?
C88 C87 C86 106.2(5) . . ?
C88 C87 H87 126.9 . . ?
C86 C87 H87 126.9 . . ?
N9 C88 C87 109.6(5) . . ?
N9 C88 H88 125.2 . . ?
C87 C88 H88 125.2 . . ?
C90 C89 C23 106.4(5) . . ?
C90 C89 H89 126.8 . . ?
C23 C89 H89 126.8 . . ?
N3 C90 C89 110.3(6) . . ?
N3 C90 H90 124.9 . . ?
C89 C90 H90 124.9 . . ?
C10 N1 C6 118.4(5) . . ?
C10 N1 Pd5 127.0(4) . . ?
C6 N1 Pd5 114.6(4) . . ?
C5 N2 C1 119.9(5) . . ?
C5 N2 Pd5 114.3(4) . . ?
C1 N2 Pd5 125.8(4) . . ?
C90 N3 N4 107.5(4) . . ?
C90 N3 Pd5 132.4(4) . . ?
N4 N3 Pd5 117.4(3) . . ?
C23 N4 N3 108.2(4) . . ?
C23 N4 Pd6 136.0(4) . . ?
N3 N4 Pd6 112.2(3) . . ?
C20 N5 C16 119.6(5) . . ?
C20 N5 Pd6 126.3(4) . . ?
C16 N5 Pd6 114.1(4) . . ?
C15 N6 C11 119.6(6) . . ?
C15 N6 Pd6 115.1(4) . . ?
C11 N6 Pd6 125.2(5) . . ?
N8 N7 C24 107.8(5) . . ?
N8 N7 Pd6 115.0(4) . . ?
C24 N7 Pd6 135.3(4) . . ?
C21 N8 N7 108.7(5) . . ?
C21 N8 Pd5 132.0(4) . . ?
N7 N8 Pd5 115.1(4) . . ?
C88 N9 N10 107.6(5) . . ?
C88 N9 Pd4 128.2(4) . . ?
N10 N9 Pd4 119.9(3) . . ?
C86 N10 N9 109.0(4) . . ?
C86 N10 Pd3 136.4(3) . . ?
N9 N10 Pd3 113.0(3) . . ?
C53 N11 C49 120.0(5) . . ?
C53 N11 Pd3 125.4(4) . . ?
C49 N11 Pd3 114.6(4) . . ?
C44 N12 C48 119.1(5) . . ?
C44 N12 Pd3 125.9(4) . . ?
C48 N12 Pd3 114.8(4) . . ?
C33 N13 N14 107.5(5) . . ?
C33 N13 Pd4 129.7(4) . . ?
N14 N13 Pd4 118.8(4) . . ?
C31 N14 N13 107.9(4) . . ?
C31 N14 Pd3 137.0(4) . . ?
N13 N14 Pd3 113.9(4) . . ?
C39 N15 C43 119.8(5) . . ?
C39 N15 Pd4 115.2(4) . . ?
C43 N15 Pd4 125.1(4) . . ?
C34 N16 C38 121.2(6) . . ?
C34 N16 Pd4 124.4(5) . . ?
C38 N16 Pd4 114.4(4) . . ?
C77 N17 N18 107.8(4) . . ?
C77 N17 Pd2 131.0(3) . . ?
N18 N17 Pd2 116.9(3) . . ?
C79 N18 N17 108.1(4) . . ?
C79 N18 Pd1 136.8(3) . . ?
N17 N18 Pd1 114.3(3) . . ?
C66 N19 C62 119.5(5) . . ?
C66 N19 Pd2 126.5(4) . . ?
C62 N19 Pd2 113.9(3) . . ?
C57 N20 C61 120.5(4) . . ?
C57 N20 Pd2 126.2(4) . . ?
C61 N20 Pd2 113.2(3) . . ?
N22 N21 C56 107.6(4) . . ?
N22 N21 Pd2 117.9(3) . . ?
C56 N21 Pd2 129.9(4) . . ?
N21 N22 C54 109.2(4) . . ?
N21 N22 Pd1 113.6(3) . . ?
C54 N22 Pd1 136.4(3) . . ?
C76 N23 C72 120.2(5) . . ?
C76 N23 Pd1 125.8(4) . . ?
C72 N23 Pd1 114.1(3) . . ?
C67 N24 C71 118.7(5) . . ?
C67 N24 Pd1 126.4(4) . . ?
C71 N24 Pd1 114.9(4) . . ?
N22 Pd1 N18 82.18(17) . . ?
N22 Pd1 N23 177.28(16) . . ?
N18 Pd1 N23 98.17(17) . . ?
N22 Pd1 N24 99.04(18) . . ?
N18 Pd1 N24 176.30(16) . . ?
N23 Pd1 N24 80.44(18) . . ?
N22 Pd1 Pd2 65.16(12) . . ?
N18 Pd1 Pd2 64.74(11) . . ?
N23 Pd1 Pd2 112.52(12) . . ?
N24 Pd1 Pd2 112.54(12) . . ?
N19 Pd2 N20 81.53(18) . . ?
N19 Pd2 N17 94.35(18) . . ?
N20 Pd2 N17 175.85(17) . . ?
N19 Pd2 N21 176.95(18) . . ?
N20 Pd2 N21 95.70(17) . . ?
N17 Pd2 N21 88.43(17) . . ?
N19 Pd2 Pd1 117.91(12) . . ?
N20 Pd2 Pd1 119.34(12) . . ?
N17 Pd2 Pd1 63.02(11) . . ?
N21 Pd2 Pd1 62.34(12) . . ?
N14 Pd3 N10 83.29(18) . . ?
N14 Pd3 N12 174.16(18) . . ?
N10 Pd3 N12 98.03(18) . . ?
N14 Pd3 N11 97.62(19) . . ?
N10 Pd3 N11 173.92(18) . . ?
N12 Pd3 N11 80.47(18) . . ?
N14 Pd3 Pd4 64.56(13) . . ?
N10 Pd3 Pd4 64.53(12) . . ?
N12 Pd3 Pd4 110.82(12) . . ?
N11 Pd3 Pd4 110.38(12) . . ?
N15 Pd4 N13 176.8(2) . . ?
N15 Pd4 N9 95.40(19) . . ?
N13 Pd4 N9 87.7(2) . . ?
N15 Pd4 N16 80.5(2) . . ?
N13 Pd4 N16 96.3(2) . . ?
N9 Pd4 N16 175.9(2) . . ?
N15 Pd4 Pd3 119.05(12) . . ?
N13 Pd4 Pd3 62.01(13) . . ?
N9 Pd4 Pd3 61.81(12) . . ?
N16 Pd4 Pd3 120.82(13) . . ?
N1 Pd5 N3 95.53(18) . . ?
N1 Pd5 N2 81.54(19) . . ?
N3 Pd5 N2 177.07(19) . . ?
N1 Pd5 N8 178.08(19) . . ?
N3 Pd5 N8 85.91(19) . . ?
N2 Pd5 N8 97.02(19) . . ?
N1 Pd5 Pd6 115.11(13) . . ?
N3 Pd5 Pd6 64.29(14) . . ?
N2 Pd5 Pd6 116.93(14) . . ?
N8 Pd5 Pd6 64.38(15) . . ?
N7 Pd6 N6 98.1(2) . . ?
N7 Pd6 N5 177.66(18) . . ?
N6 Pd6 N5 79.8(2) . . ?
N7 Pd6 N4 83.61(18) . . ?
N6 Pd6 N4 177.50(19) . . ?
N5 Pd6 N4 98.46(18) . . ?
N7 Pd6 Pd5 64.91(13) . . ?
N6 Pd6 Pd5 112.95(16) . . ?
N5 Pd6 Pd5 114.90(14) . . ?
N4 Pd6 Pd5 66.09(13) . . ?

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
N2 C1 C2 C3 1.8(11) . . . . ?
C1 C2 C3 C4 -2.0(11) . . . . ?
C2 C3 C4 C5 -0.6(11) . . . . ?
C3 C4 C5 N2 3.5(10) . . . . ?
C3 C4 C5 C6 -177.0(6) . . . . ?
N2 C5 C6 C7 -179.5(6) . . . . ?
C4 C5 C6 C7 1.0(10) . . . . ?
N2 C5 C6 N1 -0.4(7) . . . . ?
C4 C5 C6 N1 -179.9(6) . . . . ?
N1 C6 C7 C8 -3.7(9) . . . . ?
C5 C6 C7 C8 175.3(6) . . . . ?
C6 C7 C8 C9 -0.2(10) . . . . ?
C7 C8 C9 C10 3.1(10) . . . . ?
C8 C9 C10 N1 -2.3(10) . . . . ?
N6 C11 C12 C13 -2.4(10) . . . . ?
C11 C12 C13 C14 3.0(11) . . . . ?
C12 C13 C14 C15 0.7(11) . . . . ?
C13 C14 C15 N6 -5.2(10) . . . . ?
C13 C14 C15 C16 172.7(6) . . . . ?
N6 C15 C16 N5 1.5(8) . . . . ?
C14 C15 C16 N5 -176.5(6) . . . . ?
N6 C15 C16 C17 177.2(6) . . . . ?
C14 C15 C16 C17 -0.8(10) . . . . ?
N5 C16 C17 C18 2.9(9) . . . . ?
C15 C16 C17 C18 -172.6(6) . . . . ?
C16 C17 C18 C19 2.0(10) . . . . ?
C17 C18 C19 C20 -4.1(10) . . . . ?
C18 C19 C20 N5 1.4(9) . . . . ?
N8 C21 C22 C24 1.2(7) . . . . ?
C21 C22 C24 N7 0.0(7) . . . . ?
C21 C22 C24 C25 -175.4(6) . . . . ?
N7 C24 C25 C30 36.2(8) . . . . ?
C22 C24 C25 C30 -148.9(6) . . . . ?
N7 C24 C25 C26 -142.2(5) . . . . ?
C22 C24 C25 C26 32.6(9) . . . . ?
C30 C25 C26 C27 -1.2(8) . . . . ?
C24 C25 C26 C27 177.4(5) . . . . ?
C25 C26 C27 C28 -0.1(8) . . . . ?
C25 C26 C27 C54 -179.8(5) . . . . ?
C26 C27 C28 C29 0.7(8) . . . . ?
C54 C27 C28 C29 -179.6(5) . . . . ?
C27 C28 C29 C30 0.0(8) . . . . ?
C27 C28 C29 C31 -179.1(5) . . . . ?
C28 C29 C30 C25 -1.3(8) . . . . ?
C31 C29 C30 C25 177.9(5) . . . . ?
C26 C25 C30 C29 1.9(8) . . . . ?
C24 C25 C30 C29 -176.6(5) . . . . ?
C30 C29 C31 N14 -145.9(5) . . . . ?
C28 C29 C31 N14 33.2(9) . . . . ?
C30 C29 C31 C32 26.6(9) . . . . ?
C28 C29 C31 C32 -154.2(6) . . . . ?
N14 C31 C32 C33 2.4(7) . . . . ?
C29 C31 C32 C33 -171.0(6) . . . . ?
C31 C32 C33 N13 -2.4(8) . . . . ?
N16 C34 C35 C36 -0.7(9) . . . . ?
C34 C35 C36 C37 -0.3(9) . . . . ?
C35 C36 C37 C38 1.7(9) . . . . ?
C36 C37 C38 N16 -2.3(8) . . . . ?
C36 C37 C38 C39 178.0(5) . . . . ?
N16 C38 C39 N15 -2.0(7) . . . . ?
C37 C38 C39 N15 177.7(5) . . . . ?
N16 C38 C39 C40 178.8(5) . . . . ?
C37 C38 C39 C40 -1.4(9) . . . . ?
N15 C39 C40 C41 0.9(9) . . . . ?
C38 C39 C40 C41 180.0(6) . . . . ?
C39 C40 C41 C42 0.0(10) . . . . ?
C40 C41 C42 C43 -1.0(10) . . . . ?
C41 C42 C43 N15 1.2(9) . . . . ?
N12 C44 C45 C46 -1.6(8) . . . . ?
C44 C45 C46 C47 0.9(9) . . . . ?
C45 C46 C47 C48 -0.8(8) . . . . ?
C46 C47 C48 N12 1.2(8) . . . . ?
C46 C47 C48 C49 -179.4(5) . . . . ?
N12 C48 C49 N11 -1.2(7) . . . . ?
C47 C48 C49 N11 179.3(5) . . . . ?
N12 C48 C49 C50 -179.3(5) . . . . ?
C47 C48 C49 C50 1.2(9) . . . . ?
N11 C49 C50 C51 0.8(9) . . . . ?
C48 C49 C50 C51 178.8(6) . . . . ?
C49 C50 C51 C52 -0.6(10) . . . . ?
C50 C51 C52 C53 0.4(11) . . . . ?
C51 C52 C53 N11 -0.6(10) . . . . ?
C28 C27 C54 N22 -142.1(5) . . . . ?
C26 C27 C54 N22 37.6(8) . . . . ?
C28 C27 C54 C55 34.8(8) . . . . ?
C26 C27 C54 C55 -145.6(6) . . . . ?
N22 C54 C55 C56 1.0(6) . . . . ?
C27 C54 C55 C56 -176.3(5) . . . . ?
C54 C55 C56 N21 -1.7(7) . . . . ?
N20 C57 C58 C59 -0.3(9) . . . . ?
C57 C58 C59 C60 -0.4(9) . . . . ?
C58 C59 C60 C61 -0.3(9) . . . . ?
C59 C60 C61 N20 1.7(9) . . . . ?
C59 C60 C61 C62 -179.5(6) . . . . ?
N20 C61 C62 N19 -2.1(7) . . . . ?
C60 C61 C62 N19 179.1(5) . . . . ?
N20 C61 C62 C63 -179.3(5) . . . . ?
C60 C61 C62 C63 1.9(9) . . . . ?
N19 C62 C63 C64 -2.1(8) . . . . ?
C61 C62 C63 C64 175.1(5) . . . . ?
C62 C63 C64 C65 -0.4(9) . . . . ?
C63 C64 C65 C66 1.8(9) . . . . ?
C64 C65 C66 N19 -0.8(9) . . . . ?
N24 C67 C68 C69 -2.5(10) . . . . ?
C67 C68 C69 C70 2.9(10) . . . . ?
C68 C69 C70 C71 -0.6(10) . . . . ?
C69 C70 C71 N24 -2.3(9) . . . . ?
C69 C70 C71 C72 175.5(6) . . . . ?
N24 C71 C72 N23 2.0(7) . . . . ?
C70 C71 C72 N23 -175.9(5) . . . . ?
N24 C71 C72 C73 178.3(5) . . . . ?
C70 C71 C72 C73 0.4(9) . . . . ?
N23 C72 C73 C74 1.3(8) . . . . ?
C71 C72 C73 C74 -174.8(5) . . . . ?
C72 C73 C74 C75 1.8(9) . . . . ?
C73 C74 C75 C76 -2.0(9) . . . . ?
C74 C75 C76 N23 -1.0(8) . . . . ?
N17 C77 C78 C79 1.5(6) . . . . ?
C77 C78 C79 N18 -1.6(6) . . . . ?
C77 C78 C79 C80 175.0(5) . . . . ?
N18 C79 C80 C85 142.2(5) . . . . ?
C78 C79 C80 C85 -34.0(8) . . . . ?
N18 C79 C80 C81 -34.6(7) . . . . ?
C78 C79 C80 C81 149.2(6) . . . . ?
C85 C80 C81 C82 0.3(8) . . . . ?
C79 C80 C81 C82 177.1(5) . . . . ?
C80 C81 C82 C83 -1.2(8) . . . . ?
C80 C81 C82 C23 -175.7(5) . . . . ?
N4 C23 C82 C83 -23.6(8) . . . . ?
C89 C23 C82 C83 156.1(6) . . . . ?
N4 C23 C82 C81 150.6(5) . . . . ?
C89 C23 C82 C81 -29.7(8) . . . . ?
C81 C82 C83 C84 1.7(8) . . . . ?
C23 C82 C83 C84 175.9(5) . . . . ?
C82 C83 C84 C85 -1.3(8) . . . . ?
C82 C83 C84 C86 179.0(5) . . . . ?
C81 C80 C85 C84 0.1(7) . . . . ?
C79 C80 C85 C84 -176.7(5) . . . . ?
C83 C84 C85 C80 0.4(8) . . . . ?
C86 C84 C85 C80 180.0(5) . . . . ?
C83 C84 C86 N10 139.2(5) . . . . ?
C85 C84 C86 N10 -40.5(8) . . . . ?
C83 C84 C86 C87 -33.0(8) . . . . ?
C85 C84 C86 C87 147.3(6) . . . . ?
N10 C86 C87 C88 -1.5(6) . . . . ?
C84 C86 C87 C88 171.8(5) . . . . ?
C86 C87 C88 N9 0.9(7) . . . . ?
N4 C23 C89 C90 -4.1(7) . . . . ?
C82 C23 C89 C90 176.1(5) . . . . ?
C23 C89 C90 N3 3.1(7) . . . . ?
C9 C10 N1 C6 -1.5(9) . . . . ?
C9 C10 N1 Pd5 -177.8(5) . . . . ?
C7 C6 N1 C10 4.5(8) . . . . ?
C5 C6 N1 C10 -174.7(5) . . . . ?
C7 C6 N1 Pd5 -178.8(4) . . . . ?
C5 C6 N1 Pd5 2.1(6) . . . . ?
C4 C5 N2 C1 -3.7(9) . . . . ?
C6 C5 N2 C1 176.8(5) . . . . ?
C4 C5 N2 Pd5 178.0(4) . . . . ?
C6 C5 N2 Pd5 -1.5(6) . . . . ?
C2 C1 N2 C5 1.1(10) . . . . ?
C2 C1 N2 Pd5 179.1(5) . . . . ?
C89 C90 N3 N4 -0.9(7) . . . . ?
C89 C90 N3 Pd5 -161.1(4) . . . . ?
C89 C23 N4 N3 3.7(6) . . . . ?
C82 C23 N4 N3 -176.5(5) . . . . ?
C89 C23 N4 Pd6 159.6(4) . . . . ?
C82 C23 N4 Pd6 -20.6(8) . . . . ?
C90 N3 N4 C23 -1.8(6) . . . . ?
Pd5 N3 N4 C23 161.9(3) . . . . ?
C90 N3 N4 Pd6 -163.9(4) . . . . ?
Pd5 N3 N4 Pd6 -0.3(5) . . . . ?
C19 C20 N5 C16 3.4(8) . . . . ?
C19 C20 N5 Pd6 -173.9(4) . . . . ?
C17 C16 N5 C20 -5.6(8) . . . . ?
C15 C16 N5 C20 170.4(5) . . . . ?
C17 C16 N5 Pd6 172.1(4) . . . . ?
C15 C16 N5 Pd6 -12.0(6) . . . . ?
C14 C15 N6 C11 5.8(9) . . . . ?
C16 C15 N6 C11 -172.3(5) . . . . ?
C14 C15 N6 Pd6 -172.1(5) . . . . ?
C16 C15 N6 Pd6 9.8(7) . . . . ?
C12 C11 N6 C15 -2.1(9) . . . . ?
C12 C11 N6 Pd6 175.6(4) . . . . ?
C22 C24 N7 N8 -1.2(6) . . . . ?
C25 C24 N7 N8 174.7(5) . . . . ?
C22 C24 N7 Pd6 -164.3(4) . . . . ?
C25 C24 N7 Pd6 11.6(8) . . . . ?
C22 C21 N8 N7 -2.0(7) . . . . ?
C22 C21 N8 Pd5 153.5(4) . . . . ?
C24 N7 N8 C21 1.9(6) . . . . ?
Pd6 N7 N8 C21 168.9(4) . . . . ?
C24 N7 N8 Pd5 -158.1(4) . . . . ?
Pd6 N7 N8 Pd5 8.9(5) . . . . ?
C87 C88 N9 N10 0.0(7) . . . . ?
C87 C88 N9 Pd4 -156.3(4) . . . . ?
C87 C86 N10 N9 1.5(6) . . . . ?
C84 C86 N10 N9 -172.0(5) . . . . ?
C87 C86 N10 Pd3 165.3(4) . . . . ?
C84 C86 N10 Pd3 -8.2(9) . . . . ?
C88 N9 N10 C86 -1.0(6) . . . . ?
Pd4 N9 N10 C86 157.7(4) . . . . ?
C88 N9 N10 Pd3 -168.9(4) . . . . ?
Pd4 N9 N10 Pd3 -10.3(5) . . . . ?
C52 C53 N11 C49 0.8(9) . . . . ?
C52 C53 N11 Pd3 -177.4(5) . . . . ?
C50 C49 N11 C53 -1.0(8) . . . . ?
C48 C49 N11 C53 -179.2(5) . . . . ?
C50 C49 N11 Pd3 177.4(4) . . . . ?
C48 C49 N11 Pd3 -0.7(6) . . . . ?
C45 C44 N12 C48 2.1(8) . . . . ?
C45 C44 N12 Pd3 177.7(4) . . . . ?
C47 C48 N12 C44 -1.8(8) . . . . ?
C49 C48 N12 C44 178.7(5) . . . . ?
C47 C48 N12 Pd3 -177.9(4) . . . . ?
C49 C48 N12 Pd3 2.6(6) . . . . ?
C32 C33 N13 N14 1.5(7) . . . . ?
C32 C33 N13 Pd4 158.2(5) . . . . ?
C32 C31 N14 N13 -1.6(7) . . . . ?
C29 C31 N14 N13 172.3(5) . . . . ?
C32 C31 N14 Pd3 -167.6(4) . . . . ?
C29 C31 N14 Pd3 6.3(9) . . . . ?
C33 N13 N14 C31 0.1(6) . . . . ?
Pd4 N13 N14 C31 -159.6(4) . . . . ?
C33 N13 N14 Pd3 169.7(4) . . . . ?
Pd4 N13 N14 Pd3 10.0(5) . . . . ?
C40 C39 N15 C43 -0.6(8) . . . . ?
C38 C39 N15 C43 -179.8(5) . . . . ?
C40 C39 N15 Pd4 179.4(4) . . . . ?
C38 C39 N15 Pd4 0.2(6) . . . . ?
C42 C43 N15 C39 -0.4(8) . . . . ?
C42 C43 N15 Pd4 179.6(4) . . . . ?
C35 C34 N16 C38 0.2(8) . . . . ?
C35 C34 N16 Pd4 178.3(4) . . . . ?
C37 C38 N16 C34 1.4(8) . . . . ?
C39 C38 N16 C34 -178.9(5) . . . . ?
C37 C38 N16 Pd4 -176.9(4) . . . . ?
C39 C38 N16 Pd4 2.8(6) . . . . ?
C78 C77 N17 N18 -0.8(6) . . . . ?
C78 C77 N17 Pd2 -156.1(4) . . . . ?
C78 C79 N18 N17 1.2(6) . . . . ?
C80 C79 N18 N17 -175.8(4) . . . . ?
C78 C79 N18 Pd1 169.6(4) . . . . ?
C80 C79 N18 Pd1 -7.3(8) . . . . ?
C77 N17 N18 C79 -0.2(5) . . . . ?
Pd2 N17 N18 C79 159.0(3) . . . . ?
C77 N17 N18 Pd1 -171.6(3) . . . . ?
Pd2 N17 N18 Pd1 -12.3(4) . . . . ?
C65 C66 N19 C62 -1.6(8) . . . . ?
C65 C66 N19 Pd2 -177.8(4) . . . . ?
C63 C62 N19 C66 3.0(8) . . . . ?
C61 C62 N19 C66 -174.4(5) . . . . ?
C63 C62 N19 Pd2 179.7(4) . . . . ?
C61 C62 N19 Pd2 2.3(6) . . . . ?
C58 C57 N20 C61 1.8(8) . . . . ?
C58 C57 N20 Pd2 179.3(4) . . . . ?
C60 C61 N20 C57 -2.5(8) . . . . ?
C62 C61 N20 C57 178.7(5) . . . . ?
C60 C61 N20 Pd2 179.7(4) . . . . ?
C62 C61 N20 Pd2 0.8(6) . . . . ?
C55 C56 N21 N22 1.7(6) . . . . ?
C55 C56 N21 Pd2 156.7(4) . . . . ?
C56 N21 N22 C54 -1.1(6) . . . . ?
Pd2 N21 N22 C54 -159.6(3) . . . . ?
C56 N21 N22 Pd1 170.1(3) . . . . ?
Pd2 N21 N22 Pd1 11.6(4) . . . . ?
C55 C54 N22 N21 0.1(6) . . . . ?
C27 C54 N22 N21 177.5(5) . . . . ?
C55 C54 N22 Pd1 -168.2(4) . . . . ?
C27 C54 N22 Pd1 9.2(8) . . . . ?
C75 C76 N23 C72 4.1(7) . . . . ?
C75 C76 N23 Pd1 -175.7(4) . . . . ?
C73 C72 N23 C76 -4.3(7) . . . . ?
C71 C72 N23 C76 172.3(5) . . . . ?
C73 C72 N23 Pd1 175.6(4) . . . . ?
C71 C72 N23 Pd1 -7.9(6) . . . . ?
C68 C67 N24 C71 -0.3(8) . . . . ?
C68 C67 N24 Pd1 179.6(5) . . . . ?
C70 C71 N24 C67 2.7(8) . . . . ?
C72 C71 N24 C67 -175.2(5) . . . . ?
C70 C71 N24 Pd1 -177.2(4) . . . . ?
C72 C71 N24 Pd1 4.8(6) . . . . ?
N21 N22 Pd1 N18 -73.1(3) . . . . ?
C54 N22 Pd1 N18 94.9(5) . . . . ?
N21 N22 Pd1 N23 25(4) . . . . ?
C54 N22 Pd1 N23 -167(3) . . . . ?
N21 N22 Pd1 N24 103.4(3) . . . . ?
C54 N22 Pd1 N24 -88.7(5) . . . . ?
N21 N22 Pd1 Pd2 -7.4(3) . . . . ?
C54 N22 Pd1 Pd2 160.6(6) . . . . ?
C79 N18 Pd1 N22 -94.0(5) . . . . ?
N17 N18 Pd1 N22 74.0(3) . . . . ?
C79 N18 Pd1 N23 88.8(5) . . . . ?
N17 N18 Pd1 N23 -103.3(3) . . . . ?
C79 N18 Pd1 N24 157(2) . . . . ?
N17 N18 Pd1 N24 -35(3) . . . . ?
C79 N18 Pd1 Pd2 -160.1(5) . . . . ?
N17 N18 Pd1 Pd2 7.8(3) . . . . ?
C76 N23 Pd1 N22 -93(4) . . . . ?
C72 N23 Pd1 N22 87(4) . . . . ?
C76 N23 Pd1 N18 4.5(4) . . . . ?
C72 N23 Pd1 N18 -175.4(3) . . . . ?
C76 N23 Pd1 N24 -172.1(4) . . . . ?
C72 N23 Pd1 N24 8.1(3) . . . . ?
C76 N23 Pd1 Pd2 -61.5(4) . . . . ?
C72 N23 Pd1 Pd2 118.6(3) . . . . ?
C67 N24 Pd1 N22 -4.3(5) . . . . ?
C71 N24 Pd1 N22 175.7(4) . . . . ?
C67 N24 Pd1 N18 105(3) . . . . ?
C71 N24 Pd1 N18 -75(3) . . . . ?
C67 N24 Pd1 N23 173.0(5) . . . . ?
C71 N24 Pd1 N23 -7.0(4) . . . . ?
C67 N24 Pd1 Pd2 62.5(5) . . . . ?
C71 N24 Pd1 Pd2 -117.6(3) . . . . ?
C66 N19 Pd2 N20 174.9(5) . . . . ?
C62 N19 Pd2 N20 -1.4(3) . . . . ?
C66 N19 Pd2 N17 -5.5(5) . . . . ?
C62 N19 Pd2 N17 178.1(4) . . . . ?
C66 N19 Pd2 N21 150(3) . . . . ?
C62 N19 Pd2 N21 -26(3) . . . . ?
C66 N19 Pd2 Pd1 56.1(5) . . . . ?
C62 N19 Pd2 Pd1 -120.2(3) . . . . ?
C57 N20 Pd2 N19 -177.4(4) . . . . ?
C61 N20 Pd2 N19 0.3(3) . . . . ?
C57 N20 Pd2 N17 176(2) . . . . ?
C61 N20 Pd2 N17 -6(2) . . . . ?
C57 N20 Pd2 N21 1.3(4) . . . . ?
C61 N20 Pd2 N21 179.0(3) . . . . ?
C57 N20 Pd2 Pd1 -60.1(4) . . . . ?
C61 N20 Pd2 Pd1 117.6(3) . . . . ?
C77 N17 Pd2 N19 -79.3(5) . . . . ?
N18 N17 Pd2 N19 127.3(3) . . . . ?
C77 N17 Pd2 N20 -73(2) . . . . ?
N18 N17 Pd2 N20 134(2) . . . . ?
C77 N17 Pd2 N21 102.0(5) . . . . ?
N18 N17 Pd2 N21 -51.5(4) . . . . ?
C77 N17 Pd2 Pd1 161.5(5) . . . . ?
N18 N17 Pd2 Pd1 8.1(3) . . . . ?
N22 N21 Pd2 N19 -103(3) . . . . ?
C56 N21 Pd2 N19 104(3) . . . . ?
N22 N21 Pd2 N20 -128.0(4) . . . . ?
C56 N21 Pd2 N20 79.2(5) . . . . ?
N22 N21 Pd2 N17 52.4(4) . . . . ?
C56 N21 Pd2 N17 -100.4(5) . . . . ?
N22 N21 Pd2 Pd1 -7.7(3) . . . . ?
C56 N21 Pd2 Pd1 -160.6(5) . . . . ?
N22 Pd1 Pd2 N19 -178.4(2) . . . . ?
N18 Pd1 Pd2 N19 -85.4(2) . . . . ?
N23 Pd1 Pd2 N19 3.1(2) . . . . ?
N24 Pd1 Pd2 N19 91.9(2) . . . . ?
N22 Pd1 Pd2 N20 85.47(19) . . . . ?
N18 Pd1 Pd2 N20 178.49(19) . . . . ?
N23 Pd1 Pd2 N20 -92.97(19) . . . . ?
N24 Pd1 Pd2 N20 -4.3(2) . . . . ?
N22 Pd1 Pd2 N17 -98.40(19) . . . . ?
N18 Pd1 Pd2 N17 -5.37(19) . . . . ?
N23 Pd1 Pd2 N17 83.16(19) . . . . ?
N24 Pd1 Pd2 N17 171.9(2) . . . . ?
N22 Pd1 Pd2 N21 5.03(19) . . . . ?
N18 Pd1 Pd2 N21 98.05(19) . . . . ?
N23 Pd1 Pd2 N21 -173.41(19) . . . . ?
N24 Pd1 Pd2 N21 -84.7(2) . . . . ?
C31 N14 Pd3 N10 94.4(6) . . . . ?
N13 N14 Pd3 N10 -71.0(4) . . . . ?
C31 N14 Pd3 N12 -162.2(15) . . . . ?
N13 N14 Pd3 N12 32.4(19) . . . . ?
C31 N14 Pd3 N11 -91.7(6) . . . . ?
N13 N14 Pd3 N11 102.9(4) . . . . ?
C31 N14 Pd3 Pd4 159.3(6) . . . . ?
N13 N14 Pd3 Pd4 -6.1(3) . . . . ?
C86 N10 Pd3 N14 -92.2(5) . . . . ?
N9 N10 Pd3 N14 71.2(4) . . . . ?
C86 N10 Pd3 N12 93.6(5) . . . . ?
N9 N10 Pd3 N12 -103.1(4) . . . . ?
C86 N10 Pd3 N11 168.9(15) . . . . ?
N9 N10 Pd3 N11 -27.8(19) . . . . ?
C86 N10 Pd3 Pd4 -157.1(6) . . . . ?
N9 N10 Pd3 Pd4 6.2(3) . . . . ?
C44 N12 Pd3 N14 -106.8(17) . . . . ?
C48 N12 Pd3 N14 69.0(18) . . . . ?
C44 N12 Pd3 N10 -4.1(5) . . . . ?
C48 N12 Pd3 N10 171.7(4) . . . . ?
C44 N12 Pd3 N11 -178.1(5) . . . . ?
C48 N12 Pd3 N11 -2.3(4) . . . . ?
C44 N12 Pd3 Pd4 -69.8(4) . . . . ?
C48 N12 Pd3 Pd4 106.0(3) . . . . ?
C53 N11 Pd3 N14 5.5(5) . . . . ?
C49 N11 Pd3 N14 -172.8(4) . . . . ?
C53 N11 Pd3 N10 103.7(17) . . . . ?
C49 N11 Pd3 N10 -74.6(17) . . . . ?
C53 N11 Pd3 N12 180.0(5) . . . . ?
C49 N11 Pd3 N12 1.6(4) . . . . ?
C53 N11 Pd3 Pd4 71.2(5) . . . . ?
C49 N11 Pd3 Pd4 -107.2(3) . . . . ?
C39 N15 Pd4 N13 -11(3) . . . . ?
C43 N15 Pd4 N13 169(3) . . . . ?
C39 N15 Pd4 N9 -179.7(4) . . . . ?
C43 N15 Pd4 N9 0.3(4) . . . . ?
C39 N15 Pd4 N16 1.0(4) . . . . ?
C43 N15 Pd4 N16 -179.0(4) . . . . ?
C39 N15 Pd4 Pd3 -119.1(3) . . . . ?
C43 N15 Pd4 Pd3 60.9(4) . . . . ?
C33 N13 Pd4 N15 89(3) . . . . ?
N14 N13 Pd4 N15 -117(3) . . . . ?
C33 N13 Pd4 N9 -102.0(6) . . . . ?
N14 N13 Pd4 N9 52.6(4) . . . . ?
C33 N13 Pd4 N16 77.3(6) . . . . ?
N14 N13 Pd4 N16 -128.1(4) . . . . ?
C33 N13 Pd4 Pd3 -161.0(6) . . . . ?
N14 N13 Pd4 Pd3 -6.5(3) . . . . ?
C88 N9 Pd4 N15 -79.3(5) . . . . ?
N10 N9 Pd4 N15 127.0(4) . . . . ?
C88 N9 Pd4 N13 101.3(5) . . . . ?
N10 N9 Pd4 N13 -52.4(4) . . . . ?
C88 N9 Pd4 N16 -69(3) . . . . ?
N10 N9 Pd4 N16 137(2) . . . . ?
C88 N9 Pd4 Pd3 160.6(6) . . . . ?
N10 N9 Pd4 Pd3 6.8(3) . . . . ?
C34 N16 Pd4 N15 179.7(4) . . . . ?
C38 N16 Pd4 N15 -2.1(4) . . . . ?
C34 N16 Pd4 N13 -1.0(4) . . . . ?
C38 N16 Pd4 N13 177.2(4) . . . . ?
C34 N16 Pd4 N9 169(2) . . . . ?
C38 N16 Pd4 N9 -13(3) . . . . ?
C34 N16 Pd4 Pd3 -62.1(4) . . . . ?
C38 N16 Pd4 Pd3 116.1(3) . . . . ?
N14 Pd3 Pd4 N15 -179.1(2) . . . . ?
N10 Pd3 Pd4 N15 -84.3(2) . . . . ?
N12 Pd3 Pd4 N15 4.8(2) . . . . ?
N11 Pd3 Pd4 N15 92.1(2) . . . . ?
N14 Pd3 Pd4 N13 4.4(2) . . . . ?
N10 Pd3 Pd4 N13 99.1(2) . . . . ?
N12 Pd3 Pd4 N13 -171.8(2) . . . . ?
N11 Pd3 Pd4 N13 -84.5(2) . . . . ?
N14 Pd3 Pd4 N9 -99.2(2) . . . . ?
N10 Pd3 Pd4 N9 -4.4(2) . . . . ?
N12 Pd3 Pd4 N9 84.7(2) . . . . ?
N11 Pd3 Pd4 N9 172.0(2) . . . . ?
N14 Pd3 Pd4 N16 84.5(2) . . . . ?
N10 Pd3 Pd4 N16 179.2(2) . . . . ?
N12 Pd3 Pd4 N16 -91.7(2) . . . . ?
N11 Pd3 Pd4 N16 -4.4(2) . . . . ?
C10 N1 Pd5 N3 -5.8(5) . . . . ?
C6 N1 Pd5 N3 177.8(4) . . . . ?
C10 N1 Pd5 N2 174.1(5) . . . . ?
C6 N1 Pd5 N2 -2.2(4) . . . . ?
C10 N1 Pd5 N8 133(6) . . . . ?
C6 N1 Pd5 N8 -44(6) . . . . ?
C10 N1 Pd5 Pd6 58.3(5) . . . . ?
C6 N1 Pd5 Pd6 -118.1(4) . . . . ?
C90 N3 Pd5 N1 -85.9(5) . . . . ?
N4 N3 Pd5 N1 115.4(4) . . . . ?
C90 N3 Pd5 N2 -86(4) . . . . ?
N4 N3 Pd5 N2 115(4) . . . . ?
C90 N3 Pd5 N8 95.4(6) . . . . ?
N4 N3 Pd5 N8 -63.3(4) . . . . ?
C90 N3 Pd5 Pd6 158.9(6) . . . . ?
N4 N3 Pd5 Pd6 0.2(3) . . . . ?
C5 N2 Pd5 N1 2.0(4) . . . . ?
C1 N2 Pd5 N1 -176.2(5) . . . . ?
C5 N2 Pd5 N3 2(4) . . . . ?
C1 N2 Pd5 N3 -176(24) . . . . ?
C5 N2 Pd5 N8 -179.3(4) . . . . ?
C1 N2 Pd5 N8 2.6(6) . . . . ?
C5 N2 Pd5 Pd6 116.0(4) . . . . ?
C1 N2 Pd5 Pd6 -62.2(5) . . . . ?
C21 N8 Pd5 N1 125(6) . . . . ?
N7 N8 Pd5 N1 -81(6) . . . . ?
C21 N8 Pd5 N3 -96.6(6) . . . . ?
N7 N8 Pd5 N3 57.6(4) . . . . ?
C21 N8 Pd5 N2 83.4(6) . . . . ?
N7 N8 Pd5 N2 -122.4(4) . . . . ?
C21 N8 Pd5 Pd6 -160.0(6) . . . . ?
N7 N8 Pd5 Pd6 -5.8(3) . . . . ?
N8 N7 Pd6 N6 105.8(4) . . . . ?
C24 N7 Pd6 N6 -92.0(5) . . . . ?
N8 N7 Pd6 N5 80(5) . . . . ?
C24 N7 Pd6 N5 -118(5) . . . . ?
N8 N7 Pd6 N4 -72.4(4) . . . . ?
C24 N7 Pd6 N4 89.9(5) . . . . ?
N8 N7 Pd6 Pd5 -5.8(3) . . . . ?
C24 N7 Pd6 Pd5 156.4(6) . . . . ?
C15 N6 Pd6 N7 168.4(4) . . . . ?
C11 N6 Pd6 N7 -9.4(5) . . . . ?
C15 N6 Pd6 N5 -12.7(4) . . . . ?
C11 N6 Pd6 N5 169.6(5) . . . . ?
C15 N6 Pd6 N4 -59(5) . . . . ?
C11 N6 Pd6 N4 124(5) . . . . ?
C15 N6 Pd6 Pd5 -125.5(4) . . . . ?
C11 N6 Pd6 Pd5 56.7(5) . . . . ?
C20 N5 Pd6 N7 -143(5) . . . . ?
C16 N5 Pd6 N7 39(5) . . . . ?
C20 N5 Pd6 N6 -169.2(5) . . . . ?
C16 N5 Pd6 N6 13.3(4) . . . . ?
C20 N5 Pd6 N4 9.0(5) . . . . ?
C16 N5 Pd6 N4 -168.5(4) . . . . ?
C20 N5 Pd6 Pd5 -58.5(5) . . . . ?
C16 N5 Pd6 Pd5 124.0(4) . . . . ?
C23 N4 Pd6 N7 -89.8(5) . . . . ?
N3 N4 Pd6 N7 65.5(4) . . . . ?
C23 N4 Pd6 N6 137(5) . . . . ?
N3 N4 Pd6 N6 -68(5) . . . . ?
C23 N4 Pd6 N5 91.3(5) . . . . ?
N3 N4 Pd6 N5 -113.4(4) . . . . ?
C23 N4 Pd6 Pd5 -155.1(6) . . . . ?
N3 N4 Pd6 Pd5 0.2(3) . . . . ?
N1 Pd5 Pd6 N7 -178.1(2) . . . . ?
N3 Pd5 Pd6 N7 -94.3(2) . . . . ?
N2 Pd5 Pd6 N7 88.7(2) . . . . ?
N8 Pd5 Pd6 N7 3.9(2) . . . . ?
N1 Pd5 Pd6 N6 93.5(2) . . . . ?
N3 Pd5 Pd6 N6 177.4(2) . . . . ?
N2 Pd5 Pd6 N6 0.3(2) . . . . ?
N8 Pd5 Pd6 N6 -84.4(2) . . . . ?
N1 Pd5 Pd6 N5 4.43(19) . . . . ?
N3 Pd5 Pd6 N5 88.3(2) . . . . ?
N2 Pd5 Pd6 N5 -88.8(2) . . . . ?
N8 Pd5 Pd6 N5 -173.5(2) . . . . ?
N1 Pd5 Pd6 N4 -84.0(2) . . . . ?
N3 Pd5 Pd6 N4 -0.1(2) . . . . ?
N2 Pd5 Pd6 N4 -177.1(2) . . . . ?
N8 Pd5 Pd6 N4 98.1(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.38
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.024
_refine_diff_density_min         -0.928
_refine_diff_density_rms         0.126

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.013 -0.016 -0.014 2263 923 ' '
2 0.314 0.459 0.825 18 5 ' '
3 0.686 0.541 0.175 18 7 ' '
_platon_squeeze_details          ?

_database_code_depnum_ccdc_archive 'CCDC 1007897'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_jxf1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C204 H206 N50 O18 Pd10'
_chemical_formula_weight         4710.20

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'
O O 0.0106 0.0060 '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                   18.617(4)
_cell_length_b                   19.665(4)
_cell_length_c                   24.241(5)
_cell_angle_alpha                74.70(3)
_cell_angle_beta                 68.97(3)
_cell_angle_gamma                84.45(3)
_cell_volume                     7990(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.979
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2384.0
_exptl_absorpt_coefficient_mu    0.596
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.871
_exptl_absorpt_correction_T_max  0.871
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            96542
_diffrn_reflns_av_R_equivalents  0.0802
_diffrn_reflns_av_sigmaI/netI    0.0767
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.15
_diffrn_reflns_theta_max         25.00
_reflns_number_total             26002
_reflns_number_gt                19253
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.2000P)²+0.0000P] 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     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         26002
_refine_ls_number_parameters     1292
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1295
_refine_ls_R_factor_gt           0.1114
_refine_ls_wR_factor_ref         0.3281
_refine_ls_wR_factor_gt          0.2960
_refine_ls_goodness_of_fit_ref   1.270
_refine_ls_restrained_S_all      1.270
_refine_ls_shift/su_max          0.130
_refine_ls_shift/su_mean         0.003

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
C1 C 0.0642(6) 0.3865(5) 0.4245(4) 0.041(2) Uani 1 1 d . . .
H1 H 0.0769 0.3820 0.3849 0.049 Uiso 1 1 calc R . .
C2 C 0.0123(6) 0.3421(5) 0.4696(4) 0.043(2) Uani 1 1 d . . .
H2 H -0.0106 0.3081 0.4609 0.051 Uiso 1 1 calc R . .
C3 C -0.0073(5) 0.3470(5) 0.5298(4) 0.040(2) Uani 1 1 d . . .
C4 C 0.0276(5) 0.3963(5) 0.5401(4) 0.038(2) Uani 1 1 d . . .
H4 H 0.0154 0.3996 0.5800 0.046 Uiso 1 1 calc R . .
C5 C 0.0813(6) 0.4430(4) 0.4935(4) 0.038(2) Uani 1 1 d . . .
C6 C 0.1220(5) 0.5016(4) 0.4980(4) 0.0323(19) Uani 1 1 d . . .
C7 C 0.1085(6) 0.5195(5) 0.5521(4) 0.039(2) Uani 1 1 d . . .
H7 H 0.0732 0.4938 0.5879 0.047 Uiso 1 1 calc R . .
C8 C 0.1467(6) 0.5752(7) 0.5537(4) 0.054(3) Uani 1 1 d . . .
C9 C 0.1991(6) 0.6131(6) 0.4976(4) 0.045(2) Uani 1 1 d . . .
H9 H 0.2258 0.6514 0.4964 0.055 Uiso 1 1 calc R . .
C10 C 0.2105(5) 0.5926(5) 0.4438(4) 0.036(2) Uani 1 1 d . . .
H10 H 0.2457 0.6165 0.4070 0.044 Uiso 1 1 calc R . .
C11 C 0.1327(9) 0.6015(7) 0.6104(5) 0.073(4) Uani 1 1 d . . .
H11A H 0.0797 0.5941 0.6363 0.110 Uiso 1 1 calc R . .
H11B H 0.1442 0.6509 0.5986 0.110 Uiso 1 1 calc R . .
H11C H 0.1651 0.5762 0.6320 0.110 Uiso 1 1 calc R . .
C12 C -0.0644(6) 0.2957(6) 0.5814(4) 0.052(3) Uani 1 1 d . . .
H12A H -0.0375 0.2621 0.6037 0.077 Uiso 1 1 calc R . .
H12B H -0.0910 0.2713 0.5649 0.077 Uiso 1 1 calc R . .
H12C H -0.1009 0.3210 0.6082 0.077 Uiso 1 1 calc R . .
C13 C -0.0121(5) 0.5598(5) 0.2630(5) 0.042(2) Uani 1 1 d . . .
H13 H 0.0141 0.5175 0.2594 0.050 Uiso 1 1 calc R . .
C14 C -0.0850(5) 0.5649(5) 0.2661(4) 0.035(2) Uani 1 1 d . . .
H14 H -0.1090 0.5255 0.2663 0.042 Uiso 1 1 calc R . .
C15 C -0.1264(5) 0.6267(5) 0.2691(4) 0.036(2) Uani 1 1 d . . .
C16 C -0.0879(5) 0.6834(5) 0.2718(4) 0.035(2) Uani 1 1 d . . .
H16 H -0.1137 0.7257 0.2758 0.042 Uiso 1 1 calc R . .
C17 C -0.0126(5) 0.6764(4) 0.2687(4) 0.0289(18) Uani 1 1 d . . .
C18 C 0.0303(5) 0.7332(5) 0.2706(4) 0.034(2) Uani 1 1 d . . .
C19 C 0.0034(5) 0.8000(4) 0.2770(4) 0.035(2) Uani 1 1 d . . .
H19 H -0.0469 0.8123 0.2792 0.042 Uiso 1 1 calc R . .
C20 C 0.0495(5) 0.8484(5) 0.2800(4) 0.040(2) Uani 1 1 d . . .
C21 C 0.1222(5) 0.8297(4) 0.2773(4) 0.0318(19) Uani 1 1 d . . .
H21 H 0.1539 0.8614 0.2802 0.038 Uiso 1 1 calc R . .
C22 C 0.1500(5) 0.7627(5) 0.2700(4) 0.036(2) Uani 1 1 d . . .
H22 H 0.2007 0.7510 0.2668 0.043 Uiso 1 1 calc R . .
C23 C 0.0188(6) 0.9220(6) 0.2872(6) 0.060(3) Uani 1 1 d . . .
H23A H 0.0574 0.9566 0.2612 0.090 Uiso 1 1 calc R . .
H23B H 0.0060 0.9237 0.3289 0.090 Uiso 1 1 calc R . .
H23C H -0.0264 0.9317 0.2761 0.090 Uiso 1 1 calc R . .
C24 C -0.2089(5) 0.6323(6) 0.2711(6) 0.058(3) Uani 1 1 d . . .
H24A H -0.2130 0.6689 0.2373 0.087 Uiso 1 1 calc R . .
H24B H -0.2416 0.6432 0.3086 0.087 Uiso 1 1 calc R . .
H24C H -0.2244 0.5882 0.2689 0.087 Uiso 1 1 calc R . .
C25 C 0.3073(5) 0.6925(5) 0.1578(4) 0.037(2) Uani 1 1 d . . .
H25A H 0.2600 0.6874 0.1519 0.056 Uiso 1 1 calc R . .
H25B H 0.3499 0.6834 0.1238 0.056 Uiso 1 1 calc R . .
H25C H 0.3109 0.7396 0.1610 0.056 Uiso 1 1 calc R . .
C26 C 0.3089(4) 0.6409(4) 0.2154(3) 0.0216(16) Uani 1 1 d . . .
C27 C 0.3709(4) 0.6099(4) 0.2315(4) 0.0235(16) Uani 1 1 d . . .
C28 C 0.3374(4) 0.5684(4) 0.2909(3) 0.0244(17) Uani 1 1 d . . .
C29 C 0.3751(5) 0.5204(4) 0.3315(4) 0.0330(19) Uani 1 1 d . . .
H29A H 0.3401 0.5108 0.3729 0.050 Uiso 1 1 calc R . .
H29B H 0.4205 0.5426 0.3286 0.050 Uiso 1 1 calc R . .
H29C H 0.3890 0.4770 0.3191 0.050 Uiso 1 1 calc R . .
C30 C 0.1732(6) 0.5276(6) 0.1480(4) 0.045(2) Uani 1 1 d . . .
H30A H 0.1298 0.5077 0.1453 0.067 Uiso 1 1 calc R . .
H30B H 0.2183 0.5231 0.1139 0.067 Uiso 1 1 calc R . .
H30C H 0.1635 0.5765 0.1476 0.067 Uiso 1 1 calc R . .
C31 C 0.1854(5) 0.4894(4) 0.2057(4) 0.0278(18) Uani 1 1 d . . .
C32 C 0.2251(4) 0.4275(4) 0.2194(3) 0.0225(16) Uani 1 1 d . . .
C33 C 0.2228(5) 0.4165(4) 0.2781(4) 0.0299(18) Uani 1 1 d . . .
C34 C 0.2553(6) 0.3607(5) 0.3175(4) 0.041(2) Uani 1 1 d . . .
H34A H 0.2975 0.3796 0.3226 0.061 Uiso 1 1 calc R . .
H34B H 0.2732 0.3220 0.2987 0.061 Uiso 1 1 calc R . .
H34C H 0.2162 0.3444 0.3566 0.061 Uiso 1 1 calc R . .
C35 C 0.2663(5) 0.3822(4) 0.1759(4) 0.0270(18) Uani 1 1 d . . .
C36 C 0.2726(5) 0.3117(4) 0.1060(4) 0.0263(17) Uani 1 1 d . . .
C37 C 0.3527(5) 0.3013(4) 0.0957(4) 0.0271(18) Uani 1 1 d . . .
H37 H 0.3818 0.2765 0.0672 0.032 Uiso 1 1 calc R . .
C38 C 0.3879(4) 0.3272(4) 0.1271(3) 0.0242(17) Uani 1 1 d . . .
C39 C 0.3456(4) 0.3686(4) 0.1664(4) 0.0263(17) Uani 1 1 d . . .
H39 H 0.3696 0.3876 0.1866 0.032 Uiso 1 1 calc R . .
C40 C 0.2343(4) 0.2792(5) 0.0763(4) 0.0286(18) Uani 1 1 d . . .
C41 C 0.1814(5) 0.3099(4) 0.0472(3) 0.0264(17) Uani 1 1 d . . .
C42 C 0.2460(5) 0.2105(4) 0.0703(4) 0.0294(18) Uani 1 1 d . . .
C43 C 0.2914(6) 0.1521(5) 0.0953(4) 0.038(2) Uani 1 1 d . . .
H43A H 0.2781 0.1085 0.0907 0.057 Uiso 1 1 calc R . .
H43B H 0.2799 0.1491 0.1378 0.057 Uiso 1 1 calc R . .
H43C H 0.3453 0.1611 0.0736 0.057 Uiso 1 1 calc R . .
C44 C 0.1461(5) 0.3821(4) 0.0373(4) 0.037(2) Uani 1 1 d . . .
H44A H 0.0928 0.3778 0.0428 0.055 Uiso 1 1 calc R . .
H44B H 0.1727 0.4089 -0.0034 0.055 Uiso 1 1 calc R . .
H44C H 0.1501 0.4057 0.0660 0.055 Uiso 1 1 calc R . .
C45 C 0.5396(5) 0.3585(6) 0.0004(4) 0.043(2) Uani 1 1 d . . .
H45A H 0.4927 0.3832 0.0000 0.065 Uiso 1 1 calc R . .
H45B H 0.5472 0.3218 -0.0206 0.065 Uiso 1 1 calc R . .
H45C H 0.5820 0.3908 -0.0196 0.065 Uiso 1 1 calc R . .
C46 C 0.5346(5) 0.3257(4) 0.0668(4) 0.0321(19) Uani 1 1 d . . .
C47 C 0.4713(4) 0.3132(4) 0.1198(3) 0.0225(16) Uani 1 1 d . . .
C48 C 0.4999(5) 0.2869(5) 0.1650(4) 0.035(2) Uani 1 1 d . . .
C49 C 0.4598(5) 0.2626(5) 0.2325(4) 0.038(2) Uani 1 1 d . . .
H49A H 0.4243 0.2983 0.2466 0.057 Uiso 1 1 calc R . .
H49B H 0.4971 0.2541 0.2525 0.057 Uiso 1 1 calc R . .
H49C H 0.4322 0.2199 0.2416 0.057 Uiso 1 1 calc R . .
C50 C 0.0578(5) 0.1039(5) 0.1069(4) 0.036(2) Uani 1 1 d . . .
H50 H 0.0722 0.1443 0.1134 0.044 Uiso 1 1 calc R . .
C51 C -0.0108(5) 0.0696(5) 0.1469(4) 0.041(2) Uani 1 1 d . . .
H51 H -0.0405 0.0855 0.1811 0.049 Uiso 1 1 calc R . .
C52 C -0.0338(5) 0.0124(5) 0.1354(4) 0.0325(19) Uani 1 1 d . . .
C53 C 0.0127(5) -0.0118(4) 0.0851(5) 0.040(2) Uani 1 1 d . . .
H53 H -0.0016 -0.0510 0.0767 0.048 Uiso 1 1 calc R . .
C54 C 0.0810(5) 0.0236(5) 0.0475(4) 0.0310(19) Uani 1 1 d . . .
C55 C 0.1347(4) -0.0011(4) -0.0039(4) 0.0230(16) Uani 1 1 d . . .
C56 C 0.1274(6) -0.0600(5) -0.0216(4) 0.039(2) Uani 1 1 d . . .
H56 H 0.0824 -0.0862 -0.0017 0.047 Uiso 1 1 calc R . .
C57 C 0.1858(5) -0.0813(4) -0.0687(4) 0.036(2) Uani 1 1 d . . .
C58 C 0.2532(5) -0.0404(5) -0.0973(4) 0.036(2) Uani 1 1 d . . .
H58 H 0.2941 -0.0537 -0.1281 0.044 Uiso 1 1 calc R . .
C59 C 0.2586(5) 0.0181(5) -0.0800(4) 0.038(2) Uani 1 1 d . . .
H59 H 0.3025 0.0459 -0.1008 0.046 Uiso 1 1 calc R . .
C60 C 0.1762(6) -0.1445(5) -0.0887(5) 0.043(2) Uani 1 1 d . . .
H60A H 0.1640 -0.1296 -0.1254 0.065 Uiso 1 1 calc R . .
H60B H 0.1353 -0.1733 -0.0572 0.065 Uiso 1 1 calc R . .
H60C H 0.2232 -0.1713 -0.0963 0.065 Uiso 1 1 calc R . .
C61 C -0.1077(6) -0.0272(6) 0.1801(5) 0.051(3) Uani 1 1 d . . .
H61A H -0.1138 -0.0675 0.1669 0.077 Uiso 1 1 calc R . .
H61B H -0.1512 0.0036 0.1812 0.077 Uiso 1 1 calc R . .
H61C H -0.1043 -0.0424 0.2201 0.077 Uiso 1 1 calc R . .
C62 C 0.3239(5) 0.2271(5) -0.0909(4) 0.0304(19) Uani 1 1 d . . .
C63 C 0.4277(5) 0.1860(4) -0.0661(4) 0.0328(19) Uani 1 1 d . . .
C64 C 0.4995(6) 0.1693(5) -0.0560(5) 0.042(2) Uani 1 1 d . . .
H64A H 0.5120 0.2055 -0.0410 0.063 Uiso 1 1 calc R . .
H64B H 0.5394 0.1663 -0.0936 0.063 Uiso 1 1 calc R . .
H64C H 0.4951 0.1249 -0.0265 0.063 Uiso 1 1 calc R . .
C65 C 0.4517(4) 0.6138(4) 0.1916(4) 0.0276(18) Uani 1 1 d . . .
C66 C 0.4935(5) 0.5550(4) 0.1807(3) 0.0258(17) Uani 1 1 d . . .
H66 H 0.4703 0.5110 0.1997 0.031 Uiso 1 1 calc R . .
C67 C 0.5711(4) 0.5589(4) 0.1413(3) 0.0233(17) Uani 1 1 d . . .
C68 C 0.6052(4) 0.6241(4) 0.1147(4) 0.0264(18) Uani 1 1 d . . .
H68 H 0.6563 0.6276 0.0889 0.032 Uiso 1 1 calc R . .
C69 C 0.5642(5) 0.6848(4) 0.1257(4) 0.0303(18) Uani 1 1 d . . .
C70 C 0.4882(5) 0.6810(4) 0.1639(4) 0.0288(18) Uani 1 1 d . . .
H70 H 0.4611 0.7218 0.1715 0.035 Uiso 1 1 calc R . .
C71 C 0.6029(5) 0.7544(4) 0.0958(4) 0.0314(19) Uani 1 1 d . . .
C72 C 0.6127(5) 0.4915(4) 0.1311(4) 0.0295(19) Uani 1 1 d . . .
C73 C 0.6192(4) 0.4329(4) 0.1757(4) 0.0240(17) Uani 1 1 d . . .
C74 C 0.6533(4) 0.4750(4) 0.0762(4) 0.0254(17) Uani 1 1 d . . .
C75 C 0.6605(5) 0.5172(5) 0.0132(4) 0.038(2) Uani 1 1 d . . .
H75A H 0.7025 0.4993 -0.0161 0.056 Uiso 1 1 calc R . .
H75B H 0.6698 0.5657 0.0093 0.056 Uiso 1 1 calc R . .
H75C H 0.6137 0.5136 0.0060 0.056 Uiso 1 1 calc R . .
C76 C 0.5884(5) 0.4204(4) 0.2436(4) 0.034(2) Uani 1 1 d . . .
H76A H 0.5396 0.3969 0.2596 0.051 Uiso 1 1 calc R . .
H76B H 0.5818 0.4648 0.2545 0.051 Uiso 1 1 calc R . .
H76C H 0.6238 0.3916 0.2604 0.051 Uiso 1 1 calc R . .
C77 C 0.7774(5) 0.3195(5) 0.2195(4) 0.036(2) Uani 1 1 d . . .
H77 H 0.7723 0.3648 0.1969 0.043 Uiso 1 1 calc R . .
C78 C 0.8284(5) 0.3088(5) 0.2507(4) 0.039(2) Uani 1 1 d . . .
H78 H 0.8575 0.3460 0.2483 0.047 Uiso 1 1 calc R . .
C79 C 0.8356(6) 0.2426(6) 0.2852(5) 0.044(2) Uani 1 1 d . . .
C80 C 0.7952(5) 0.1886(5) 0.2844(4) 0.039(2) Uani 1 1 d . . .
H80 H 0.8016 0.1429 0.3056 0.047 Uiso 1 1 calc R . .
C81 C 0.7431(5) 0.2016(4) 0.2510(4) 0.034(2) Uani 1 1 d . . .
C82 C 0.6936(5) 0.1480(4) 0.2500(4) 0.037(2) Uani 1 1 d . . .
C83 C 0.6937(6) 0.0769(5) 0.2783(5) 0.047(3) Uani 1 1 d . . .
H83 H 0.7279 0.0604 0.2990 0.057 Uiso 1 1 calc R . .
C84 C 0.6462(7) 0.0314(5) 0.2768(5) 0.051(3) Uani 1 1 d . . .
C85 C 0.5978(6) 0.0569(5) 0.2414(4) 0.044(2) Uani 1 1 d . . .
H85 H 0.5647 0.0273 0.2375 0.052 Uiso 1 1 calc R . .
C86 C 0.6030(5) 0.1287(4) 0.2129(4) 0.036(2) Uani 1 1 d . . .
H86 H 0.5722 0.1468 0.1895 0.043 Uiso 1 1 calc R . .
C87 C 0.6424(8) -0.0458(6) 0.3091(6) 0.068(4) Uani 1 1 d . . .
H87A H 0.6718 -0.0726 0.2805 0.102 Uiso 1 1 calc R . .
H87B H 0.5898 -0.0611 0.3262 0.102 Uiso 1 1 calc R . .
H87C H 0.6633 -0.0527 0.3411 0.102 Uiso 1 1 calc R . .
C88 C 0.8892(7) 0.2291(6) 0.3214(5) 0.061(3) Uani 1 1 d . . .
H88A H 0.9226 0.2688 0.3085 0.092 Uiso 1 1 calc R . .
H88B H 0.9195 0.1877 0.3146 0.092 Uiso 1 1 calc R . .
H88C H 0.8595 0.2220 0.3640 0.092 Uiso 1 1 calc R . .
C89 C 0.6908(5) 0.2112(4) -0.0054(4) 0.0314(19) Uani 1 1 d . . .
H89 H 0.6414 0.2071 0.0236 0.038 Uiso 1 1 calc R . .
C90 C 0.7153(5) 0.1639(4) -0.0399(4) 0.0280(18) Uani 1 1 d . . .
H90 H 0.6811 0.1306 -0.0370 0.034 Uiso 1 1 calc R . .
C91 C 0.7915(5) 0.1645(4) -0.0799(4) 0.0315(19) Uani 1 1 d . . .
C92 C 0.8392(5) 0.2169(4) -0.0849(4) 0.0263(17) Uani 1 1 d . . .
H92 H 0.8899 0.2193 -0.1115 0.032 Uiso 1 1 calc R . .
C93 C 0.8116(5) 0.2659(4) -0.0505(4) 0.0305(19) Uani 1 1 d . . .
C94 C 0.8592(4) 0.3210(4) -0.0479(4) 0.0260(17) Uani 1 1 d . . .
C95 C 0.9358(5) 0.3332(5) -0.0816(4) 0.0323(19) Uani 1 1 d . . .
H95 H 0.9612 0.3064 -0.1094 0.039 Uiso 1 1 calc R . .
C96 C 0.9761(5) 0.3842(4) -0.0754(4) 0.0283(18) Uani 1 1 d . . .
C97 C 0.9353(5) 0.4229(5) -0.0337(4) 0.037(2) Uani 1 1 d . . .
H97 H 0.9600 0.4570 -0.0267 0.045 Uiso 1 1 calc R . .
C98 C 0.8589(5) 0.4107(4) -0.0032(4) 0.0267(17) Uani 1 1 d . . .
H98 H 0.8325 0.4390 0.0230 0.032 Uiso 1 1 calc R . .
C99 C 0.8171(6) 0.1117(5) -0.1184(4) 0.042(2) Uani 1 1 d . . .
H99A H 0.7963 0.1246 -0.1507 0.063 Uiso 1 1 calc R . .
H99B H 0.7989 0.0657 -0.0935 0.063 Uiso 1 1 calc R . .
H99C H 0.8723 0.1112 -0.1354 0.063 Uiso 1 1 calc R . .
C100 C 1.0597(5) 0.3948(4) -0.1102(4) 0.035(2) Uani 1 1 d . . .
H10A H 1.0817 0.3525 -0.1222 0.052 Uiso 1 1 calc R . .
H10B H 1.0844 0.4057 -0.0850 0.052 Uiso 1 1 calc R . .
H10C H 1.0671 0.4330 -0.1458 0.052 Uiso 1 1 calc R . .
C101 C 0.2677(5) 0.2695(5) -0.1178(5) 0.038(2) Uani 1 1 d . . .
H10D H 0.2414 0.3022 -0.0939 0.057 Uiso 1 1 calc R . .
H10E H 0.2309 0.2385 -0.1178 0.057 Uiso 1 1 calc R . .
H10F H 0.2948 0.2949 -0.1589 0.057 Uiso 1 1 calc R . .
C102 C 0.2324(4) 0.3545(4) 0.1466(4) 0.0247(17) Uani 1 1 d . . .
H102 H 0.1805 0.3636 0.1531 0.030 Uiso 1 1 calc R . .
N1 N 0.2024(4) 0.0377(4) -0.0333(3) 0.0335(17) Uani 1 1 d . . .
N2 N 0.1030(4) 0.0790(3) 0.0592(3) 0.0263(15) Uani 1 1 d . . .
N3 N 0.3081(4) 0.1586(3) -0.0573(3) 0.0314(16) Uani 1 1 d . . .
N5 N 0.2012(4) 0.1997(4) 0.0410(3) 0.0335(17) Uani 1 1 d . . .
N6 N 0.1632(4) 0.2603(3) 0.0271(3) 0.0303(16) Uani 1 1 d . . .
N7 N 0.1837(3) 0.4707(3) 0.3005(3) 0.0222(14) Uani 1 1 d . . .
N8 N 0.1621(4) 0.5149(3) 0.2560(3) 0.0254(15) Uani 1 1 d . . .
N9 N 0.0253(4) 0.6143(4) 0.2651(3) 0.0265(15) Uani 1 1 d . . .
N10 N 0.1047(4) 0.7149(3) 0.2676(3) 0.0225(14) Uani 1 1 d . . .
N11 N 0.0994(4) 0.4383(4) 0.4339(3) 0.0353(17) Uani 1 1 d . . .
N12 N 0.1711(4) 0.5393(4) 0.4456(3) 0.0316(16) Uani 1 1 d . . .
N13 N 0.5980(4) 0.3078(3) 0.0794(3) 0.0264(15) Uani 1 1 d . . .
N14 N 0.5755(3) 0.2821(3) 0.1417(3) 0.0244(14) Uani 1 1 d . . .
N15 N 0.6619(4) 0.3829(3) 0.1479(3) 0.0289(16) Uani 1 1 d . . .
N16 N 0.6804(4) 0.4102(4) 0.0864(3) 0.0294(16) Uani 1 1 d . . .
N17 N 0.7341(4) 0.2666(4) 0.2202(3) 0.0329(16) Uani 1 1 d . . .
N18 N 0.6498(4) 0.1733(3) 0.2174(3) 0.0333(17) Uani 1 1 d . . .
N19 N 0.8203(4) 0.3631(3) -0.0078(3) 0.0309(16) Uani 1 1 d . . .
N20 N 0.7366(4) 0.2642(4) -0.0122(3) 0.0328(16) Uani 1 1 d . . .
N21 N 0.2607(4) 0.5747(4) 0.3089(3) 0.0283(15) Uani 1 1 d . . .
N22 N 0.2424(4) 0.6189(4) 0.2618(3) 0.0272(15) Uani 1 1 d . . .
N23 N 0.0154(6) 0.3973(6) 0.2144(6) 0.063(3) Uani 1 1 d . . .
N25 N 0.7788(4) 0.5147(4) 0.1640(4) 0.0410(19) Uani 1 1 d . . .
N27 N 0.4429(8) 0.1198(9) 0.7961(7) 0.096(4) Uani 1 1 d . . .
N28 N 0.3720(4) 0.1352(3) -0.0456(3) 0.0328(16) Uani 1 1 d . . .
H62 H 0.3778 0.0924 -0.0269 0.039 Uiso 1 1 calc R . .
O4 O 0.7982(4) 0.4789(4) 0.2078(3) 0.0503(17) Uani 1 1 d . . .
O5 O 0.8063(4) 0.5005(4) 0.1135(3) 0.0559(19) Uani 1 1 d . . .
O6 O 0.7328(5) 0.5628(4) 0.1721(4) 0.066(2) Uani 1 1 d . . .
O7 O 0.0253(6) 0.3889(5) 0.2624(5) 0.087(3) Uani 1 1 d . . .
O8 O 0.0365(6) 0.3451(5) 0.1905(5) 0.099(4) Uani 1 1 d . . .
O9 O -0.0134(8) 0.4467(7) 0.1922(7) 0.130(5) Uani 1 1 d . . .
O12 O 0.3892(5) 0.1645(5) 0.7926(5) 0.084(3) Uani 1 1 d . . .
O13 O 0.5084(7) 0.1406(10) 0.7613(7) 0.157(6) Uani 1 1 d . . .
O14 O 0.4304(10) 0.0622(7) 0.8272(6) 0.150(7) Uani 1 1 d . . .
Pd1 Pd 0.17965(3) 0.50606(3) 0.37097(3) 0.02644(19) Uani 1 1 d . . .
Pd2 Pd 0.13492(3) 0.61554(3) 0.26159(3) 0.02496(19) Uani 1 1 d . . .
Pd3 Pd 0.65563(3) 0.27759(3) 0.18057(3) 0.02631(19) Uani 1 1 d . . .
Pd4 Pd 0.20452(3) 0.12017(3) 0.00093(3) 0.0274(2) Uani 1 1 d . . .
Pd5 Pd 0.70764(3) 0.33768(3) 0.03616(3) 0.02495(19) Uani 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
C1 C2 1.338(13) . ?
C1 N11 1.371(12) . ?
C1 H1 0.9300 . ?
C2 C3 1.399(14) . ?
C2 H2 0.9300 . ?
C3 C4 1.338(14) . ?
C3 C12 1.516(13) . ?
C4 C5 1.392(13) . ?
C4 H4 0.9300 . ?
C5 N11 1.386(11) . ?
C5 C6 1.488(13) . ?
C6 N12 1.341(11) . ?
C6 C7 1.376(12) . ?
C7 C8 1.379(15) . ?
C7 H7 0.9300 . ?
C8 C9 1.419(15) . ?
C8 C11 1.521(14) . ?
C9 C10 1.405(13) . ?
C9 H9 0.9300 . ?
C10 N12 1.318(11) . ?
C10 H10 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.328(13) . ?
C13 N9 1.353(11) . ?
C13 H13 0.9300 . ?
C14 C15 1.379(12) . ?
C14 H14 0.9300 . ?
C15 C16 1.409(13) . ?
C15 C24 1.513(13) . ?
C16 C17 1.371(12) . ?
C16 H16 0.9300 . ?
C17 N9 1.358(10) . ?
C17 C18 1.453(12) . ?
C18 N10 1.378(11) . ?
C18 C19 1.389(12) . ?
C19 C20 1.374(13) . ?
C19 H19 0.9300 . ?
C20 C21 1.352(13) . ?
C20 C23 1.533(14) . ?
C21 C22 1.399(12) . ?
C21 H21 0.9300 . ?
C22 N10 1.348(11) . ?
C22 H22 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.501(12) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 N22 1.354(10) . ?
C26 C27 1.384(10) . ?
C27 C28 1.401(11) . ?
C27 C65 1.464(11) . ?
C28 N21 1.338(10) . ?
C28 C29 1.493(12) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 C31 1.487(12) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 N8 1.352(10) . ?
C31 C32 1.388(11) . ?
C32 C33 1.367(11) . ?
C32 C35 1.509(10) . ?
C33 N7 1.353(10) . ?
C33 C34 1.489(12) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 C102 1.338(11) . ?
C35 C39 1.420(11) . ?
C36 C102 1.423(11) . ?
C36 C37 1.425(12) . ?
C36 C40 1.460(12) . ?
C37 C38 1.377(11) . ?
C37 H37 0.9300 . ?
C38 C39 1.391(11) . ?
C38 C47 1.503(11) . ?
C39 H39 0.9300 . ?
C40 C42 1.385(12) . ?
C40 C41 1.411(11) . ?
C41 N6 1.320(11) . ?
C41 C44 1.503(11) . ?
C42 N5 1.334(11) . ?
C42 C43 1.487(12) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 C46 1.541(13) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 N13 1.315(11) . ?
C46 C47 1.379(11) . ?
C47 C48 1.349(12) . ?
C48 N14 1.320(11) . ?
C48 C49 1.498(12) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 N2 1.345(11) . ?
C50 C51 1.400(12) . ?
C50 H50 0.9300 . ?
C51 C52 1.366(13) . ?
C51 H51 0.9300 . ?
C52 C53 1.392(13) . ?
C52 C61 1.538(13) . ?
C53 C54 1.392(12) . ?
C53 H53 0.9300 . ?
C54 N2 1.330(11) . ?
C54 C55 1.456(11) . ?
C55 C56 1.370(12) . ?
C55 N1 1.391(10) . ?
C56 C57 1.391(13) . ?
C56 H56 0.9300 . ?
C57 C58 1.407(13) . ?
C57 C60 1.494(12) . ?
C58 C59 1.347(13) . ?
C58 H58 0.9300 . ?
C59 N1 1.350(11) . ?
C59 H59 0.9300 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 N3 1.374(11) . ?
C62 C71 1.399(12) 2_665 ?
C62 C101 1.500(12) . ?
C63 C71 1.394(12) 2_665 ?
C63 N28 1.374(10) . ?
C63 C64 1.435(13) . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 C66 1.361(11) . ?
C65 C70 1.426(11) . ?
C66 C67 1.414(11) . ?
C66 H66 0.9300 . ?
C67 C68 1.374(11) . ?
C67 C72 1.501(11) . ?
C68 C69 1.388(11) . ?
C68 H68 0.9300 . ?
C69 C70 1.381(11) . ?
C69 C71 1.485(11) . ?
C70 H70 0.9300 . ?
C71 C63 1.394(12) 2_665 ?
C71 C62 1.399(12) 2_665 ?
C72 C73 1.387(11) . ?
C72 C74 1.380(12) . ?
C73 N15 1.366(10) . ?
C73 C76 1.495(11) . ?
C74 N16 1.319(10) . ?
C74 C75 1.499(12) . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C77 N17 1.370(11) . ?
C77 C78 1.383(13) . ?
C77 H77 0.9300 . ?
C78 C79 1.372(14) . ?
C78 H78 0.9300 . ?
C79 C80 1.368(14) . ?
C79 C88 1.513(14) . ?
C80 C81 1.438(13) . ?
C80 H80 0.9300 . ?
C81 N17 1.328(11) . ?
C81 C82 1.476(13) . ?
C82 N18 1.311(12) . ?
C82 C83 1.386(13) . ?
C83 C84 1.334(15) . ?
C83 H83 0.9300 . ?
C84 C85 1.428(15) . ?
C84 C87 1.508(14) . ?
C85 C86 1.395(13) . ?
C85 H85 0.9300 . ?
C86 N18 1.342(12) . ?
C86 H86 0.9300 . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C87 H87C 0.9600 . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?
C89 N20 1.351(11) . ?
C89 C90 1.351(12) . ?
C89 H89 0.9300 . ?
C90 C91 1.402(12) . ?
C90 H90 0.9300 . ?
C91 C92 1.377(12) . ?
C91 C99 1.508(12) . ?
C92 C93 1.382(11) . ?
C92 H92 0.9300 . ?
C93 N20 1.369(11) . ?
C93 C94 1.491(12) . ?
C94 C95 1.373(12) . ?
C94 N19 1.400(11) . ?
C95 C96 1.377(12) . ?
C95 H95 0.9300 . ?
C96 C97 1.387(13) . ?
C96 C100 1.486(12) . ?
C97 C98 1.358(12) . ?
C97 H97 0.9300 . ?
C98 N19 1.284(10) . ?
C98 H98 0.9300 . ?
C99 H99A 0.9600 . ?
C99 H99B 0.9600 . ?
C99 H99C 0.9600 . ?
C100 H10A 0.9600 . ?
C100 H10B 0.9600 . ?
C100 H10C 0.9600 . ?
C101 H10D 0.9600 . ?
C101 H10E 0.9600 . ?
C101 H10F 0.9600 . ?
C102 H102 0.9300 . ?
N1 Pd4 2.017(6) . ?
N2 Pd4 1.999(6) . ?
N3 N28 1.333(10) . ?
N3 Pd4 2.011(7) . ?
N5 N6 1.353(10) . ?
N5 Pd4 2.034(6) . ?
N7 N8 1.352(9) . ?
N7 Pd1 1.983(7) . ?
N8 Pd2 2.022(6) . ?
N9 Pd2 2.015(7) . ?
N10 Pd2 2.009(6) . ?
N11 Pd1 2.002(7) . ?
N12 Pd1 2.030(6) . ?
N13 N14 1.377(9) . ?
N13 Pd5 1.996(6) . ?
N14 Pd3 2.014(7) . ?
N15 N16 1.371(10) . ?
N15 Pd3 2.011(7) . ?
N16 Pd5 2.025(7) . ?
N17 Pd3 1.984(8) . ?
N18 Pd3 2.005(6) . ?
N19 Pd5 2.025(7) . ?
N20 Pd5 2.010(7) . ?
N21 N22 1.369(9) . ?
N21 Pd1 2.013(7) . ?
N22 Pd2 2.011(7) . ?
N23 O9 1.162(15) . ?
N23 O7 1.210(14) . ?
N23 O8 1.270(13) . ?
N25 O6 1.220(10) . ?
N25 O5 1.240(10) . ?
N25 O4 1.259(11) . ?
N27 O14 1.174(17) . ?
N27 O13 1.242(17) . ?
N27 O12 1.276(16) . ?
N28 H62 0.8600 . ?
Pd1 Pd2 3.2531(14) . ?
Pd3 Pd5 3.1926(14) . ?

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
C2 C1 N11 123.3(9) . . ?
C2 C1 H1 118.4 . . ?
N11 C1 H1 118.4 . . ?
C1 C2 C3 119.7(9) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C4 C3 C2 118.0(8) . . ?
C4 C3 C12 121.9(9) . . ?
C2 C3 C12 120.1(9) . . ?
C3 C4 C5 122.8(9) . . ?
C3 C4 H4 118.6 . . ?
C5 C4 H4 118.6 . . ?
N11 C5 C4 118.7(9) . . ?
N11 C5 C6 112.8(7) . . ?
C4 C5 C6 128.4(8) . . ?
N12 C6 C7 120.6(8) . . ?
N12 C6 C5 116.4(7) . . ?
C7 C6 C5 122.9(8) . . ?
C6 C7 C8 120.7(9) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 H7 119.6 . . ?
C7 C8 C9 117.1(9) . . ?
C7 C8 C11 124.7(10) . . ?
C9 C8 C11 118.1(11) . . ?
C10 C9 C8 119.6(10) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
N12 C10 C9 119.9(8) . . ?
N12 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C3 C12 H12A 109.5 . . ?
C3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 N9 121.8(9) . . ?
C14 C13 H13 119.1 . . ?
N9 C13 H13 119.1 . . ?
C13 C14 C15 122.3(9) . . ?
C13 C14 H14 118.9 . . ?
C15 C14 H14 118.9 . . ?
C14 C15 C16 115.9(8) . . ?
C14 C15 C24 121.7(9) . . ?
C16 C15 C24 122.4(8) . . ?
C17 C16 C15 120.4(8) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
N9 C17 C16 120.7(7) . . ?
N9 C17 C18 116.4(7) . . ?
C16 C17 C18 122.9(7) . . ?
N10 C18 C19 119.3(8) . . ?
N10 C18 C17 113.6(7) . . ?
C19 C18 C17 127.1(8) . . ?
C20 C19 C18 121.4(8) . . ?
C20 C19 H19 119.3 . . ?
C18 C19 H19 119.3 . . ?
C21 C20 C19 118.7(8) . . ?
C21 C20 C23 120.5(9) . . ?
C19 C20 C23 120.7(9) . . ?
C20 C21 C22 120.1(8) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
N10 C22 C21 121.2(8) . . ?
N10 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C15 C24 H24A 109.5 . . ?
C15 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C15 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N22 C26 C27 109.8(7) . . ?
N22 C26 C25 120.3(7) . . ?
C27 C26 C25 130.0(7) . . ?
C26 C27 C28 104.3(7) . . ?
C26 C27 C65 126.5(7) . . ?
C28 C27 C65 128.8(7) . . ?
N21 C28 C27 110.0(7) . . ?
N21 C28 C29 120.7(7) . . ?
C27 C28 C29 129.3(7) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N8 C31 C32 105.9(7) . . ?
N8 C31 C30 123.1(7) . . ?
C32 C31 C30 130.8(7) . . ?
C33 C32 C31 108.1(7) . . ?
C33 C32 C35 126.2(7) . . ?
C31 C32 C35 125.6(7) . . ?
N7 C33 C32 108.1(7) . . ?
N7 C33 C34 118.8(8) . . ?
C32 C33 C34 133.0(8) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C102 C35 C39 119.1(7) . . ?
C102 C35 C32 123.9(7) . . ?
C39 C35 C32 117.0(7) . . ?
C102 C36 C37 116.7(7) . . ?
C102 C36 C40 122.3(7) . . ?
C37 C36 C40 121.0(7) . . ?
C38 C37 C36 121.3(7) . . ?
C38 C37 H37 119.4 . . ?
C36 C37 H37 119.4 . . ?
C37 C38 C39 119.3(7) . . ?
C37 C38 C47 122.1(7) . . ?
C39 C38 C47 118.6(7) . . ?
C38 C39 C35 120.7(7) . . ?
C38 C39 H39 119.6 . . ?
C35 C39 H39 119.6 . . ?
C42 C40 C41 106.7(7) . . ?
C42 C40 C36 124.8(7) . . ?
C41 C40 C36 128.5(8) . . ?
N6 C41 C40 106.4(7) . . ?
N6 C41 C44 120.4(8) . . ?
C40 C41 C44 133.2(8) . . ?
N5 C42 C40 107.7(7) . . ?
N5 C42 C43 121.3(7) . . ?
C40 C42 C43 130.7(8) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 H45A 109.5 . . ?
C46 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C46 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N13 C46 C47 110.2(8) . . ?
N13 C46 C45 119.9(7) . . ?
C47 C46 C45 129.9(8) . . ?
C48 C47 C46 105.1(8) . . ?
C48 C47 C38 126.4(7) . . ?
C46 C47 C38 128.5(7) . . ?
N14 C48 C47 109.8(8) . . ?
N14 C48 C49 119.7(8) . . ?
C47 C48 C49 130.5(8) . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N2 C50 C51 120.5(8) . . ?
N2 C50 H50 119.8 . . ?
C51 C50 H50 119.8 . . ?
C52 C51 C50 119.6(9) . . ?
C52 C51 H51 120.2 . . ?
C50 C51 H51 120.2 . . ?
C51 C52 C53 119.2(8) . . ?
C51 C52 C61 120.0(8) . . ?
C53 C52 C61 120.6(8) . . ?
C54 C53 C52 118.7(8) . . ?
C54 C53 H53 120.7 . . ?
C52 C53 H53 120.7 . . ?
N2 C54 C53 121.6(7) . . ?
N2 C54 C55 116.5(7) . . ?
C53 C54 C55 121.8(8) . . ?
C56 C55 N1 119.1(7) . . ?
C56 C55 C54 127.0(8) . . ?
N1 C55 C54 113.7(7) . . ?
C55 C56 C57 121.6(9) . . ?
C55 C56 H56 119.2 . . ?
C57 C56 H56 119.2 . . ?
C56 C57 C58 117.3(8) . . ?
C56 C57 C60 121.0(9) . . ?
C58 C57 C60 121.7(8) . . ?
C59 C58 C57 120.2(8) . . ?
C59 C58 H58 119.9 . . ?
C57 C58 H58 119.9 . . ?
C58 C59 N1 122.1(8) . . ?
C58 C59 H59 118.9 . . ?
N1 C59 H59 118.9 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C52 C61 H61A 109.5 . . ?
C52 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C52 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
N3 C62 C71 109.6(7) . 2_665 ?
N3 C62 C101 120.9(8) . . ?
C71 C62 C101 129.4(8) 2_665 . ?
C71 C63 N28 104.8(7) 2_665 . ?
C71 C63 C64 134.9(8) 2_665 . ?
N28 C63 C64 120.2(8) . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 C70 118.8(7) . . ?
C66 C65 C27 121.8(7) . . ?
C70 C65 C27 119.3(7) . . ?
C65 C66 C67 121.8(8) . . ?
C65 C66 H66 119.1 . . ?
C67 C66 H66 119.1 . . ?
C68 C67 C66 118.5(7) . . ?
C68 C67 C72 123.1(7) . . ?
C66 C67 C72 118.4(7) . . ?
C67 C68 C69 120.9(7) . . ?
C67 C68 H68 119.6 . . ?
C69 C68 H68 119.6 . . ?
C70 C69 C68 120.6(7) . . ?
C70 C69 C71 120.2(7) . . ?
C68 C69 C71 119.3(7) . . ?
C69 C70 C65 119.4(7) . . ?
C69 C70 H70 120.3 . . ?
C65 C70 H70 120.3 . . ?
C63 C71 C62 106.8(7) 2_665 2_665 ?
C63 C71 C69 125.4(8) 2_665 . ?
C62 C71 C69 127.8(8) 2_665 . ?
C73 C72 C74 105.6(7) . . ?
C73 C72 C67 126.4(8) . . ?
C74 C72 C67 128.0(7) . . ?
C72 C73 N15 108.6(7) . . ?
C72 C73 C76 130.1(7) . . ?
N15 C73 C76 121.3(7) . . ?
N16 C74 C72 109.6(7) . . ?
N16 C74 C75 121.8(7) . . ?
C72 C74 C75 128.2(7) . . ?
C74 C75 H75A 109.5 . . ?
C74 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C74 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C73 C76 H76A 109.5 . . ?
C73 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C73 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N17 C77 C78 123.1(9) . . ?
N17 C77 H77 118.4 . . ?
C78 C77 H77 118.4 . . ?
C79 C78 C77 119.3(9) . . ?
C79 C78 H78 120.4 . . ?
C77 C78 H78 120.4 . . ?
C80 C79 C78 118.4(9) . . ?
C80 C79 C88 120.6(10) . . ?
C78 C79 C88 120.9(10) . . ?
C79 C80 C81 120.7(9) . . ?
C79 C80 H80 119.7 . . ?
C81 C80 H80 119.7 . . ?
N17 C81 C80 120.1(8) . . ?
N17 C81 C82 114.8(8) . . ?
C80 C81 C82 125.0(8) . . ?
N18 C82 C83 121.5(9) . . ?
N18 C82 C81 113.5(7) . . ?
C83 C82 C81 125.0(9) . . ?
C84 C83 C82 122.0(11) . . ?
C84 C83 H83 119.0 . . ?
C82 C83 H83 119.0 . . ?
C83 C84 C85 118.1(9) . . ?
C83 C84 C87 123.4(11) . . ?
C85 C84 C87 118.4(10) . . ?
C86 C85 C84 116.1(10) . . ?
C86 C85 H85 122.0 . . ?
C84 C85 H85 122.0 . . ?
N18 C86 C85 124.0(9) . . ?
N18 C86 H86 118.0 . . ?
C85 C86 H86 118.0 . . ?
C84 C87 H87A 109.5 . . ?
C84 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C84 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C79 C88 H88A 109.5 . . ?
C79 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C79 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
N20 C89 C90 121.2(8) . . ?
N20 C89 H89 119.4 . . ?
C90 C89 H89 119.4 . . ?
C89 C90 C91 120.8(7) . . ?
C89 C90 H90 119.6 . . ?
C91 C90 H90 119.6 . . ?
C92 C91 C90 117.7(7) . . ?
C92 C91 C99 122.4(8) . . ?
C90 C91 C99 119.7(8) . . ?
C93 C92 C91 119.9(8) . . ?
C93 C92 H92 120.0 . . ?
C91 C92 H92 120.0 . . ?
N20 C93 C92 121.0(8) . . ?
N20 C93 C94 114.1(7) . . ?
C92 C93 C94 124.8(7) . . ?
C95 C94 N19 119.2(7) . . ?
C95 C94 C93 125.4(7) . . ?
N19 C94 C93 115.4(7) . . ?
C96 C95 C94 121.7(8) . . ?
C96 C95 H95 119.1 . . ?
C94 C95 H95 119.1 . . ?
C95 C96 C97 116.7(8) . . ?
C95 C96 C100 121.1(8) . . ?
C97 C96 C100 122.1(8) . . ?
C96 C97 C98 119.4(8) . . ?
C96 C97 H97 120.3 . . ?
C98 C97 H97 120.3 . . ?
N19 C98 C97 125.1(8) . . ?
N19 C98 H98 117.5 . . ?
C97 C98 H98 117.5 . . ?
C91 C99 H99A 109.5 . . ?
C91 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C91 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C96 C100 H10A 109.5 . . ?
C96 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C96 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C62 C101 H10D 109.5 . . ?
C62 C101 H10E 109.5 . . ?
H10D C101 H10E 109.5 . . ?
C62 C101 H10F 109.5 . . ?
H10D C101 H10F 109.5 . . ?
H10E C101 H10F 109.5 . . ?
C35 C102 C36 122.7(7) . . ?
C35 C102 H102 118.6 . . ?
C36 C102 H102 118.6 . . ?
C59 N1 C55 119.6(7) . . ?
C59 N1 Pd4 126.8(6) . . ?
C55 N1 Pd4 113.6(5) . . ?
C54 N2 C50 120.3(7) . . ?
C54 N2 Pd4 115.1(5) . . ?
C50 N2 Pd4 124.6(6) . . ?
N28 N3 C62 105.1(6) . . ?
N28 N3 Pd4 120.7(5) . . ?
C62 N3 Pd4 126.2(5) . . ?
C42 N5 N6 108.5(6) . . ?
C42 N5 Pd4 129.2(6) . . ?
N6 N5 Pd4 120.3(6) . . ?
C41 N6 N5 110.7(7) . . ?
N8 N7 C33 107.6(6) . . ?
N8 N7 Pd1 118.1(5) . . ?
C33 N7 Pd1 131.7(5) . . ?
N7 N8 C31 110.2(6) . . ?
N7 N8 Pd2 118.5(5) . . ?
C31 N8 Pd2 127.9(5) . . ?
C17 N9 C13 118.7(7) . . ?
C17 N9 Pd2 114.1(5) . . ?
C13 N9 Pd2 127.1(6) . . ?
C22 N10 C18 119.2(7) . . ?
C22 N10 Pd2 125.7(5) . . ?
C18 N10 Pd2 115.1(5) . . ?
C5 N11 C1 117.5(8) . . ?
C5 N11 Pd1 115.3(6) . . ?
C1 N11 Pd1 127.1(6) . . ?
C10 N12 C6 122.0(7) . . ?
C10 N12 Pd1 123.9(6) . . ?
C6 N12 Pd1 114.2(6) . . ?
C46 N13 N14 106.5(6) . . ?
C46 N13 Pd5 133.4(6) . . ?
N14 N13 Pd5 116.3(5) . . ?
C48 N14 N13 108.3(7) . . ?
C48 N14 Pd3 130.2(6) . . ?
N13 N14 Pd3 117.5(4) . . ?
N16 N15 C73 106.9(6) . . ?
N16 N15 Pd3 118.6(5) . . ?
C73 N15 Pd3 127.7(6) . . ?
C74 N16 N15 109.3(6) . . ?
C74 N16 Pd5 131.8(6) . . ?
N15 N16 Pd5 115.0(5) . . ?
C81 N17 C77 118.3(8) . . ?
C81 N17 Pd3 115.6(6) . . ?
C77 N17 Pd3 126.1(6) . . ?
C82 N18 C86 118.3(7) . . ?
C82 N18 Pd3 116.3(6) . . ?
C86 N18 Pd3 125.3(6) . . ?
C98 N19 C94 117.9(7) . . ?
C98 N19 Pd5 129.1(6) . . ?
C94 N19 Pd5 113.0(5) . . ?
C89 N20 C93 119.0(7) . . ?
C89 N20 Pd5 125.3(6) . . ?
C93 N20 Pd5 115.4(6) . . ?
C28 N21 N22 108.0(6) . . ?
C28 N21 Pd1 129.1(6) . . ?
N22 N21 Pd1 117.5(5) . . ?
N21 N22 C26 108.0(6) . . ?
N21 N22 Pd2 118.3(5) . . ?
C26 N22 Pd2 130.4(5) . . ?
O9 N23 O7 124.5(12) . . ?
O9 N23 O8 121.5(14) . . ?
O7 N23 O8 114.0(13) . . ?
O6 N25 O5 121.0(9) . . ?
O6 N25 O4 119.0(9) . . ?
O5 N25 O4 119.9(8) . . ?
O14 N27 O13 122.9(18) . . ?
O14 N27 O12 122.3(16) . . ?
O13 N27 O12 114.6(16) . . ?
N3 N28 C63 113.5(7) . . ?
N3 N28 H62 123.3 . . ?
C63 N28 H62 123.3 . . ?
N7 Pd1 N21 84.9(2) . . ?
N7 Pd1 N11 96.1(3) . . ?
N21 Pd1 N11 178.9(3) . . ?
N7 Pd1 N12 177.3(3) . . ?
N21 Pd1 N12 97.8(3) . . ?
N11 Pd1 N12 81.2(3) . . ?
N7 Pd1 Pd2 62.33(17) . . ?
N21 Pd1 Pd2 62.2(2) . . ?
N11 Pd1 Pd2 118.5(2) . . ?
N12 Pd1 Pd2 118.6(2) . . ?
N10 Pd2 N22 97.3(3) . . ?
N10 Pd2 N9 80.8(3) . . ?
N22 Pd2 N9 177.1(3) . . ?
N10 Pd2 N8 178.4(3) . . ?
N22 Pd2 N8 84.4(3) . . ?
N9 Pd2 N8 97.6(3) . . ?
N10 Pd2 Pd1 119.52(18) . . ?
N22 Pd2 Pd1 61.95(19) . . ?
N9 Pd2 Pd1 117.07(19) . . ?
N8 Pd2 Pd1 60.96(18) . . ?
N17 Pd3 N18 79.7(3) . . ?
N17 Pd3 N15 97.9(3) . . ?
N18 Pd3 N15 176.8(3) . . ?
N17 Pd3 N14 176.4(3) . . ?
N18 Pd3 N14 96.7(3) . . ?
N15 Pd3 N14 85.6(3) . . ?
N17 Pd3 Pd5 118.9(2) . . ?
N18 Pd3 Pd5 120.4(2) . . ?
N15 Pd3 Pd5 62.6(2) . . ?
N14 Pd3 Pd5 62.55(18) . . ?
N2 Pd4 N3 178.3(3) . . ?
N2 Pd4 N1 81.0(3) . . ?
N3 Pd4 N1 97.8(3) . . ?
N2 Pd4 N5 95.3(3) . . ?
N3 Pd4 N5 85.8(3) . . ?
N1 Pd4 N5 176.0(3) . . ?
N13 Pd5 N20 95.5(3) . . ?
N13 Pd5 N19 177.2(3) . . ?
N20 Pd5 N19 82.1(3) . . ?
N13 Pd5 N16 85.1(3) . . ?
N20 Pd5 N16 178.3(3) . . ?
N19 Pd5 N16 97.2(3) . . ?
N13 Pd5 Pd3 63.6(2) . . ?
N20 Pd5 Pd3 115.1(2) . . ?
N19 Pd5 Pd3 116.1(2) . . ?
N16 Pd5 Pd3 63.7(2) . . ?

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
N11 C1 C2 C3 -0.8(16) . . . . ?
C1 C2 C3 C4 -0.5(15) . . . . ?
C1 C2 C3 C12 -178.4(10) . . . . ?
C2 C3 C4 C5 0.9(15) . . . . ?
C12 C3 C4 C5 178.6(9) . . . . ?
C3 C4 C5 N11 0.2(14) . . . . ?
C3 C4 C5 C6 177.5(9) . . . . ?
N11 C5 C6 N12 -2.1(11) . . . . ?
C4 C5 C6 N12 -179.6(9) . . . . ?
N11 C5 C6 C7 174.9(8) . . . . ?
C4 C5 C6 C7 -2.5(15) . . . . ?
N12 C6 C7 C8 -1.8(14) . . . . ?
C5 C6 C7 C8 -178.8(9) . . . . ?
C6 C7 C8 C9 0.8(15) . . . . ?
C6 C7 C8 C11 176.5(10) . . . . ?
C7 C8 C9 C10 -0.6(15) . . . . ?
C11 C8 C9 C10 -176.7(10) . . . . ?
C8 C9 C10 N12 1.6(15) . . . . ?
N9 C13 C14 C15 2.6(14) . . . . ?
C13 C14 C15 C16 -3.2(13) . . . . ?
C13 C14 C15 C24 178.7(10) . . . . ?
C14 C15 C16 C17 3.0(13) . . . . ?
C24 C15 C16 C17 -178.8(10) . . . . ?
C15 C16 C17 N9 -2.3(13) . . . . ?
C15 C16 C17 C18 179.2(8) . . . . ?
N9 C17 C18 N10 0.7(11) . . . . ?
C16 C17 C18 N10 179.2(8) . . . . ?
N9 C17 C18 C19 -176.9(8) . . . . ?
C16 C17 C18 C19 1.5(14) . . . . ?
N10 C18 C19 C20 0.4(13) . . . . ?
C17 C18 C19 C20 177.9(9) . . . . ?
C18 C19 C20 C21 -0.6(14) . . . . ?
C18 C19 C20 C23 -179.9(9) . . . . ?
C19 C20 C21 C22 1.4(13) . . . . ?
C23 C20 C21 C22 -179.3(9) . . . . ?
C20 C21 C22 N10 -2.1(13) . . . . ?
N22 C26 C27 C28 -0.5(9) . . . . ?
C25 C26 C27 C28 178.3(8) . . . . ?
N22 C26 C27 C65 172.6(7) . . . . ?
C25 C26 C27 C65 -8.6(14) . . . . ?
C26 C27 C28 N21 -0.4(9) . . . . ?
C65 C27 C28 N21 -173.3(8) . . . . ?
C26 C27 C28 C29 177.5(8) . . . . ?
C65 C27 C28 C29 4.6(14) . . . . ?
N8 C31 C32 C33 1.6(9) . . . . ?
C30 C31 C32 C33 176.9(9) . . . . ?
N8 C31 C32 C35 -176.1(7) . . . . ?
C30 C31 C32 C35 -0.8(14) . . . . ?
C31 C32 C33 N7 -0.9(9) . . . . ?
C35 C32 C33 N7 176.7(7) . . . . ?
C31 C32 C33 C34 -179.0(10) . . . . ?
C35 C32 C33 C34 -1.3(15) . . . . ?
C33 C32 C35 C102 126.1(10) . . . . ?
C31 C32 C35 C102 -56.6(12) . . . . ?
C33 C32 C35 C39 -53.7(11) . . . . ?
C31 C32 C35 C39 123.6(9) . . . . ?
C102 C36 C37 C38 4.7(11) . . . . ?
C40 C36 C37 C38 -175.0(8) . . . . ?
C36 C37 C38 C39 -4.7(12) . . . . ?
C36 C37 C38 C47 176.2(7) . . . . ?
C37 C38 C39 C35 2.2(12) . . . . ?
C47 C38 C39 C35 -178.6(7) . . . . ?
C102 C35 C39 C38 0.1(12) . . . . ?
C32 C35 C39 C38 179.9(7) . . . . ?
C102 C36 C40 C42 -136.7(8) . . . . ?
C37 C36 C40 C42 42.9(12) . . . . ?
C102 C36 C40 C41 45.3(13) . . . . ?
C37 C36 C40 C41 -135.1(9) . . . . ?
C42 C40 C41 N6 1.3(9) . . . . ?
C36 C40 C41 N6 179.6(8) . . . . ?
C42 C40 C41 C44 -179.3(8) . . . . ?
C36 C40 C41 C44 -1.1(15) . . . . ?
C41 C40 C42 N5 -1.8(9) . . . . ?
C36 C40 C42 N5 179.8(8) . . . . ?
C41 C40 C42 C43 -175.4(8) . . . . ?
C36 C40 C42 C43 6.3(14) . . . . ?
N13 C46 C47 C48 0.2(9) . . . . ?
C45 C46 C47 C48 -177.2(9) . . . . ?
N13 C46 C47 C38 178.5(7) . . . . ?
C45 C46 C47 C38 1.1(14) . . . . ?
C37 C38 C47 C48 -127.7(9) . . . . ?
C39 C38 C47 C48 53.2(11) . . . . ?
C37 C38 C47 C46 54.3(12) . . . . ?
C39 C38 C47 C46 -124.8(9) . . . . ?
C46 C47 C48 N14 -1.2(9) . . . . ?
C38 C47 C48 N14 -179.5(7) . . . . ?
C46 C47 C48 C49 -179.4(9) . . . . ?
C38 C47 C48 C49 2.3(14) . . . . ?
N2 C50 C51 C52 -3.4(14) . . . . ?
C50 C51 C52 C53 2.0(14) . . . . ?
C50 C51 C52 C61 178.1(9) . . . . ?
C51 C52 C53 C54 -0.7(14) . . . . ?
C61 C52 C53 C54 -176.8(9) . . . . ?
C52 C53 C54 N2 0.9(14) . . . . ?
C52 C53 C54 C55 176.4(8) . . . . ?
N2 C54 C55 C56 174.6(8) . . . . ?
C53 C54 C55 C56 -1.1(14) . . . . ?
N2 C54 C55 N1 0.4(11) . . . . ?
C53 C54 C55 N1 -175.3(8) . . . . ?
N1 C55 C56 C57 -0.6(13) . . . . ?
C54 C55 C56 C57 -174.6(8) . . . . ?
C55 C56 C57 C58 0.5(14) . . . . ?
C55 C56 C57 C60 -178.3(9) . . . . ?
C56 C57 C58 C59 -1.8(14) . . . . ?
C60 C57 C58 C59 177.0(9) . . . . ?
C57 C58 C59 N1 3.4(15) . . . . ?
C26 C27 C65 C66 -120.7(9) . . . . ?
C28 C27 C65 C66 50.8(13) . . . . ?
C26 C27 C65 C70 60.3(12) . . . . ?
C28 C27 C65 C70 -128.2(9) . . . . ?
C70 C65 C66 C67 -2.1(12) . . . . ?
C27 C65 C66 C67 178.8(7) . . . . ?
C65 C66 C67 C68 1.6(12) . . . . ?
C65 C66 C67 C72 -179.0(7) . . . . ?
C66 C67 C68 C69 -0.5(12) . . . . ?
C72 C67 C68 C69 -179.8(8) . . . . ?
C67 C68 C69 C70 0.0(13) . . . . ?
C67 C68 C69 C71 -179.7(8) . . . . ?
C68 C69 C70 C65 -0.6(13) . . . . ?
C71 C69 C70 C65 179.2(8) . . . . ?
C66 C65 C70 C69 1.6(12) . . . . ?
C27 C65 C70 C69 -179.3(8) . . . . ?
C70 C69 C71 C63 -46.5(13) . . . 2_665 ?
C68 C69 C71 C63 133.2(9) . . . 2_665 ?
C70 C69 C71 C62 134.5(9) . . . 2_665 ?
C68 C69 C71 C62 -45.7(13) . . . 2_665 ?
C68 C67 C72 C73 126.1(9) . . . . ?
C66 C67 C72 C73 -53.3(11) . . . . ?
C68 C67 C72 C74 -52.7(12) . . . . ?
C66 C67 C72 C74 127.9(9) . . . . ?
C74 C72 C73 N15 -0.5(9) . . . . ?
C67 C72 C73 N15 -179.5(7) . . . . ?
C74 C72 C73 C76 179.0(8) . . . . ?
C67 C72 C73 C76 0.0(14) . . . . ?
C73 C72 C74 N16 2.0(9) . . . . ?
C67 C72 C74 N16 -179.0(8) . . . . ?
C73 C72 C74 C75 175.2(8) . . . . ?
C67 C72 C74 C75 -5.8(14) . . . . ?
N17 C77 C78 C79 -1.3(14) . . . . ?
C77 C78 C79 C80 4.0(14) . . . . ?
C77 C78 C79 C88 -178.4(9) . . . . ?
C78 C79 C80 C81 -3.7(14) . . . . ?
C88 C79 C80 C81 178.7(9) . . . . ?
C79 C80 C81 N17 0.6(13) . . . . ?
C79 C80 C81 C82 -176.2(9) . . . . ?
N17 C81 C82 N18 1.5(11) . . . . ?
C80 C81 C82 N18 178.5(8) . . . . ?
N17 C81 C82 C83 179.2(9) . . . . ?
C80 C81 C82 C83 -3.8(14) . . . . ?
N18 C82 C83 C84 -4.0(15) . . . . ?
C81 C82 C83 C84 178.5(9) . . . . ?
C82 C83 C84 C85 4.2(15) . . . . ?
C82 C83 C84 C87 -177.5(10) . . . . ?
C83 C84 C85 C86 -2.1(13) . . . . ?
C87 C84 C85 C86 179.4(9) . . . . ?
C84 C85 C86 N18 -0.1(13) . . . . ?
N20 C89 C90 C91 6.0(13) . . . . ?
C89 C90 C91 C92 -3.1(12) . . . . ?
C89 C90 C91 C99 -179.3(8) . . . . ?
C90 C91 C92 C93 0.9(12) . . . . ?
C99 C91 C92 C93 177.0(8) . . . . ?
C91 C92 C93 N20 -1.5(12) . . . . ?
C91 C92 C93 C94 174.4(8) . . . . ?
N20 C93 C94 C95 179.8(8) . . . . ?
C92 C93 C94 C95 3.6(13) . . . . ?
N20 C93 C94 N19 -0.9(10) . . . . ?
C92 C93 C94 N19 -177.1(8) . . . . ?
N19 C94 C95 C96 2.3(12) . . . . ?
C93 C94 C95 C96 -178.4(8) . . . . ?
C94 C95 C96 C97 -0.4(12) . . . . ?
C94 C95 C96 C100 177.3(8) . . . . ?
C95 C96 C97 C98 -2.1(12) . . . . ?
C100 C96 C97 C98 -179.8(8) . . . . ?
C96 C97 C98 N19 3.0(14) . . . . ?
C39 C35 C102 C36 0.0(12) . . . . ?
C32 C35 C102 C36 -179.7(7) . . . . ?
C37 C36 C102 C35 -2.3(12) . . . . ?
C40 C36 C102 C35 177.3(8) . . . . ?
C58 C59 N1 C55 -3.5(14) . . . . ?
C58 C59 N1 Pd4 176.3(7) . . . . ?
C56 C55 N1 C59 2.1(13) . . . . ?
C54 C55 N1 C59 176.8(8) . . . . ?
C56 C55 N1 Pd4 -177.8(6) . . . . ?
C54 C55 N1 Pd4 -3.0(9) . . . . ?
C53 C54 N2 C50 -2.4(13) . . . . ?
C55 C54 N2 C50 -178.1(8) . . . . ?
C53 C54 N2 Pd4 178.2(7) . . . . ?
C55 C54 N2 Pd4 2.5(10) . . . . ?
C51 C50 N2 C54 3.6(13) . . . . ?
C51 C50 N2 Pd4 -177.1(7) . . . . ?
C71 C62 N3 N28 -3.7(9) 2_665 . . . ?
C101 C62 N3 N28 174.3(7) . . . . ?
C71 C62 N3 Pd4 144.8(6) 2_665 . . . ?
C101 C62 N3 Pd4 -37.2(11) . . . . ?
C40 C42 N5 N6 1.6(9) . . . . ?
C43 C42 N5 N6 175.9(7) . . . . ?
C40 C42 N5 Pd4 165.6(6) . . . . ?
C43 C42 N5 Pd4 -20.1(11) . . . . ?
C40 C41 N6 N5 -0.4(9) . . . . ?
C44 C41 N6 N5 -179.8(7) . . . . ?
C42 N5 N6 C41 -0.8(9) . . . . ?
Pd4 N5 N6 C41 -166.5(5) . . . . ?
C32 C33 N7 N8 -0.1(9) . . . . ?
C34 C33 N7 N8 178.3(8) . . . . ?
C32 C33 N7 Pd1 -161.3(5) . . . . ?
C34 C33 N7 Pd1 17.1(12) . . . . ?
C33 N7 N8 C31 1.1(8) . . . . ?
Pd1 N7 N8 C31 165.3(5) . . . . ?
C33 N7 N8 Pd2 -159.8(5) . . . . ?
Pd1 N7 N8 Pd2 4.4(7) . . . . ?
C32 C31 N8 N7 -1.7(9) . . . . ?
C30 C31 N8 N7 -177.4(8) . . . . ?
C32 C31 N8 Pd2 156.9(6) . . . . ?
C30 C31 N8 Pd2 -18.8(12) . . . . ?
C16 C17 N9 C13 1.6(12) . . . . ?
C18 C17 N9 C13 -179.9(8) . . . . ?
C16 C17 N9 Pd2 -179.5(7) . . . . ?
C18 C17 N9 Pd2 -1.0(9) . . . . ?
C14 C13 N9 C17 -1.7(13) . . . . ?
C14 C13 N9 Pd2 179.6(7) . . . . ?
C21 C22 N10 C18 1.9(12) . . . . ?
C21 C22 N10 Pd2 -176.8(6) . . . . ?
C19 C18 N10 C22 -1.0(12) . . . . ?
C17 C18 N10 C22 -178.9(7) . . . . ?
C19 C18 N10 Pd2 177.8(6) . . . . ?
C17 C18 N10 Pd2 -0.1(9) . . . . ?
C4 C5 N11 C1 -1.5(13) . . . . ?
C6 C5 N11 C1 -179.2(8) . . . . ?
C4 C5 N11 Pd1 -178.2(7) . . . . ?
C6 C5 N11 Pd1 4.0(10) . . . . ?
C2 C1 N11 C5 1.8(15) . . . . ?
C2 C1 N11 Pd1 178.2(8) . . . . ?
C9 C10 N12 C6 -2.6(14) . . . . ?
C9 C10 N12 Pd1 178.1(7) . . . . ?
C7 C6 N12 C10 2.8(13) . . . . ?
C5 C6 N12 C10 180.0(8) . . . . ?
C7 C6 N12 Pd1 -177.9(7) . . . . ?
C5 C6 N12 Pd1 -0.7(10) . . . . ?
C47 C46 N13 N14 0.8(8) . . . . ?
C45 C46 N13 N14 178.5(7) . . . . ?
C47 C46 N13 Pd5 -155.7(6) . . . . ?
C45 C46 N13 Pd5 22.0(12) . . . . ?
C47 C48 N14 N13 1.7(9) . . . . ?
C49 C48 N14 N13 -179.9(7) . . . . ?
C47 C48 N14 Pd3 158.2(6) . . . . ?
C49 C48 N14 Pd3 -23.3(11) . . . . ?
C46 N13 N14 C48 -1.6(8) . . . . ?
Pd5 N13 N14 C48 159.6(5) . . . . ?
C46 N13 N14 Pd3 -161.5(5) . . . . ?
Pd5 N13 N14 Pd3 -0.4(6) . . . . ?
C72 C73 N15 N16 -1.1(8) . . . . ?
C76 C73 N15 N16 179.4(7) . . . . ?
C72 C73 N15 Pd3 -151.1(6) . . . . ?
C76 C73 N15 Pd3 29.4(10) . . . . ?
C72 C74 N16 N15 -2.8(9) . . . . ?
C75 C74 N16 N15 -176.5(7) . . . . ?
C72 C74 N16 Pd5 153.3(6) . . . . ?
C75 C74 N16 Pd5 -20.4(12) . . . . ?
C73 N15 N16 C74 2.4(8) . . . . ?
Pd3 N15 N16 C74 155.6(6) . . . . ?
C73 N15 N16 Pd5 -158.1(5) . . . . ?
Pd3 N15 N16 Pd5 -4.9(7) . . . . ?
C80 C81 N17 C77 2.1(12) . . . . ?
C82 C81 N17 C77 179.3(7) . . . . ?
C80 C81 N17 Pd3 -176.4(6) . . . . ?
C82 C81 N17 Pd3 0.7(9) . . . . ?
C78 C77 N17 C81 -1.8(13) . . . . ?
C78 C77 N17 Pd3 176.6(7) . . . . ?
C83 C82 N18 C86 1.6(13) . . . . ?
C81 C82 N18 C86 179.4(7) . . . . ?
C83 C82 N18 Pd3 179.2(7) . . . . ?
C81 C82 N18 Pd3 -3.1(9) . . . . ?
C85 C86 N18 C82 0.4(13) . . . . ?
C85 C86 N18 Pd3 -177.0(7) . . . . ?
C97 C98 N19 C94 -1.0(13) . . . . ?
C97 C98 N19 Pd5 178.3(6) . . . . ?
C95 C94 N19 C98 -1.7(11) . . . . ?
C93 C94 N19 C98 179.0(7) . . . . ?
C95 C94 N19 Pd5 178.9(6) . . . . ?
C93 C94 N19 Pd5 -0.4(9) . . . . ?
C90 C89 N20 C93 -6.4(13) . . . . ?
C90 C89 N20 Pd5 -179.8(6) . . . . ?
C92 C93 N20 C89 4.1(12) . . . . ?
C94 C93 N20 C89 -172.2(7) . . . . ?
C92 C93 N20 Pd5 178.2(6) . . . . ?
C94 C93 N20 Pd5 1.9(9) . . . . ?
C27 C28 N21 N22 1.1(9) . . . . ?
C29 C28 N21 N22 -177.0(7) . . . . ?
C27 C28 N21 Pd1 153.9(6) . . . . ?
C29 C28 N21 Pd1 -24.2(11) . . . . ?
C28 N21 N22 C26 -1.4(8) . . . . ?
Pd1 N21 N22 C26 -157.8(5) . . . . ?
C28 N21 N22 Pd2 160.1(5) . . . . ?
Pd1 N21 N22 Pd2 3.6(7) . . . . ?
C27 C26 N22 N21 1.2(9) . . . . ?
C25 C26 N22 N21 -177.7(7) . . . . ?
C27 C26 N22 Pd2 -157.2(6) . . . . ?
C25 C26 N22 Pd2 23.8(11) . . . . ?
C62 N3 N28 C63 4.2(9) . . . . ?
Pd4 N3 N28 C63 -146.5(6) . . . . ?
C71 C63 N28 N3 -3.0(9) 2_665 . . . ?
C64 C63 N28 N3 178.8(8) . . . . ?
N8 N7 Pd1 N21 -63.9(5) . . . . ?
C33 N7 Pd1 N21 95.7(7) . . . . ?
N8 N7 Pd1 N11 116.3(5) . . . . ?
C33 N7 Pd1 N11 -84.1(7) . . . . ?
N8 N7 Pd1 N12 108(6) . . . . ?
C33 N7 Pd1 N12 -92(6) . . . . ?
N8 N7 Pd1 Pd2 -2.7(4) . . . . ?
C33 N7 Pd1 Pd2 156.9(8) . . . . ?
C28 N21 Pd1 N7 -91.5(7) . . . . ?
N22 N21 Pd1 N7 59.1(5) . . . . ?
C28 N21 Pd1 N11 77(17) . . . . ?
N22 N21 Pd1 N11 -132(16) . . . . ?
C28 N21 Pd1 N12 88.8(7) . . . . ?
N22 N21 Pd1 N12 -120.6(6) . . . . ?
C28 N21 Pd1 Pd2 -152.9(7) . . . . ?
N22 N21 Pd1 Pd2 -2.2(4) . . . . ?
C5 N11 Pd1 N7 176.9(6) . . . . ?
C1 N11 Pd1 N7 0.5(8) . . . . ?
C5 N11 Pd1 N21 8(17) . . . . ?
C1 N11 Pd1 N21 -168(16) . . . . ?
C5 N11 Pd1 N12 -3.5(6) . . . . ?
C1 N11 Pd1 N12 -179.9(8) . . . . ?
C5 N11 Pd1 Pd2 -121.4(6) . . . . ?
C1 N11 Pd1 Pd2 62.2(8) . . . . ?
C10 N12 Pd1 N7 -170(5) . . . . ?
C6 N12 Pd1 N7 11(6) . . . . ?
C10 N12 Pd1 N21 1.8(8) . . . . ?
C6 N12 Pd1 N21 -177.5(6) . . . . ?
C10 N12 Pd1 N11 -178.4(8) . . . . ?
C6 N12 Pd1 N11 2.3(6) . . . . ?
C10 N12 Pd1 Pd2 -60.7(8) . . . . ?
C6 N12 Pd1 Pd2 120.0(6) . . . . ?
C22 N10 Pd2 N22 0.6(7) . . . . ?
C18 N10 Pd2 N22 -178.1(5) . . . . ?
C22 N10 Pd2 N9 178.4(7) . . . . ?
C18 N10 Pd2 N9 -0.4(5) . . . . ?
C22 N10 Pd2 N8 169(8) . . . . ?
C18 N10 Pd2 N8 -9(9) . . . . ?
C22 N10 Pd2 Pd1 62.4(7) . . . . ?
C18 N10 Pd2 Pd1 -116.4(5) . . . . ?
N21 N22 Pd2 N10 117.4(5) . . . . ?
C26 N22 Pd2 N10 -86.0(7) . . . . ?
N21 N22 Pd2 N9 69(6) . . . . ?
C26 N22 Pd2 N9 -135(5) . . . . ?
N21 N22 Pd2 N8 -62.3(5) . . . . ?
C26 N22 Pd2 N8 94.4(7) . . . . ?
N21 N22 Pd2 Pd1 -2.3(5) . . . . ?
C26 N22 Pd2 Pd1 154.4(8) . . . . ?
C17 N9 Pd2 N10 0.7(5) . . . . ?
C13 N9 Pd2 N10 179.5(8) . . . . ?
C17 N9 Pd2 N22 50(6) . . . . ?
C13 N9 Pd2 N22 -132(5) . . . . ?
C17 N9 Pd2 N8 -179.5(5) . . . . ?
C13 N9 Pd2 N8 -0.8(8) . . . . ?
C17 N9 Pd2 Pd1 119.3(5) . . . . ?
C13 N9 Pd2 Pd1 -61.9(7) . . . . ?
N7 N8 Pd2 N10 -110(9) . . . . ?
C31 N8 Pd2 N10 92(9) . . . . ?
N7 N8 Pd2 N22 58.2(5) . . . . ?
C31 N8 Pd2 N22 -98.8(7) . . . . ?
N7 N8 Pd2 N9 -119.5(5) . . . . ?
C31 N8 Pd2 N9 83.4(7) . . . . ?
N7 N8 Pd2 Pd1 -2.7(4) . . . . ?
C31 N8 Pd2 Pd1 -159.8(8) . . . . ?
N7 Pd1 Pd2 N10 -180.0(3) . . . . ?
N21 Pd1 Pd2 N10 -80.6(3) . . . . ?
N11 Pd1 Pd2 N10 98.5(3) . . . . ?
N12 Pd1 Pd2 N10 2.9(3) . . . . ?
N7 Pd1 Pd2 N22 -97.9(3) . . . . ?
N21 Pd1 Pd2 N22 1.5(3) . . . . ?
N11 Pd1 Pd2 N22 -179.4(3) . . . . ?
N12 Pd1 Pd2 N22 85.0(3) . . . . ?
N7 Pd1 Pd2 N9 85.2(3) . . . . ?
N21 Pd1 Pd2 N9 -175.4(3) . . . . ?
N11 Pd1 Pd2 N9 3.7(3) . . . . ?
N12 Pd1 Pd2 N9 -91.9(3) . . . . ?
N7 Pd1 Pd2 N8 1.8(3) . . . . ?
N21 Pd1 Pd2 N8 101.2(3) . . . . ?
N11 Pd1 Pd2 N8 -79.7(3) . . . . ?
N12 Pd1 Pd2 N8 -175.3(3) . . . . ?
C81 N17 Pd3 N18 -1.8(6) . . . . ?
C77 N17 Pd3 N18 179.8(8) . . . . ?
C81 N17 Pd3 N15 176.1(6) . . . . ?
C77 N17 Pd3 N15 -2.3(7) . . . . ?
C81 N17 Pd3 N14 -9(5) . . . . ?
C77 N17 Pd3 N14 173(4) . . . . ?
C81 N17 Pd3 Pd5 -120.9(6) . . . . ?
C77 N17 Pd3 Pd5 60.7(7) . . . . ?
C82 N18 Pd3 N17 2.7(6) . . . . ?
C86 N18 Pd3 N17 -179.9(7) . . . . ?
C82 N18 Pd3 N15 -39(5) . . . . ?
C86 N18 Pd3 N15 138(5) . . . . ?
C82 N18 Pd3 N14 -177.7(6) . . . . ?
C86 N18 Pd3 N14 -0.3(7) . . . . ?
C82 N18 Pd3 Pd5 120.2(6) . . . . ?
C86 N18 Pd3 Pd5 -62.4(7) . . . . ?
N16 N15 Pd3 N17 121.6(5) . . . . ?
C73 N15 Pd3 N17 -91.4(7) . . . . ?
N16 N15 Pd3 N18 163(5) . . . . ?
C73 N15 Pd3 N18 -50(5) . . . . ?
N16 N15 Pd3 N14 -58.1(5) . . . . ?
C73 N15 Pd3 N14 88.9(7) . . . . ?
N16 N15 Pd3 Pd5 3.2(4) . . . . ?
C73 N15 Pd3 Pd5 150.1(7) . . . . ?
C48 N14 Pd3 N17 92(4) . . . . ?
N13 N14 Pd3 N17 -114(4) . . . . ?
C48 N14 Pd3 N18 84.7(7) . . . . ?
N13 N14 Pd3 N18 -120.6(5) . . . . ?
C48 N14 Pd3 N15 -93.2(7) . . . . ?
N13 N14 Pd3 N15 61.5(5) . . . . ?
C48 N14 Pd3 Pd5 -154.5(7) . . . . ?
N13 N14 Pd3 Pd5 0.2(4) . . . . ?
C54 N2 Pd4 N3 -52(10) . . . . ?
C50 N2 Pd4 N3 128(10) . . . . ?
C54 N2 Pd4 N1 -3.2(6) . . . . ?
C50 N2 Pd4 N1 177.4(8) . . . . ?
C54 N2 Pd4 N5 178.2(6) . . . . ?
C50 N2 Pd4 N5 -1.1(7) . . . . ?
N28 N3 Pd4 N2 -39(10) . . . . ?
C62 N3 Pd4 N2 177(100) . . . . ?
N28 N3 Pd4 N1 -87.7(6) . . . . ?
C62 N3 Pd4 N1 128.2(7) . . . . ?
N28 N3 Pd4 N5 90.7(6) . . . . ?
C62 N3 Pd4 N5 -53.4(7) . . . . ?
C59 N1 Pd4 N2 -176.4(9) . . . . ?
C55 N1 Pd4 N2 3.4(6) . . . . ?
C59 N1 Pd4 N3 2.2(9) . . . . ?
C55 N1 Pd4 N3 -178.0(6) . . . . ?
C59 N1 Pd4 N5 -155(4) . . . . ?
C55 N1 Pd4 N5 25(5) . . . . ?
C42 N5 Pd4 N2 113.7(7) . . . . ?
N6 N5 Pd4 N2 -83.9(6) . . . . ?
C42 N5 Pd4 N3 -65.0(7) . . . . ?
N6 N5 Pd4 N3 97.4(6) . . . . ?
C42 N5 Pd4 N1 92(5) . . . . ?
N6 N5 Pd4 N1 -105(5) . . . . ?
C46 N13 Pd5 N20 -89.6(8) . . . . ?
N14 N13 Pd5 N20 115.6(5) . . . . ?
C46 N13 Pd5 N19 -121(6) . . . . ?
N14 N13 Pd5 N19 84(6) . . . . ?
C46 N13 Pd5 N16 92.0(8) . . . . ?
N14 N13 Pd5 N16 -62.7(5) . . . . ?
C46 N13 Pd5 Pd3 155.0(8) . . . . ?
N14 N13 Pd5 Pd3 0.2(4) . . . . ?
C89 N20 Pd5 N13 -6.6(7) . . . . ?
C93 N20 Pd5 N13 179.8(6) . . . . ?
C89 N20 Pd5 N19 172.0(7) . . . . ?
C93 N20 Pd5 N19 -1.7(6) . . . . ?
C89 N20 Pd5 N16 103(10) . . . . ?
C93 N20 Pd5 N16 -70(10) . . . . ?
C89 N20 Pd5 Pd3 56.8(7) . . . . ?
C93 N20 Pd5 Pd3 -116.8(6) . . . . ?
C98 N19 Pd5 N13 -147(6) . . . . ?
C94 N19 Pd5 N13 32(6) . . . . ?
C98 N19 Pd5 N20 -178.3(8) . . . . ?
C94 N19 Pd5 N20 1.1(5) . . . . ?
C98 N19 Pd5 N16 0.1(8) . . . . ?
C94 N19 Pd5 N16 179.5(5) . . . . ?
C98 N19 Pd5 Pd3 -64.1(8) . . . . ?
C94 N19 Pd5 Pd3 115.3(5) . . . . ?
C74 N16 Pd5 N13 -89.0(7) . . . . ?
N15 N16 Pd5 N13 65.9(5) . . . . ?
C74 N16 Pd5 N20 161(10) . . . . ?
N15 N16 Pd5 N20 -44(10) . . . . ?
C74 N16 Pd5 N19 92.5(7) . . . . ?
N15 N16 Pd5 N19 -112.5(5) . . . . ?
C74 N16 Pd5 Pd3 -151.9(8) . . . . ?
N15 N16 Pd5 Pd3 3.0(4) . . . . ?
N17 Pd3 Pd5 N13 176.1(3) . . . . ?
N18 Pd3 Pd5 N13 81.2(3) . . . . ?
N15 Pd3 Pd5 N13 -100.1(3) . . . . ?
N14 Pd3 Pd5 N13 -0.2(3) . . . . ?
N17 Pd3 Pd5 N20 92.7(3) . . . . ?
N18 Pd3 Pd5 N20 -2.2(3) . . . . ?
N15 Pd3 Pd5 N20 176.5(3) . . . . ?
N14 Pd3 Pd5 N20 -83.6(3) . . . . ?
N17 Pd3 Pd5 N19 -0.8(3) . . . . ?
N18 Pd3 Pd5 N19 -95.8(3) . . . . ?
N15 Pd3 Pd5 N19 83.0(3) . . . . ?
N14 Pd3 Pd5 N19 -177.1(3) . . . . ?
N17 Pd3 Pd5 N16 -85.9(3) . . . . ?
N18 Pd3 Pd5 N16 179.2(3) . . . . ?
N15 Pd3 Pd5 N16 -2.1(3) . . . . ?
N14 Pd3 Pd5 N16 97.8(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.924
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.924
_refine_diff_density_max         4.537
_refine_diff_density_min         -1.968
_refine_diff_density_rms         0.218
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.040 -0.007 0.472 3487 1123 ' '
2 0.418 0.505 0.101 31 8 ' '
3 0.581 0.495 0.899 31 8 ' '
_platon_squeeze_details          ?

_database_code_depnum_ccdc_archive 'CCDC 1007898'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_509

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C240 H204 N48 Pd12, 12(F6 P)'
_chemical_formula_sum            'C240 H204 F72 N48 P12 Pd12'
_chemical_formula_weight         6776.95

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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   '
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   21.424(4)
_cell_length_b                   21.647(4)
_cell_length_c                   23.509(5)
_cell_angle_alpha                67.45(3)
_cell_angle_beta                 68.36(3)
_cell_angle_gamma                86.25(3)
_cell_volume                     9323(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    393(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.207
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3360
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.9029
_exptl_absorpt_correction_T_max  0.9338
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      393(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            190622
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0335
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.01
_diffrn_reflns_theta_max         28.00
_reflns_number_total             45028
_reflns_number_gt                39282
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2008)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL

_refine_special_details          SQUEEZE
# SQUEEZE RESULTS
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.010 0.000 0.482 3727 272 ' '

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0800P)²+1.8800P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         45028
_refine_ls_number_parameters     1741
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0599
_refine_ls_wR_factor_ref         0.1561
_refine_ls_wR_factor_gt          0.1540
_refine_ls_goodness_of_fit_ref   1.173
_refine_ls_restrained_S_all      1.173
_refine_ls_shift/su_max          0.000
_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
C1 C 0.82113(14) 0.52227(14) 0.16088(15) 0.0555(6) Uani 1 1 d . . .
H1 H 0.7802 0.5414 0.1688 0.067 Uiso 1 1 calc R . .
C2 C 0.88182(16) 0.56301(16) 0.11789(16) 0.0648(8) Uani 1 1 d . . .
H2 H 0.8808 0.6091 0.0971 0.078 Uiso 1 1 calc R . .
C3 C 0.94316(15) 0.53469(16) 0.10633(16) 0.0641(7) Uani 1 1 d . . .
H3 H 0.9826 0.5619 0.0764 0.077 Uiso 1 1 calc R . .
C4 C 0.94659(16) 0.46705(16) 0.13842(17) 0.0665(8) Uani 1 1 d . . .
C5 C 1.00547(16) 0.43587(16) 0.12947(17) 0.0637(7) Uani 1 1 d . . .
H5 H 1.0467 0.4612 0.1031 0.076 Uiso 1 1 calc R . .
C6 C 1.00324(16) 0.36510(17) 0.16038(17) 0.0672(8) Uani 1 1 d . . .
H6 H 1.0428 0.3437 0.1543 0.081 Uiso 1 1 calc R . .
C7 C 0.94096(16) 0.32787(16) 0.20012(16) 0.0653(8) Uani 1 1 d . . .
C8 C 0.93896(18) 0.25986(17) 0.23076(18) 0.0751(10) Uani 1 1 d . . .
H8 H 0.9791 0.2393 0.2254 0.090 Uiso 1 1 calc R . .
C9 C 0.87737(16) 0.22034(16) 0.27020(16) 0.0635(7) Uani 1 1 d . . .
H9 H 0.8760 0.1738 0.2895 0.076 Uiso 1 1 calc R . .
C10 C 0.81828(16) 0.25303(15) 0.27952(15) 0.0597(7) Uani 1 1 d . . .
H10 H 0.7769 0.2281 0.3065 0.072 Uiso 1 1 calc R . .
C11 C 0.88234(15) 0.35931(15) 0.20900(16) 0.0596(7) Uani 1 1 d . . .
C12 C 0.88507(15) 0.42986(16) 0.17781(16) 0.0621(7) Uani 1 1 d . . .
C13 C 0.60886(15) 0.23858(14) 0.19197(16) 0.0568(6) Uani 1 1 d . . .
H13 H 0.6109 0.2174 0.2339 0.068 Uiso 1 1 calc R . .
C14 C 0.59220(16) 0.19975(17) 0.16229(16) 0.0632(7) Uani 1 1 d . . .
H14 H 0.5827 0.1535 0.1843 0.076 Uiso 1 1 calc R . .
C15 C 0.59044(15) 0.23210(16) 0.10023(15) 0.0601(7) Uani 1 1 d . . .
H15 H 0.5779 0.2073 0.0808 0.072 Uiso 1 1 calc R . .
C16 C 0.60639(15) 0.29934(16) 0.06614(15) 0.0583(6) Uani 1 1 d . . .
C17 C 0.60639(15) 0.33130(17) 0.00286(16) 0.0621(7) Uani 1 1 d . . .
H17 H 0.5969 0.3063 -0.0180 0.075 Uiso 1 1 calc R . .
C18 C 0.62049(16) 0.40094(17) -0.03026(16) 0.0632(7) Uani 1 1 d . . .
H18 H 0.6197 0.4220 -0.0727 0.076 Uiso 1 1 calc R . .
C19 C 0.63584(16) 0.43912(16) 0.00020(15) 0.0598(7) Uani 1 1 d . . .
C20 C 0.65193(16) 0.50569(15) -0.02915(15) 0.0605(7) Uani 1 1 d . . .
H20 H 0.6550 0.5285 -0.0728 0.073 Uiso 1 1 calc R . .
C21 C 0.66437(15) 0.54202(15) 0.00530(15) 0.0576(6) Uani 1 1 d . . .
H21 H 0.6754 0.5882 -0.0152 0.069 Uiso 1 1 calc R . .
C22 C 0.65968(15) 0.50701(15) 0.07025(15) 0.0597(7) Uani 1 1 d . . .
H22 H 0.6673 0.5303 0.0935 0.072 Uiso 1 1 calc R . .
C23 C 0.63525(16) 0.40713(15) 0.06382(15) 0.0591(6) Uani 1 1 d . . .
C24 C 0.62181(15) 0.33700(15) 0.09683(15) 0.0586(6) Uani 1 1 d . . .
C25 C 0.76321(14) 1.08090(14) 0.18023(16) 0.0562(6) Uani 1 1 d . . .
H25 H 0.7650 1.0459 0.2179 0.067 Uiso 1 1 calc R . .
C26 C 0.77752(15) 1.14707(14) 0.17004(16) 0.0575(6) Uani 1 1 d . . .
H26 H 0.7880 1.1567 0.2010 0.069 Uiso 1 1 calc R . .
C27 C 0.77582(15) 1.19965(15) 0.11136(14) 0.0586(7) Uani 1 1 d . . .
H27 H 0.7886 1.2436 0.1025 0.070 Uiso 1 1 calc R . .
C28 C 0.75573(15) 1.18693(15) 0.06746(13) 0.0577(7) Uani 1 1 d . . .
C29 C 0.75372(15) 1.23794(16) 0.00931(15) 0.0623(7) Uani 1 1 d . . .
H29 H 0.7606 1.2828 0.0018 0.075 Uiso 1 1 calc R . .
C30 C 0.74144(17) 1.22065(16) -0.03661(16) 0.0676(8) Uani 1 1 d . . .
H30 H 0.7408 1.2540 -0.0757 0.081 Uiso 1 1 calc R . .
C31 C 0.72998(15) 1.15312(16) -0.02460(16) 0.0607(7) Uani 1 1 d . . .
C32 C 0.71746(17) 1.13471(17) -0.07147(16) 0.0678(8) Uani 1 1 d . . .
H32 H 0.7166 1.1678 -0.1106 0.081 Uiso 1 1 calc R . .
C33 C 0.70668(16) 1.06904(17) -0.05927(16) 0.0628(7) Uani 1 1 d . . .
H33 H 0.6980 1.0572 -0.0899 0.075 Uiso 1 1 calc R . .
C34 C 0.70857(14) 1.01883(14) -0.00040(15) 0.0556(6) Uani 1 1 d . . .
H34 H 0.7010 0.9739 0.0076 0.067 Uiso 1 1 calc R . .
C35 C 0.73209(15) 1.10175(14) 0.03374(15) 0.0576(6) Uani 1 1 d . . .
C36 C 0.74539(14) 1.11978(15) 0.07945(16) 0.0572(6) Uani 1 1 d . . .
C37 C 0.87405(16) 0.87163(15) -0.00643(16) 0.0611(7) Uani 1 1 d . . .
H37 H 0.8292 0.8600 0.0033 0.073 Uiso 1 1 calc R . .
C38 C 0.92280(16) 0.88063(16) -0.06815(16) 0.0620(7) Uani 1 1 d . . .
H38 H 0.9101 0.8753 -0.0999 0.074 Uiso 1 1 calc R . .
C39 C 0.98912(16) 0.89715(16) -0.08316(16) 0.0639(7) Uani 1 1 d . . .
H39 H 1.0210 0.9016 -0.1244 0.077 Uiso 1 1 calc R . .
C40 C 1.00921(15) 0.90728(15) -0.03726(15) 0.0587(7) Uani 1 1 d . . .
C41 C 1.07481(15) 0.92525(14) -0.05014(16) 0.0600(7) Uani 1 1 d . . .
H41 H 1.1075 0.9308 -0.0913 0.072 Uiso 1 1 calc R . .
C42 C 1.09373(15) 0.93528(15) -0.00468(15) 0.0611(7) Uani 1 1 d . . .
H42 H 1.1383 0.9486 -0.0150 0.073 Uiso 1 1 calc R . .
C43 C 1.04537(16) 0.92523(17) 0.05686(16) 0.0641(7) Uani 1 1 d . . .
C44 C 1.06182(15) 0.93316(15) 0.10657(16) 0.0594(7) Uani 1 1 d . . .
H44 H 1.1064 0.9441 0.0983 0.071 Uiso 1 1 calc R . .
C45 C 1.01238(17) 0.92491(16) 0.16751(17) 0.0636(7) Uani 1 1 d . . .
H45 H 1.0235 0.9314 0.1997 0.076 Uiso 1 1 calc R . .
C46 C 0.94463(16) 0.90653(15) 0.18058(15) 0.0633(7) Uani 1 1 d . . .
H46 H 0.9115 0.9001 0.2218 0.076 Uiso 1 1 calc R . .
C47 C 0.97849(14) 0.90766(15) 0.07234(15) 0.0572(6) Uani 1 1 d . . .
C48 C 0.96051(14) 0.89865(15) 0.02568(15) 0.0581(6) Uani 1 1 d . . .
C49 C 0.78254(16) 0.41986(15) 0.78585(14) 0.0580(6) Uani 1 1 d . . .
H49 H 0.7737 0.3857 0.7743 0.070 Uiso 1 1 calc R . .
C50 C 0.79992(15) 0.40489(15) 0.83986(15) 0.0580(6) Uani 1 1 d . . .
H50 H 0.8029 0.3604 0.8651 0.070 Uiso 1 1 calc R . .
C51 C 0.81288(16) 0.45491(16) 0.85680(15) 0.0601(7) Uani 1 1 d . . .
H51 H 0.8253 0.4438 0.8933 0.072 Uiso 1 1 calc R . .
C52 C 0.80808(15) 0.52205(15) 0.82121(14) 0.0574(6) Uani 1 1 d . . .
C53 C 0.82087(16) 0.57190(16) 0.83776(16) 0.0611(7) Uani 1 1 d . . .
H53 H 0.8328 0.5616 0.8744 0.073 Uiso 1 1 calc R . .
C54 C 0.81615(17) 0.64047(16) 0.79922(16) 0.0625(7) Uani 1 1 d . . .
H54 H 0.8250 0.6747 0.8106 0.075 Uiso 1 1 calc R . .
C55 C 0.79874(15) 0.65463(16) 0.74635(15) 0.0575(6) Uani 1 1 d . . .
C56 C 0.79756(17) 0.71821(16) 0.70213(18) 0.0639(7) Uani 1 1 d . . .
H56 H 0.8071 0.7543 0.7108 0.077 Uiso 1 1 calc R . .
C57 C 0.78319(16) 0.73268(16) 0.64539(14) 0.0598(7) Uani 1 1 d . . .
H57 H 0.7824 0.7768 0.6177 0.072 Uiso 1 1 calc R . .
C58 C 0.76991(14) 0.67835(14) 0.63146(14) 0.0557(6) Uani 1 1 d . . .
H58 H 0.7594 0.6867 0.5943 0.067 Uiso 1 1 calc R . .
C59 C 0.78593(15) 0.60322(15) 0.72783(14) 0.0563(6) Uani 1 1 d . . .
C60 C 0.79015(15) 0.53766(15) 0.76587(15) 0.0581(6) Uani 1 1 d . . .
C61 C 0.88001(15) 0.61752(15) 0.42133(14) 0.0572(6) Uani 1 1 d . . .
H61 H 0.8403 0.6368 0.4362 0.069 Uiso 1 1 calc R . .
C62 C 0.93285(14) 0.65499(16) 0.36160(15) 0.0565(6) Uani 1 1 d . . .
H62 H 0.9283 0.6989 0.3363 0.068 Uiso 1 1 calc R . .
C63 C 0.99201(16) 0.62501(16) 0.34110(14) 0.0586(6) Uani 1 1 d . . .
H63 H 1.0272 0.6505 0.3024 0.070 Uiso 1 1 calc R . .
C64 C 1.00087(13) 0.56061(14) 0.37460(16) 0.0546(6) Uani 1 1 d . . .
C65 C 1.05900(15) 0.52862(15) 0.35641(15) 0.0575(6) Uani 1 1 d . . .
H65 H 1.0953 0.5508 0.3172 0.069 Uiso 1 1 calc R . .
C66 C 1.06240(13) 0.46278(13) 0.39759(11) 0.0458(5) Uani 1 1 d . . .
H66 H 1.1014 0.4414 0.3857 0.055 Uiso 1 1 calc R . .
C67 C 1.00906(14) 0.42924(14) 0.45529(15) 0.0538(6) Uani 1 1 d . . .
C68 C 1.01285(15) 0.36255(14) 0.49721(14) 0.0556(6) Uani 1 1 d . . .
H68 H 1.0519 0.3412 0.4854 0.067 Uiso 1 1 calc R . .
C69 C 0.95934(14) 0.32918(14) 0.55505(14) 0.0533(6) Uani 1 1 d . . .
H69 H 0.9612 0.2849 0.5817 0.064 Uiso 1 1 calc R . .
C70 C 0.90202(15) 0.36299(15) 0.57326(14) 0.0545(6) Uani 1 1 d . . .
H70 H 0.8668 0.3415 0.6136 0.065 Uiso 1 1 calc R . .
C71 C 0.95037(15) 0.46071(15) 0.47441(13) 0.0545(6) Uani 1 1 d . . .
C72 C 0.94629(14) 0.52595(15) 0.43404(14) 0.0549(6) Uani 1 1 d . . .
C73 C 0.69090(14) 0.26723(13) 0.41266(14) 0.0540(6) Uani 1 1 d . . .
H73A H 0.6658 0.2452 0.4594 0.081 Uiso 1 1 calc R . .
H73B H 0.7065 0.3121 0.4029 0.081 Uiso 1 1 calc R . .
H73C H 0.7289 0.2427 0.3996 0.081 Uiso 1 1 calc R . .
C74 C 0.64771(14) 0.26974(13) 0.37633(13) 0.0520(6) Uani 1 1 d . . .
C75 C 0.59026(15) 0.24349(14) 0.38823(15) 0.0577(6) Uani 1 1 d . . .
C76 C 0.57016(15) 0.26685(14) 0.33767(15) 0.0571(6) Uani 1 1 d . . .
C77 C 0.50945(16) 0.25304(14) 0.32689(15) 0.0590(7) Uani 1 1 d . . .
H77A H 0.5182 0.2208 0.3067 0.088 Uiso 1 1 calc R . .
H77B H 0.4986 0.2939 0.2983 0.088 Uiso 1 1 calc R . .
H77C H 0.4723 0.2355 0.3687 0.088 Uiso 1 1 calc R . .
C78 C 0.69756(15) 0.50122(16) 0.32673(14) 0.0588(6) Uani 1 1 d . . .
H78A H 0.6855 0.5414 0.3350 0.088 Uiso 1 1 calc R . .
H78B H 0.7442 0.5067 0.2984 0.088 Uiso 1 1 calc R . .
H78C H 0.6902 0.4640 0.3680 0.088 Uiso 1 1 calc R . .
C79 C 0.65476(14) 0.48806(15) 0.29352(14) 0.0565(6) Uani 1 1 d . . .
C80 C 0.59525(14) 0.51241(14) 0.29026(14) 0.0553(6) Uani 1 1 d . . .
C81 C 0.57855(14) 0.48370(15) 0.25224(15) 0.0570(6) Uani 1 1 d . . .
C82 C 0.52191(15) 0.49387(15) 0.22805(16) 0.0612(7) Uani 1 1 d . . .
H82A H 0.4803 0.4753 0.2651 0.092 Uiso 1 1 calc R . .
H82B H 0.5292 0.4718 0.1979 0.092 Uiso 1 1 calc R . .
H82C H 0.5198 0.5410 0.2056 0.092 Uiso 1 1 calc R . .
C83 C 0.55378(14) 0.55300(14) 0.32366(14) 0.0573(7) Uani 1 1 d . . .
H83A H 0.5769 0.5640 0.3476 0.069 Uiso 1 1 calc R . .
H83B H 0.5120 0.5265 0.3561 0.069 Uiso 1 1 calc R . .
C84 C 0.53658(15) 0.61897(14) 0.27750(13) 0.0528(6) Uani 1 1 d . . .
C85 C 0.47137(15) 0.63799(14) 0.29181(15) 0.0566(6) Uani 1 1 d . . .
H85 H 0.4374 0.6118 0.3313 0.068 Uiso 1 1 calc R . .
C86 C 0.45599(16) 0.69526(15) 0.24835(16) 0.0619(7) Uani 1 1 d . . .
C87 C 0.50682(16) 0.73459(15) 0.18962(15) 0.0581(6) Uani 1 1 d . . .
H87 H 0.4973 0.7734 0.1600 0.070 Uiso 1 1 calc R . .
C88 C 0.57256(14) 0.71511(14) 0.17554(14) 0.0521(6) Uani 1 1 d . . .
C89 C 0.58755(15) 0.65750(14) 0.21796(14) 0.0529(6) Uani 1 1 d . . .
H89 H 0.6312 0.6443 0.2071 0.064 Uiso 1 1 calc R . .
C90 C 0.61346(16) 0.29220(15) 0.73773(16) 0.0619(7) Uani 1 1 d . . .
H90A H 0.6231 0.2622 0.7143 0.074 Uiso 1 1 calc R . .
H90B H 0.6181 0.2676 0.7800 0.074 Uiso 1 1 calc R . .
C91 C 0.62756(15) 0.75920(13) 0.10600(16) 0.0596(7) Uani 1 1 d . . .
H91A H 0.6554 0.7303 0.0858 0.072 Uiso 1 1 calc R . .
H91B H 0.6058 0.7869 0.0765 0.072 Uiso 1 1 calc R . .
C92 C 0.59052(15) 0.89655(14) 0.12749(15) 0.0565(6) Uani 1 1 d . . .
H92A H 0.5954 0.9412 0.1254 0.085 Uiso 1 1 calc R . .
H92B H 0.5565 0.8699 0.1693 0.085 Uiso 1 1 calc R . .
H92C H 0.5775 0.8982 0.0920 0.085 Uiso 1 1 calc R . .
C93 C 0.65706(15) 0.86550(14) 0.12089(15) 0.0572(6) Uani 1 1 d . . .
C94 C 0.67054(14) 0.80300(14) 0.11650(14) 0.0548(6) Uani 1 1 d . . .
C95 C 0.73490(15) 0.79629(15) 0.12295(14) 0.0550(6) Uani 1 1 d . . .
C96 C 0.77332(15) 0.73434(15) 0.12560(15) 0.0592(6) Uani 1 1 d . . .
H96A H 0.8195 0.7450 0.1172 0.089 Uiso 1 1 calc R . .
H96B H 0.7714 0.7196 0.0925 0.089 Uiso 1 1 calc R . .
H96C H 0.7533 0.6992 0.1687 0.089 Uiso 1 1 calc R . .
C97 C 0.64226(14) 0.95747(14) 0.30169(15) 0.0576(7) Uani 1 1 d . . .
H97A H 0.6287 0.9808 0.2648 0.086 Uiso 1 1 calc R . .
H97B H 0.6556 0.9894 0.3152 0.086 Uiso 1 1 calc R . .
H97C H 0.6052 0.9275 0.3380 0.086 Uiso 1 1 calc R . .
C98 C 0.70063(15) 0.91786(15) 0.28138(15) 0.0587(7) Uani 1 1 d . . .
C99 C 0.72407(14) 0.87457(14) 0.32600(14) 0.0553(6) Uani 1 1 d . . .
C100 C 0.77188(13) 0.84567(13) 0.28763(14) 0.0495(5) Uani 1 1 d . . .
C101 C 0.82162(15) 0.78992(15) 0.30011(15) 0.0584(6) Uani 1 1 d . . .
H10A H 0.8050 0.7497 0.3002 0.088 Uiso 1 1 calc R . .
H10B H 0.8249 0.7807 0.3422 0.088 Uiso 1 1 calc R . .
H10C H 0.8654 0.8053 0.2655 0.088 Uiso 1 1 calc R . .
C102 C 0.70719(15) 0.85457(15) 0.39812(14) 0.0603(7) Uani 1 1 d . . .
H10D H 0.7006 0.8945 0.4082 0.072 Uiso 1 1 calc R . .
H10E H 0.7449 0.8339 0.4092 0.072 Uiso 1 1 calc R . .
C103 C 0.64119(15) 0.80356(15) 0.44316(15) 0.0598(7) Uani 1 1 d . . .
C104 C 0.58014(13) 0.82664(14) 0.46870(14) 0.0505(5) Uani 1 1 d . . .
H104 H 0.5771 0.8721 0.4602 0.061 Uiso 1 1 calc R . .
C105 C 0.52255(14) 0.78147(14) 0.50752(13) 0.0546(6) Uani 1 1 d . . .
C106 C 0.52787(14) 0.71356(14) 0.52040(14) 0.0523(6) Uani 1 1 d . . .
H106 H 0.4895 0.6836 0.5470 0.063 Uiso 1 1 calc R . .
C107 C 0.58882(14) 0.68925(14) 0.49469(13) 0.0513(5) Uani 1 1 d . . .
C108 C 0.64597(15) 0.73611(14) 0.45613(15) 0.0576(6) Uani 1 1 d . . .
H108 H 0.6878 0.7211 0.4391 0.069 Uiso 1 1 calc R . .
C109 C 0.45613(14) 0.80630(14) 0.53897(13) 0.0546(6) Uani 1 1 d . . .
H10F H 0.4308 0.8153 0.5103 0.066 Uiso 1 1 calc R . .
H10G H 0.4654 0.8485 0.5409 0.066 Uiso 1 1 calc R . .
C110 C 0.59309(14) 0.61566(14) 0.51203(15) 0.0566(6) Uani 1 1 d . . .
H11A H 0.6018 0.6062 0.4728 0.068 Uiso 1 1 calc R . .
H11B H 0.5502 0.5919 0.5451 0.068 Uiso 1 1 calc R . .
C111 C 0.61582(16) 0.62143(15) 0.63507(16) 0.0623(7) Uani 1 1 d . . .
H11X H 0.5749 0.6308 0.6267 0.093 Uiso 1 1 calc R . .
H11Y H 0.6373 0.6622 0.6292 0.093 Uiso 1 1 calc R . .
H11Z H 0.6056 0.5895 0.6797 0.093 Uiso 1 1 calc R . .
C112 C 0.66157(14) 0.59338(13) 0.58810(15) 0.0543(6) Uani 1 1 d . . .
C113 C 0.64990(14) 0.58946(15) 0.53965(14) 0.0564(6) Uani 1 1 d . . .
C114 C 0.70648(13) 0.55831(13) 0.50671(13) 0.0495(5) Uani 1 1 d . . .
C115 C 0.72346(14) 0.54548(14) 0.44542(14) 0.0531(6) Uani 1 1 d . . .
H11F H 0.7506 0.5835 0.4079 0.080 Uiso 1 1 calc R . .
H11G H 0.6827 0.5382 0.4399 0.080 Uiso 1 1 calc R . .
H11H H 0.7481 0.5064 0.4488 0.080 Uiso 1 1 calc R . .
C116 C 0.62997(16) 0.40002(16) 0.79186(15) 0.0603(7) Uani 1 1 d . . .
H11I H 0.6589 0.4093 0.8111 0.090 Uiso 1 1 calc R . .
H11J H 0.6019 0.3592 0.8222 0.090 Uiso 1 1 calc R . .
H11K H 0.6022 0.4364 0.7829 0.090 Uiso 1 1 calc R . .
C117 C 0.67290(15) 0.39230(13) 0.72710(15) 0.0561(6) Uani 1 1 d . . .
C118 C 0.66847(14) 0.34980(14) 0.69853(15) 0.0536(6) Uani 1 1 d . . .
C119 C 0.71539(15) 0.35972(14) 0.64093(15) 0.0563(6) Uani 1 1 d . . .
C120 C 0.73440(14) 0.32787(15) 0.59181(16) 0.0556(6) Uani 1 1 d . . .
H12A H 0.6996 0.2940 0.6047 0.083 Uiso 1 1 calc R . .
H12B H 0.7760 0.3077 0.5902 0.083 Uiso 1 1 calc R . .
H12C H 0.7400 0.3613 0.5488 0.083 Uiso 1 1 calc R . .
F1 F 0.85769(9) 0.32218(9) 0.72428(9) 0.0648(4) Uani 1 1 d . . .
F2 F 0.84984(10) 0.24610(10) 0.82595(9) 0.0676(4) Uani 1 1 d . . .
F3 F 0.82597(10) 0.15828(9) 0.80109(10) 0.0718(5) Uani 1 1 d . . .
F4 F 0.76632(9) 0.25210(9) 0.78636(9) 0.0631(4) Uani 1 1 d . . .
F5 F 0.82958(10) 0.23966(9) 0.70757(9) 0.0658(4) Uani 1 1 d . . .
F6 F 0.91653(9) 0.22884(9) 0.73560(10) 0.0635(4) Uani 1 1 d . . .
F7 F 0.88302(10) 0.36163(10) -0.00751(10) 0.0703(5) Uani 1 1 d . . .
F8 F 0.80045(10) 0.44962(10) 0.06903(10) 0.0687(5) Uani 1 1 d . . .
F9 F 0.85296(10) 0.46788(9) -0.03130(9) 0.0700(5) Uani 1 1 d . . .
F10 F 0.81470(9) 0.34836(9) 0.10520(9) 0.0619(4) Uani 1 1 d . . .
F11 F 0.90525(9) 0.42884(9) 0.03824(9) 0.0667(4) Uani 1 1 d . . .
F12 F 0.77640(9) 0.38063(9) 0.03113(9) 0.0659(4) Uani 1 1 d . . .
F13 F 0.36885(10) 0.32650(9) 0.25064(9) 0.0670(4) Uani 1 1 d . . .
F14 F 0.38610(9) 0.43871(9) 0.17743(9) 0.0632(4) Uani 1 1 d . . .
F15 F 0.46367(10) 0.42140(10) 0.09498(10) 0.0720(5) Uani 1 1 d . . .
F16 F 0.42446(11) 0.31035(10) 0.15596(11) 0.0767(5) Uani 1 1 d . . .
F17 F 0.34969(9) 0.36109(10) 0.14040(10) 0.0671(4) Uani 1 1 d . . .
F18 F 0.48224(9) 0.38128(10) 0.19307(9) 0.0669(4) Uani 1 1 d . . .
F19 F 0.87167(9) 0.74427(9) 0.88037(9) 0.0626(4) Uani 1 1 d . . .
F20 F 0.86192(9) 0.69427(9) 0.99163(9) 0.0633(4) Uani 1 1 d . . .
F21 F 0.75497(10) 0.64747(9) 1.03259(10) 0.0687(5) Uani 1 1 d . . .
F22 F 0.74689(9) 0.69843(9) 0.93064(10) 0.0670(4) Uani 1 1 d . . .
F23 F 0.83602(9) 0.63824(9) 0.94213(9) 0.0643(4) Uani 1 1 d . . .
F24 F 0.78609(10) 0.76817(9) 0.97638(9) 0.0653(4) Uani 1 1 d . . .
F25 F 0.79016(9) 0.38469(10) 0.41765(10) 0.0691(5) Uani 1 1 d . . .
F26 F 0.86156(10) 0.45097(11) 0.30987(11) 0.0767(5) Uani 1 1 d . . .
F27 F 0.94896(10) 0.42000(10) 0.32234(11) 0.0736(5) Uani 1 1 d . . .
F28 F 0.87770(10) 0.34693(10) 0.43805(10) 0.0684(5) Uani 1 1 d . . .
F29 F 0.87638(10) 0.48202(10) 0.37326(10) 0.0712(5) Uani 1 1 d . . .
F30 F 0.86028(9) 0.32941(10) 0.36979(10) 0.0675(4) Uani 1 1 d . . .
F31 F 0.91948(9) 0.09303(9) 0.22884(9) 0.0626(4) Uani 1 1 d . . .
F32 F 0.92506(10) 0.03250(10) 0.33271(10) 0.0677(4) Uani 1 1 d . . .
F33 F 0.86033(10) -0.05079(10) 0.33146(11) 0.0775(6) Uani 1 1 d . . .
F34 F 0.87739(9) 0.01742(9) 0.22240(9) 0.0657(4) Uani 1 1 d . . .
F35 F 0.95499(9) -0.00577(10) 0.26563(9) 0.0682(5) Uani 1 1 d . . .
F36 F 0.82528(9) 0.05152(10) 0.29467(9) 0.0690(5) Uani 1 1 d . . .
N1 N 0.82269(12) 0.45453(12) 0.19082(12) 0.0529(5) Uani 1 1 d . . .
N2 N 0.82070(12) 0.32250(12) 0.24892(12) 0.0571(5) Uani 1 1 d . . .
N3 N 0.62182(12) 0.30537(12) 0.16078(12) 0.0533(5) Uani 1 1 d . . .
N4 N 0.64383(12) 0.43771(12) 0.10146(12) 0.0563(5) Uani 1 1 d . . .
N5 N 0.74650(12) 1.06700(12) 0.13503(12) 0.0573(6) Uani 1 1 d . . .
N6 N 0.72146(13) 1.03536(12) 0.04546(12) 0.0579(5) Uani 1 1 d . . .
N7 N 0.89301(12) 0.88018(13) 0.04049(12) 0.0585(6) Uani 1 1 d . . .
N8 N 0.92771(13) 0.89832(13) 0.13359(13) 0.0600(6) Uani 1 1 d . . .
N9 N 0.77827(13) 0.48627(13) 0.74848(12) 0.0579(5) Uani 1 1 d . . .
N10 N 0.77212(12) 0.61339(12) 0.67145(12) 0.0545(5) Uani 1 1 d . . .
N11 N 0.88742(12) 0.55197(12) 0.45781(12) 0.0545(5) Uani 1 1 d . . .
N12 N 0.89659(12) 0.42691(12) 0.53309(12) 0.0524(5) Uani 1 1 d . . .
N13 N 0.67654(12) 0.44846(12) 0.25509(12) 0.0557(5) Uani 1 1 d . . .
N14 N 0.63187(12) 0.44737(12) 0.22779(12) 0.0559(5) Uani 1 1 d . . .
N15 N 0.66898(12) 0.31040(12) 0.30844(12) 0.0544(5) Uani 1 1 d . . .
N16 N 0.62188(13) 0.30805(12) 0.28745(12) 0.0565(5) Uani 1 1 d . . .
N17 N 0.70386(12) 0.89183(12) 0.13082(12) 0.0568(5) Uani 1 1 d . . .
N18 N 0.75373(12) 0.84841(12) 0.12841(12) 0.0571(5) Uani 1 1 d . . .
N19 N 0.73201(12) 0.92140(12) 0.22214(12) 0.0564(5) Uani 1 1 d . . .
N20 N 0.77877(12) 0.87961(12) 0.22416(12) 0.0554(5) Uani 1 1 d . . .
N21 N 0.71795(11) 0.56257(11) 0.59535(11) 0.0514(5) Uani 1 1 d . . .
N22 N 0.74649(12) 0.54672(12) 0.54419(11) 0.0535(5) Uani 1 1 d . . .
N23 N 0.72347(12) 0.43833(12) 0.67945(12) 0.0543(5) Uani 1 1 d . . .
N24 N 0.75434(12) 0.42143(12) 0.62670(12) 0.0538(5) Uani 1 1 d . . .
P1 P 0.83998(4) 0.24296(4) 0.76511(4) 0.06316(19) Uani 1 1 d . . .
P2 P 0.84168(4) 0.40267(4) 0.03447(4) 0.06186(19) Uani 1 1 d . . .
P3 P 0.41881(4) 0.37697(5) 0.16895(5) 0.0659(2) Uani 1 1 d . . .
P4 P 0.80572(4) 0.70486(4) 0.95574(4) 0.06245(19) Uani 1 1 d . . .
P5 P 0.86557(4) 0.40001(5) 0.37645(5) 0.0657(2) Uani 1 1 d . . .
P6 P 0.88575(4) 0.02629(4) 0.28372(4) 0.06262(19) Uani 1 1 d . . .
Pd1 Pd 0.746397(11) 0.384612(11) 0.250758(11) 0.05535(6) Uani 1 1 d . . .
Pd2 Pd 0.628627(11) 0.375288(11) 0.196625(11) 0.05549(6) Uani 1 1 d . . .
Pd3 Pd 0.723871(11) 0.977791(11) 0.135832(11) 0.05644(6) Uani 1 1 d . . .
Pd4 Pd 0.838532(11) 0.875004(12) 0.135020(11) 0.05899(6) Uani 1 1 d . . .
Pd5 Pd 0.746599(11) 0.528593(11) 0.671660(11) 0.05558(6) Uani 1 1 d . . .
Pd6 Pd 0.818640(11) 0.485116(11) 0.542858(11) 0.05629(6) Uani 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
C1 N1 1.366(3) . ?
C1 C2 1.410(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.391(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.378(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.376(5) . ?
C4 C12 1.382(4) . ?
C5 C6 1.417(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.395(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.364(5) . ?
C7 C11 1.374(4) . ?
C8 C9 1.404(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.396(4) . ?
C9 H9 0.9300 . ?
C10 N2 1.391(3) . ?
C10 H10 0.9300 . ?
C11 N2 1.382(3) . ?
C11 C12 1.412(4) . ?
C12 N1 1.377(3) . ?
C13 N3 1.340(3) . ?
C13 C14 1.412(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.369(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.359(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.379(4) . ?
C16 C24 1.399(4) . ?
C17 C18 1.399(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.403(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.341(4) . ?
C19 C23 1.382(4) . ?
C20 C21 1.422(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.388(4) . ?
C21 H21 0.9300 . ?
C22 N4 1.394(3) . ?
C22 H22 0.9300 . ?
C23 N4 1.357(3) . ?
C23 C24 1.407(4) . ?
C24 N3 1.393(3) . ?
C25 N5 1.374(3) . ?
C25 C26 1.394(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.424(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.374(5) . ?
C27 H27 0.9300 . ?
C28 C36 1.387(4) . ?
C28 C29 1.403(4) . ?
C29 C30 1.381(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.399(5) . ?
C30 H30 0.9300 . ?
C31 C35 1.410(4) . ?
C31 C32 1.419(5) . ?
C32 C33 1.356(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.407(4) . ?
C33 H33 0.9300 . ?
C34 N6 1.377(3) . ?
C34 H34 0.9300 . ?
C35 N6 1.373(3) . ?
C35 C36 1.397(5) . ?
C36 N5 1.374(3) . ?
C37 N7 1.383(3) . ?
C37 C38 1.388(4) . ?
C37 H37 0.9300 . ?
C38 C39 1.368(5) . ?
C38 H38 0.9300 . ?
C39 C40 1.391(5) . ?
C39 H39 0.9300 . ?
C40 C41 1.373(4) . ?
C40 C48 1.410(4) . ?
C41 C42 1.365(5) . ?
C41 H41 0.9300 . ?
C42 C43 1.377(4) . ?
C42 H42 0.9300 . ?
C43 C47 1.382(4) . ?
C43 C44 1.409(5) . ?
C44 C45 1.384(5) . ?
C44 H44 0.9300 . ?
C45 C46 1.419(5) . ?
C45 H45 0.9300 . ?
C46 N8 1.356(3) . ?
C46 H46 0.9300 . ?
C47 C48 1.370(5) . ?
C47 N8 1.396(3) . ?
C48 N7 1.404(3) . ?
C49 C50 1.368(4) . ?
C49 N9 1.386(3) . ?
C49 H49 0.9300 . ?
C50 C51 1.364(4) . ?
C50 H50 0.9300 . ?
C51 C52 1.391(4) . ?
C51 H51 0.9300 . ?
C52 C53 1.353(4) . ?
C52 C60 1.403(4) . ?
C53 C54 1.432(5) . ?
C53 H53 0.9300 . ?
C54 C55 1.346(4) . ?
C54 H54 0.9300 . ?
C55 C56 1.376(5) . ?
C55 C59 1.415(4) . ?
C56 C57 1.394(5) . ?
C56 H56 0.9300 . ?
C57 C58 1.407(4) . ?
C57 H57 0.9300 . ?
C58 N10 1.369(3) . ?
C58 H58 0.9300 . ?
C59 C60 1.375(4) . ?
C59 N10 1.396(3) . ?
C60 N9 1.390(3) . ?
C61 N11 1.383(3) . ?
C61 C62 1.409(4) . ?
C61 H61 0.9300 . ?
C62 C63 1.393(4) . ?
C62 H62 0.9300 . ?
C63 C64 1.354(4) . ?
C63 H63 0.9300 . ?
C64 C65 1.391(4) . ?
C64 C72 1.410(4) . ?
C65 C66 1.398(4) . ?
C65 H65 0.9300 . ?
C66 C67 1.372(4) . ?
C66 H66 0.9300 . ?
C67 C71 1.398(4) . ?
C67 C68 1.419(4) . ?
C68 C69 1.375(4) . ?
C68 H68 0.9300 . ?
C69 C70 1.401(4) . ?
C69 H69 0.9300 . ?
C70 N12 1.370(3) . ?
C70 H70 0.9300 . ?
C71 C72 1.386(4) . ?
C71 N12 1.389(3) . ?
C72 N11 1.360(3) . ?
C73 C74 1.459(4) . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C74 C75 1.277(4) . ?
C74 N15 1.403(3) . ?
C75 C76 1.320(4) . ?
C75 C109 1.597(3) 2_666 ?
C76 N16 1.332(3) . ?
C76 C77 1.482(4) . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C78 C79 1.505(5) . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C79 C80 1.365(4) . ?
C79 N13 1.414(3) . ?
C80 C81 1.416(3) . ?
C80 C83 1.446(3) . ?
C81 N14 1.414(4) . ?
C81 C82 1.491(5) . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
C83 C84 1.546(4) . ?
C83 H83A 0.9700 . ?
C83 H83B 0.9700 . ?
C84 C85 1.385(4) . ?
C84 C89 1.394(4) . ?
C85 C86 1.383(4) . ?
C85 H85 0.9300 . ?
C86 C87 1.389(4) . ?
C86 C90 1.432(4) 2_666 ?
C87 C88 1.399(4) . ?
C87 H87 0.9300 . ?
C88 C89 1.372(4) . ?
C88 C91 1.582(4) . ?
C89 H89 0.9300 . ?
C90 C86 1.432(4) 2_666 ?
C90 C118 1.518(4) . ?
C90 H90A 0.9700 . ?
C90 H90B 0.9700 . ?
C91 C94 1.506(4) . ?
C91 H91A 0.9700 . ?
C91 H91B 0.9700 . ?
C92 C93 1.516(4) . ?
C92 H92A 0.9600 . ?
C92 H92B 0.9600 . ?
C92 H92C 0.9600 . ?
C93 N17 1.317(4) . ?
C93 C94 1.399(4) . ?
C94 C95 1.434(4) . ?
C95 N18 1.289(4) . ?
C95 C96 1.520(4) . ?
C96 H96A 0.9600 . ?
C96 H96B 0.9600 . ?
C96 H96C 0.9600 . ?
C97 C98 1.503(4) . ?
C97 H97A 0.9600 . ?
C97 H97B 0.9600 . ?
C97 H97C 0.9600 . ?
C98 N19 1.277(4) . ?
C98 C99 1.343(4) . ?
C99 C100 1.386(4) . ?
C99 C102 1.483(4) . ?
C100 N20 1.341(4) . ?
C100 C101 1.571(4) . ?
C101 H10A 0.9600 . ?
C101 H10B 0.9600 . ?
C101 H10C 0.9600 . ?
C102 C103 1.595(4) . ?
C102 H10D 0.9700 . ?
C102 H10E 0.9700 . ?
C103 C104 1.373(4) . ?
C103 C108 1.378(4) . ?
C104 C105 1.398(4) . ?
C104 H104 0.9300 . ?
C105 C106 1.389(4) . ?
C105 C109 1.513(4) . ?
C106 C107 1.385(4) . ?
C106 H106 0.9300 . ?
C107 C108 1.410(4) . ?
C107 C110 1.491(4) . ?
C108 H108 0.9300 . ?
C109 C75 1.597(3) 2_666 ?
C109 H10F 0.9700 . ?
C109 H10G 0.9700 . ?
C110 C113 1.560(4) . ?
C110 H11A 0.9700 . ?
C110 H11B 0.9700 . ?
C111 C112 1.479(4) . ?
C111 H11X 0.9600 . ?
C111 H11Y 0.9600 . ?
C111 H11Z 0.9600 . ?
C112 C113 1.286(4) . ?
C112 N21 1.376(4) . ?
C113 C114 1.458(4) . ?
C114 N22 1.390(4) . ?
C114 C115 1.481(4) . ?
C115 H11F 0.9600 . ?
C115 H11G 0.9600 . ?
C115 H11H 0.9600 . ?
C116 C117 1.528(4) . ?
C116 H11I 0.9600 . ?
C116 H11J 0.9600 . ?
C116 H11K 0.9600 . ?
C117 N23 1.346(4) . ?
C117 C118 1.356(4) . ?
C118 C119 1.301(4) . ?
C119 N24 1.480(4) . ?
C119 C120 1.484(4) . ?
C120 H12A 0.9600 . ?
C120 H12B 0.9600 . ?
C120 H12C 0.9600 . ?
F1 P1 1.600(2) . ?
F2 P1 1.547(2) . ?
F3 P1 1.692(2) . ?
F4 P1 1.494(2) . ?
F5 P1 1.478(2) . ?
F6 P1 1.588(2) . ?
F7 P2 1.572(2) . ?
F8 P2 1.568(2) . ?
F9 P2 1.593(2) . ?
F10 P2 1.5368(19) . ?
F11 P2 1.553(2) . ?
F12 P2 1.545(2) . ?
F13 P3 1.748(2) . ?
F14 P3 1.515(2) . ?
F15 P3 1.574(2) . ?
F16 P3 1.573(2) . ?
F17 P3 1.934(2) . ?
F18 P3 1.674(2) . ?
F19 P4 1.737(2) . ?
F20 P4 1.667(2) . ?
F21 P4 1.731(2) . ?
F22 P4 1.610(2) . ?
F23 P4 1.638(2) . ?
F24 P4 1.605(2) . ?
F25 P5 1.526(2) . ?
F26 P5 1.561(2) . ?
F27 P5 1.732(2) . ?
F28 P5 1.564(2) . ?
F29 P5 1.775(2) . ?
F30 P5 1.610(2) . ?
F31 P6 1.514(2) . ?
F32 P6 1.704(2) . ?
F33 P6 1.604(2) . ?
F34 P6 1.598(2) . ?
F35 P6 1.578(2) . ?
F36 P6 1.346(2) . ?
N1 Pd1 1.984(2) . ?
N2 Pd1 2.014(3) . ?
N3 Pd2 2.030(3) . ?
N4 Pd2 2.034(3) . ?
N5 Pd3 2.013(3) . ?
N6 Pd3 2.028(3) . ?
N7 Pd4 2.056(3) . ?
N8 Pd4 1.993(3) . ?
N9 Pd5 2.028(3) . ?
N10 Pd5 1.947(2) . ?
N11 Pd6 2.037(3) . ?
N12 Pd6 2.023(2) . ?
N13 N14 1.340(4) . ?
N13 Pd1 1.971(2) . ?
N14 Pd2 1.976(3) . ?
N15 N16 1.287(4) . ?
N15 Pd1 2.047(3) . ?
N16 Pd2 2.028(3) . ?
N17 N18 1.376(4) . ?
N17 Pd3 1.992(3) . ?
N18 Pd4 2.017(3) . ?
N19 N20 1.307(4) . ?
N19 Pd3 1.993(3) . ?
N20 Pd4 2.051(3) . ?
N21 N22 1.298(3) . ?
N21 Pd5 1.969(2) . ?
N22 Pd6 1.974(2) . ?
N23 N24 1.349(3) . ?
N23 Pd5 1.970(2) . ?
N24 Pd6 1.961(3) . ?
Pd3 Pd4 3.2043(10) . ?

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
N1 C1 C2 119.6(3) . . ?
N1 C1 H1 120.2 . . ?
C2 C1 H1 120.2 . . ?
C3 C2 C1 120.4(3) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C4 C3 C2 121.2(3) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C5 C4 C3 124.2(3) . . ?
C5 C4 C12 120.5(3) . . ?
C3 C4 C12 115.1(3) . . ?
C4 C5 C6 120.0(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C7 C6 C5 119.3(3) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C8 C7 C11 120.3(3) . . ?
C8 C7 C6 119.2(3) . . ?
C11 C7 C6 120.5(3) . . ?
C7 C8 C9 121.1(3) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C10 C9 C8 118.0(3) . . ?
C10 C9 H9 121.0 . . ?
C8 C9 H9 121.0 . . ?
N2 C10 C9 120.7(3) . . ?
N2 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C7 C11 N2 120.5(3) . . ?
C7 C11 C12 119.8(3) . . ?
N2 C11 C12 119.7(2) . . ?
N1 C12 C4 126.4(3) . . ?
N1 C12 C11 113.6(2) . . ?
C4 C12 C11 120.0(3) . . ?
N3 C13 C14 121.1(3) . . ?
N3 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C15 C14 C13 118.2(3) . . ?
C15 C14 H14 120.9 . . ?
C13 C14 H14 120.9 . . ?
C16 C15 C14 122.0(3) . . ?
C16 C15 H15 119.0 . . ?
C14 C15 H15 119.0 . . ?
C15 C16 C17 121.7(3) . . ?
C15 C16 C24 118.8(3) . . ?
C17 C16 C24 119.5(3) . . ?
C16 C17 C18 120.6(3) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C17 C18 C19 120.3(3) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C20 C19 C23 117.2(3) . . ?
C20 C19 C18 123.7(3) . . ?
C23 C19 C18 119.0(3) . . ?
C19 C20 C21 121.1(3) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 H20 119.5 . . ?
C22 C21 C20 118.5(3) . . ?
C22 C21 H21 120.8 . . ?
C20 C21 H21 120.8 . . ?
C21 C22 N4 121.4(3) . . ?
C21 C22 H22 119.3 . . ?
N4 C22 H22 119.3 . . ?
N4 C23 C19 125.8(3) . . ?
N4 C23 C24 113.5(2) . . ?
C19 C23 C24 120.6(3) . . ?
N3 C24 C16 120.1(3) . . ?
N3 C24 C23 120.0(3) . . ?
C16 C24 C23 119.9(3) . . ?
N5 C25 C26 120.4(3) . . ?
N5 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C25 C26 C27 118.7(3) . . ?
C25 C26 H26 120.6 . . ?
C27 C26 H26 120.6 . . ?
C28 C27 C26 121.5(3) . . ?
C28 C27 H27 119.2 . . ?
C26 C27 H27 119.2 . . ?
C27 C28 C36 116.0(3) . . ?
C27 C28 C29 122.5(3) . . ?
C36 C28 C29 121.1(3) . . ?
C30 C29 C28 119.2(3) . . ?
C30 C29 H29 120.4 . . ?
C28 C29 H29 120.4 . . ?
C29 C30 C31 120.3(3) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C30 C31 C35 120.7(3) . . ?
C30 C31 C32 120.8(3) . . ?
C35 C31 C32 118.5(3) . . ?
C33 C32 C31 120.1(3) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C32 C33 C34 120.1(3) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
N6 C34 C33 120.8(3) . . ?
N6 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
N6 C35 C36 120.5(3) . . ?
N6 C35 C31 120.9(3) . . ?
C36 C35 C31 118.6(3) . . ?
N5 C36 C28 124.6(3) . . ?
N5 C36 C35 115.2(2) . . ?
C28 C36 C35 120.2(3) . . ?
N7 C37 C38 119.2(3) . . ?
N7 C37 H37 120.4 . . ?
C38 C37 H37 120.4 . . ?
C39 C38 C37 121.3(3) . . ?
C39 C38 H38 119.3 . . ?
C37 C38 H38 119.3 . . ?
C38 C39 C40 120.6(3) . . ?
C38 C39 H39 119.7 . . ?
C40 C39 H39 119.7 . . ?
C41 C40 C39 123.0(3) . . ?
C41 C40 C48 117.9(3) . . ?
C39 C40 C48 119.1(3) . . ?
C42 C41 C40 122.4(3) . . ?
C42 C41 H41 118.8 . . ?
C40 C41 H41 118.8 . . ?
C41 C42 C43 118.5(3) . . ?
C41 C42 H42 120.7 . . ?
C43 C42 H42 120.7 . . ?
C42 C43 C47 121.5(3) . . ?
C42 C43 C44 121.4(3) . . ?
C47 C43 C44 117.1(3) . . ?
C45 C44 C43 120.8(3) . . ?
C45 C44 H44 119.6 . . ?
C43 C44 H44 119.6 . . ?
C44 C45 C46 119.5(3) . . ?
C44 C45 H45 120.3 . . ?
C46 C45 H45 120.3 . . ?
N8 C46 C45 120.7(3) . . ?
N8 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C48 C47 C43 118.9(3) . . ?
C48 C47 N8 117.7(2) . . ?
C43 C47 N8 123.4(3) . . ?
C47 C48 N7 119.9(2) . . ?
C47 C48 C40 120.7(3) . . ?
N7 C48 C40 119.3(3) . . ?
C50 C49 N9 119.5(3) . . ?
C50 C49 H49 120.3 . . ?
N9 C49 H49 120.3 . . ?
C51 C50 C49 120.3(3) . . ?
C51 C50 H50 119.9 . . ?
C49 C50 H50 119.9 . . ?
C50 C51 C52 122.0(3) . . ?
C50 C51 H51 119.0 . . ?
C52 C51 H51 119.0 . . ?
C53 C52 C51 122.3(3) . . ?
C53 C52 C60 119.8(3) . . ?
C51 C52 C60 117.9(3) . . ?
C52 C53 C54 120.4(3) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 H53 119.8 . . ?
C55 C54 C53 119.1(3) . . ?
C55 C54 H54 120.5 . . ?
C53 C54 H54 120.5 . . ?
C54 C55 C56 125.1(3) . . ?
C54 C55 C59 121.3(3) . . ?
C56 C55 C59 113.4(3) . . ?
C55 C56 C57 125.0(3) . . ?
C55 C56 H56 117.5 . . ?
C57 C56 H56 117.5 . . ?
C56 C57 C58 117.8(3) . . ?
C56 C57 H57 121.1 . . ?
C58 C57 H57 121.1 . . ?
N10 C58 C57 121.4(3) . . ?
N10 C58 H58 119.3 . . ?
C57 C58 H58 119.3 . . ?
C60 C59 N10 116.0(3) . . ?
C60 C59 C55 118.7(3) . . ?
N10 C59 C55 125.3(3) . . ?
C59 C60 N9 119.8(3) . . ?
C59 C60 C52 120.7(3) . . ?
N9 C60 C52 119.4(3) . . ?
N11 C61 C62 119.7(2) . . ?
N11 C61 H61 120.1 . . ?
C62 C61 H61 120.1 . . ?
C63 C62 C61 118.8(3) . . ?
C63 C62 H62 120.6 . . ?
C61 C62 H62 120.6 . . ?
C64 C63 C62 123.4(3) . . ?
C64 C63 H63 118.3 . . ?
C62 C63 H63 118.3 . . ?
C63 C64 C65 125.5(3) . . ?
C63 C64 C72 115.0(3) . . ?
C65 C64 C72 119.5(3) . . ?
C64 C65 C66 119.4(3) . . ?
C64 C65 H65 120.3 . . ?
C66 C65 H65 120.3 . . ?
C67 C66 C65 120.9(3) . . ?
C67 C66 H66 119.5 . . ?
C65 C66 H66 119.5 . . ?
C66 C67 C71 120.5(3) . . ?
C66 C67 C68 120.8(3) . . ?
C71 C67 C68 118.8(3) . . ?
C69 C68 C67 120.6(3) . . ?
C69 C68 H68 119.7 . . ?
C67 C68 H68 119.7 . . ?
C68 C69 C70 118.9(3) . . ?
C68 C69 H69 120.5 . . ?
C70 C69 H69 120.5 . . ?
N12 C70 C69 121.6(2) . . ?
N12 C70 H70 119.2 . . ?
C69 C70 H70 119.2 . . ?
C72 C71 N12 120.3(2) . . ?
C72 C71 C67 119.2(3) . . ?
N12 C71 C67 120.4(2) . . ?
N11 C72 C71 114.3(2) . . ?
N11 C72 C64 125.1(2) . . ?
C71 C72 C64 120.6(3) . . ?
C74 C73 H73A 109.5 . . ?
C74 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C74 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C75 C74 N15 102.3(2) . . ?
C75 C74 C73 137.9(3) . . ?
N15 C74 C73 119.8(2) . . ?
C74 C75 C76 114.3(3) . . ?
C74 C75 C109 121.7(3) . 2_666 ?
C76 C75 C109 123.6(2) . 2_666 ?
C75 C76 N16 105.0(2) . . ?
C75 C76 C77 134.6(3) . . ?
N16 C76 C77 120.3(3) . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C79 C78 H78A 109.5 . . ?
C79 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C79 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C80 C79 N13 109.2(3) . . ?
C80 C79 C78 129.8(3) . . ?
N13 C79 C78 120.8(2) . . ?
C79 C80 C81 105.1(2) . . ?
C79 C80 C83 128.2(3) . . ?
C81 C80 C83 126.4(2) . . ?
N14 C81 C80 109.6(2) . . ?
N14 C81 C82 118.7(3) . . ?
C80 C81 C82 131.0(3) . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C80 C83 C84 114.8(2) . . ?
C80 C83 H83A 108.6 . . ?
C84 C83 H83A 108.6 . . ?
C80 C83 H83B 108.6 . . ?
C84 C83 H83B 108.6 . . ?
H83A C83 H83B 107.5 . . ?
C85 C84 C89 119.7(3) . . ?
C85 C84 C83 121.6(2) . . ?
C89 C84 C83 118.5(2) . . ?
C86 C85 C84 121.1(3) . . ?
C86 C85 H85 119.5 . . ?
C84 C85 H85 119.5 . . ?
C85 C86 C87 119.5(3) . . ?
C85 C86 C90 118.2(3) . 2_666 ?
C87 C86 C90 122.0(3) . 2_666 ?
C86 C87 C88 119.1(3) . . ?
C86 C87 H87 120.4 . . ?
C88 C87 H87 120.4 . . ?
C89 C88 C87 121.4(3) . . ?
C89 C88 C91 121.4(3) . . ?
C87 C88 C91 117.0(3) . . ?
C88 C89 C84 119.2(3) . . ?
C88 C89 H89 120.4 . . ?
C84 C89 H89 120.4 . . ?
C86 C90 C118 120.7(3) 2_666 . ?
C86 C90 H90A 107.2 2_666 . ?
C118 C90 H90A 107.2 . . ?
C86 C90 H90B 107.2 2_666 . ?
C118 C90 H90B 107.2 . . ?
H90A C90 H90B 106.8 . . ?
C94 C91 C88 108.7(3) . . ?
C94 C91 H91A 109.9 . . ?
C88 C91 H91A 109.9 . . ?
C94 C91 H91B 109.9 . . ?
C88 C91 H91B 109.9 . . ?
H91A C91 H91B 108.3 . . ?
C93 C92 H92A 109.5 . . ?
C93 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C93 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
N17 C93 C94 113.7(3) . . ?
N17 C93 C92 119.7(3) . . ?
C94 C93 C92 125.6(3) . . ?
C93 C94 C95 99.9(3) . . ?
C93 C94 C91 127.4(3) . . ?
C95 C94 C91 132.7(3) . . ?
N18 C95 C94 110.8(3) . . ?
N18 C95 C96 125.5(3) . . ?
C94 C95 C96 123.6(3) . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C98 C97 H97A 109.5 . . ?
C98 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
C98 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
N19 C98 C99 114.1(3) . . ?
N19 C98 C97 124.7(3) . . ?
C99 C98 C97 121.3(3) . . ?
C98 C99 C100 101.5(3) . . ?
C98 C99 C102 134.7(3) . . ?
C100 C99 C102 123.7(3) . . ?
N20 C100 C99 107.9(3) . . ?
N20 C100 C101 116.0(2) . . ?
C99 C100 C101 135.8(3) . . ?
C100 C101 H10A 109.5 . . ?
C100 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
C100 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C99 C102 C103 113.2(3) . . ?
C99 C102 H10D 108.9 . . ?
C103 C102 H10D 108.9 . . ?
C99 C102 H10E 108.9 . . ?
C103 C102 H10E 108.9 . . ?
H10D C102 H10E 107.7 . . ?
C104 C103 C108 120.3(3) . . ?
C104 C103 C102 120.4(3) . . ?
C108 C103 C102 119.4(3) . . ?
C103 C104 C105 119.8(3) . . ?
C103 C104 H104 120.1 . . ?
C105 C104 H104 120.1 . . ?
C106 C105 C104 119.5(3) . . ?
C106 C105 C109 120.6(3) . . ?
C104 C105 C109 119.7(3) . . ?
C107 C106 C105 121.7(3) . . ?
C107 C106 H106 119.2 . . ?
C105 C106 H106 119.2 . . ?
C106 C107 C108 117.3(3) . . ?
C106 C107 C110 120.1(2) . . ?
C108 C107 C110 122.5(3) . . ?
C103 C108 C107 121.4(3) . . ?
C103 C108 H108 119.3 . . ?
C107 C108 H108 119.3 . . ?
C105 C109 C75 115.6(2) . 2_666 ?
C105 C109 H10F 108.4 . . ?
C75 C109 H10F 108.4 2_666 . ?
C105 C109 H10G 108.4 . . ?
C75 C109 H10G 108.4 2_666 . ?
H10F C109 H10G 107.4 . . ?
C107 C110 C113 111.9(3) . . ?
C107 C110 H11A 109.2 . . ?
C113 C110 H11A 109.2 . . ?
C107 C110 H11B 109.2 . . ?
C113 C110 H11B 109.2 . . ?
H11A C110 H11B 107.9 . . ?
C112 C111 H11X 109.5 . . ?
C112 C111 H11Y 109.5 . . ?
H11X C111 H11Y 109.5 . . ?
C112 C111 H11Z 109.5 . . ?
H11X C111 H11Z 109.5 . . ?
H11Y C111 H11Z 109.5 . . ?
C113 C112 N21 112.3(3) . . ?
C113 C112 C111 123.9(3) . . ?
N21 C112 C111 123.5(3) . . ?
C112 C113 C114 106.2(3) . . ?
C112 C113 C110 131.8(3) . . ?
C114 C113 C110 121.8(3) . . ?
N22 C114 C113 103.2(2) . . ?
N22 C114 C115 125.7(2) . . ?
C113 C114 C115 130.9(3) . . ?
C114 C115 H11F 109.5 . . ?
C114 C115 H11G 109.5 . . ?
H11F C115 H11G 109.5 . . ?
C114 C115 H11H 109.5 . . ?
H11F C115 H11H 109.5 . . ?
H11G C115 H11H 109.5 . . ?
C117 C116 H11I 109.5 . . ?
C117 C116 H11J 109.5 . . ?
H11I C116 H11J 109.5 . . ?
C117 C116 H11K 109.5 . . ?
H11I C116 H11K 109.5 . . ?
H11J C116 H11K 109.5 . . ?
N23 C117 C118 103.6(3) . . ?
N23 C117 C116 121.9(3) . . ?
C118 C117 C116 134.0(3) . . ?
C119 C118 C117 116.1(3) . . ?
C119 C118 C90 125.5(3) . . ?
C117 C118 C90 118.3(3) . . ?
C118 C119 N24 102.5(3) . . ?
C118 C119 C120 137.3(3) . . ?
N24 C119 C120 120.2(3) . . ?
C119 C120 H12A 109.5 . . ?
C119 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
C119 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C1 N1 C12 117.01(18) . . ?
C1 N1 Pd1 128.90(16) . . ?
C12 N1 Pd1 114.09(14) . . ?
C11 N2 C10 119.46(18) . . ?
C11 N2 Pd1 109.67(14) . . ?
C10 N2 Pd1 130.87(16) . . ?
C13 N3 C24 119.71(19) . . ?
C13 N3 Pd2 129.80(16) . . ?
C24 N3 Pd2 109.78(14) . . ?
C23 N4 C22 115.80(19) . . ?
C23 N4 Pd2 114.62(14) . . ?
C22 N4 Pd2 129.55(17) . . ?
C36 N5 C25 118.26(18) . . ?
C36 N5 Pd3 112.16(16) . . ?
C25 N5 Pd3 129.56(16) . . ?
C35 N6 C34 119.48(18) . . ?
C35 N6 Pd3 108.91(16) . . ?
C34 N6 Pd3 131.53(16) . . ?
C37 N7 C48 120.52(18) . . ?
C37 N7 Pd4 132.14(15) . . ?
C48 N7 Pd4 107.28(16) . . ?
C46 N8 C47 118.56(18) . . ?
C46 N8 Pd4 130.78(16) . . ?
C47 N8 Pd4 110.66(17) . . ?
C49 N9 C60 120.88(19) . . ?
C49 N9 Pd5 131.77(17) . . ?
C60 N9 Pd5 107.01(15) . . ?
C58 N10 C59 117.20(18) . . ?
C58 N10 Pd5 131.05(16) . . ?
C59 N10 Pd5 111.11(14) . . ?
C72 N11 C61 117.99(18) . . ?
C72 N11 Pd6 113.72(14) . . ?
C61 N11 Pd6 128.22(15) . . ?
C70 N12 C71 119.62(17) . . ?
C70 N12 Pd6 130.41(16) . . ?
C71 N12 Pd6 109.96(14) . . ?
N14 N13 C79 109.54(19) . . ?
N14 N13 Pd1 117.68(19) . . ?
C79 N13 Pd1 131.46(18) . . ?
N13 N14 C81 106.1(2) . . ?
N13 N14 Pd2 120.33(18) . . ?
C81 N14 Pd2 128.2(2) . . ?
N16 N15 C74 109.35(19) . . ?
N16 N15 Pd1 118.88(18) . . ?
C74 N15 Pd1 129.66(17) . . ?
N15 N16 C76 108.8(2) . . ?
N15 N16 Pd2 119.13(18) . . ?
C76 N16 Pd2 130.87(17) . . ?
C93 N17 N18 105.2(2) . . ?
C93 N17 Pd3 137.3(2) . . ?
N18 N17 Pd3 116.88(19) . . ?
C95 N18 N17 110.2(2) . . ?
C95 N18 Pd4 132.5(2) . . ?
N17 N18 Pd4 117.32(19) . . ?
C98 N19 N20 106.9(3) . . ?
C98 N19 Pd3 132.8(2) . . ?
N20 N19 Pd3 120.23(19) . . ?
N19 N20 C100 108.8(2) . . ?
N19 N20 Pd4 115.77(19) . . ?
C100 N20 Pd4 135.2(2) . . ?
N22 N21 C112 106.1(2) . . ?
N22 N21 Pd5 121.56(18) . . ?
C112 N21 Pd5 131.2(2) . . ?
N21 N22 C114 111.5(2) . . ?
N21 N22 Pd6 119.95(18) . . ?
C114 N22 Pd6 125.06(19) . . ?
C117 N23 N24 111.8(2) . . ?
C117 N23 Pd5 129.1(2) . . ?
N24 N23 Pd5 118.34(18) . . ?
N23 N24 C119 105.6(2) . . ?
N23 N24 Pd6 121.64(19) . . ?
C119 N24 Pd6 130.5(2) . . ?
F5 P1 F4 82.29(12) . . ?
F5 P1 F2 179.21(12) . . ?
F4 P1 F2 96.99(12) . . ?
F5 P1 F6 89.79(12) . . ?
F4 P1 F6 171.61(12) . . ?
F2 P1 F6 90.91(11) . . ?
F5 P1 F1 87.80(11) . . ?
F4 P1 F1 90.65(12) . . ?
F2 P1 F1 92.54(12) . . ?
F6 P1 F1 91.82(11) . . ?
F5 P1 F3 87.93(12) . . ?
F4 P1 F3 92.61(11) . . ?
F2 P1 F3 91.77(12) . . ?
F6 P1 F3 84.29(11) . . ?
F1 P1 F3 174.24(12) . . ?
F10 P2 F12 83.83(11) . . ?
F10 P2 F11 97.10(12) . . ?
F12 P2 F11 176.42(12) . . ?
F10 P2 F8 83.72(11) . . ?
F12 P2 F8 88.85(12) . . ?
F11 P2 F8 87.82(12) . . ?
F10 P2 F7 102.21(12) . . ?
F12 P2 F7 89.84(12) . . ?
F11 P2 F7 93.34(12) . . ?
F8 P2 F7 173.75(12) . . ?
F10 P2 F9 165.25(12) . . ?
F12 P2 F9 89.91(11) . . ?
F11 P2 F9 88.37(11) . . ?
F8 P2 F9 82.81(12) . . ?
F7 P2 F9 91.07(12) . . ?
F14 P3 F16 155.85(13) . . ?
F14 P3 F15 89.83(12) . . ?
F16 P3 F15 93.68(13) . . ?
F14 P3 F18 97.91(11) . . ?
F16 P3 F18 105.93(12) . . ?
F15 P3 F18 90.48(11) . . ?
F14 P3 F13 90.97(11) . . ?
F16 P3 F13 85.33(11) . . ?
F15 P3 F13 178.98(13) . . ?
F18 P3 F13 90.04(11) . . ?
F14 P3 F17 89.51(10) . . ?
F16 P3 F17 66.62(11) . . ?
F15 P3 F17 90.16(11) . . ?
F18 P3 F17 172.55(11) . . ?
F13 P3 F17 89.22(10) . . ?
F24 P4 F22 101.76(11) . . ?
F24 P4 F23 168.79(12) . . ?
F22 P4 F23 89.23(11) . . ?
F24 P4 F20 85.95(11) . . ?
F22 P4 F20 167.84(11) . . ?
F23 P4 F20 82.84(10) . . ?
F24 P4 F21 93.88(10) . . ?
F22 P4 F21 86.48(11) . . ?
F23 P4 F21 84.50(10) . . ?
F20 P4 F21 83.60(11) . . ?
F24 P4 F19 98.81(11) . . ?
F22 P4 F19 100.72(11) . . ?
F23 P4 F19 81.08(10) . . ?
F20 P4 F19 87.20(10) . . ?
F21 P4 F19 163.75(10) . . ?
F25 P5 F26 98.39(12) . . ?
F25 P5 F28 87.62(12) . . ?
F26 P5 F28 173.22(12) . . ?
F25 P5 F30 85.15(12) . . ?
F26 P5 F30 101.68(13) . . ?
F28 P5 F30 75.58(11) . . ?
F25 P5 F27 173.95(13) . . ?
F26 P5 F27 76.03(12) . . ?
F28 P5 F27 97.83(11) . . ?
F30 P5 F27 93.64(11) . . ?
F25 P5 F29 99.18(11) . . ?
F26 P5 F29 72.49(12) . . ?
F28 P5 F29 109.79(12) . . ?
F30 P5 F29 173.12(12) . . ?
F27 P5 F29 81.49(11) . . ?
F36 P6 F31 90.52(12) . . ?
F36 P6 F35 173.91(15) . . ?
F31 P6 F35 89.66(11) . . ?
F36 P6 F34 86.88(13) . . ?
F31 P6 F34 79.90(11) . . ?
F35 P6 F34 87.16(12) . . ?
F36 P6 F33 98.32(13) . . ?
F31 P6 F33 168.15(13) . . ?
F35 P6 F33 80.72(12) . . ?
F34 P6 F33 92.64(12) . . ?
F36 P6 F32 113.60(13) . . ?
F31 P6 F32 92.65(11) . . ?
F35 P6 F32 72.46(11) . . ?
F34 P6 F32 158.42(11) . . ?
F33 P6 F32 91.03(12) . . ?
N13 Pd1 N1 95.09(10) . . ?
N13 Pd1 N2 176.11(11) . . ?
N1 Pd1 N2 82.95(10) . . ?
N13 Pd1 N15 86.41(10) . . ?
N1 Pd1 N15 176.74(10) . . ?
N2 Pd1 N15 95.72(10) . . ?
N14 Pd2 N16 87.91(10) . . ?
N14 Pd2 N3 176.05(10) . . ?
N16 Pd2 N3 95.39(10) . . ?
N14 Pd2 N4 95.67(10) . . ?
N16 Pd2 N4 173.94(11) . . ?
N3 Pd2 N4 81.24(10) . . ?
N17 Pd3 N19 86.40(11) . . ?
N17 Pd3 N5 176.64(10) . . ?
N19 Pd3 N5 96.51(11) . . ?
N17 Pd3 N6 93.93(11) . . ?
N19 Pd3 N6 176.68(10) . . ?
N5 Pd3 N6 83.07(11) . . ?
N17 Pd3 Pd4 63.36(8) . . ?
N19 Pd3 Pd4 62.00(8) . . ?
N5 Pd3 Pd4 116.56(8) . . ?
N6 Pd3 Pd4 115.24(8) . . ?
N8 Pd4 N18 173.91(11) . . ?
N8 Pd4 N20 98.44(11) . . ?
N18 Pd4 N20 87.50(10) . . ?
N8 Pd4 N7 84.37(11) . . ?
N18 Pd4 N7 89.87(10) . . ?
N20 Pd4 N7 173.12(10) . . ?
N8 Pd4 Pd3 121.69(8) . . ?
N18 Pd4 Pd3 62.37(8) . . ?
N20 Pd4 Pd3 61.98(8) . . ?
N7 Pd4 Pd3 111.20(8) . . ?
N10 Pd5 N21 99.75(10) . . ?
N10 Pd5 N23 174.33(10) . . ?
N21 Pd5 N23 85.93(10) . . ?
N10 Pd5 N9 84.69(11) . . ?
N21 Pd5 N9 174.97(10) . . ?
N23 Pd5 N9 89.64(11) . . ?
N24 Pd6 N22 86.68(10) . . ?
N24 Pd6 N12 98.03(10) . . ?
N22 Pd6 N12 175.07(10) . . ?
N24 Pd6 N11 177.73(11) . . ?
N22 Pd6 N11 93.95(10) . . ?
N12 Pd6 N11 81.40(10) . . ?

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
N1 C1 C2 C3 -0.6(5) . . . . ?
C1 C2 C3 C4 -2.7(6) . . . . ?
C2 C3 C4 C5 -179.8(4) . . . . ?
C2 C3 C4 C12 5.0(6) . . . . ?
C3 C4 C5 C6 -174.5(4) . . . . ?
C12 C4 C5 C6 0.4(6) . . . . ?
C4 C5 C6 C7 -0.5(6) . . . . ?
C5 C6 C7 C8 -178.9(4) . . . . ?
C5 C6 C7 C11 0.3(6) . . . . ?
C11 C7 C8 C9 2.0(6) . . . . ?
C6 C7 C8 C9 -178.8(4) . . . . ?
C7 C8 C9 C10 -2.8(6) . . . . ?
C8 C9 C10 N2 1.8(5) . . . . ?
C8 C7 C11 N2 -0.1(6) . . . . ?
C6 C7 C11 N2 -179.3(3) . . . . ?
C8 C7 C11 C12 179.1(4) . . . . ?
C6 C7 C11 C12 -0.1(6) . . . . ?
C5 C4 C12 N1 -179.9(3) . . . . ?
C3 C4 C12 N1 -4.5(6) . . . . ?
C5 C4 C12 C11 -0.2(6) . . . . ?
C3 C4 C12 C11 175.2(3) . . . . ?
C7 C11 C12 N1 179.8(3) . . . . ?
N2 C11 C12 N1 -1.0(4) . . . . ?
C7 C11 C12 C4 0.1(5) . . . . ?
N2 C11 C12 C4 179.3(3) . . . . ?
N3 C13 C14 C15 0.8(4) . . . . ?
C13 C14 C15 C16 2.3(5) . . . . ?
C14 C15 C16 C17 178.1(3) . . . . ?
C14 C15 C16 C24 -3.2(5) . . . . ?
C15 C16 C17 C18 177.6(3) . . . . ?
C24 C16 C17 C18 -1.1(5) . . . . ?
C16 C17 C18 C19 1.0(5) . . . . ?
C17 C18 C19 C20 177.8(3) . . . . ?
C17 C18 C19 C23 -1.5(5) . . . . ?
C23 C19 C20 C21 -3.2(5) . . . . ?
C18 C19 C20 C21 177.5(3) . . . . ?
C19 C20 C21 C22 0.2(5) . . . . ?
C20 C21 C22 N4 0.6(4) . . . . ?
C20 C19 C23 N4 6.0(5) . . . . ?
C18 C19 C23 N4 -174.6(3) . . . . ?
C20 C19 C23 C24 -177.2(3) . . . . ?
C18 C19 C23 C24 2.2(5) . . . . ?
C15 C16 C24 N3 1.1(4) . . . . ?
C17 C16 C24 N3 179.8(3) . . . . ?
C15 C16 C24 C23 -176.9(3) . . . . ?
C17 C16 C24 C23 1.8(5) . . . . ?
N4 C23 C24 N3 -3.3(4) . . . . ?
C19 C23 C24 N3 179.6(3) . . . . ?
N4 C23 C24 C16 174.8(3) . . . . ?
C19 C23 C24 C16 -2.4(5) . . . . ?
N5 C25 C26 C27 -1.3(4) . . . . ?
C25 C26 C27 C28 4.8(4) . . . . ?
C26 C27 C28 C36 -7.6(4) . . . . ?
C26 C27 C28 C29 -179.9(3) . . . . ?
C27 C28 C29 C30 171.7(3) . . . . ?
C36 C28 C29 C30 -0.2(4) . . . . ?
C28 C29 C30 C31 1.1(5) . . . . ?
C29 C30 C31 C35 -1.3(5) . . . . ?
C29 C30 C31 C32 -179.9(3) . . . . ?
C30 C31 C32 C33 179.8(3) . . . . ?
C35 C31 C32 C33 1.1(5) . . . . ?
C31 C32 C33 C34 -0.7(5) . . . . ?
C32 C33 C34 N6 -0.2(4) . . . . ?
C30 C31 C35 N6 -179.4(3) . . . . ?
C32 C31 C35 N6 -0.8(4) . . . . ?
C30 C31 C35 C36 0.5(4) . . . . ?
C32 C31 C35 C36 179.1(3) . . . . ?
C27 C28 C36 N5 7.6(4) . . . . ?
C29 C28 C36 N5 -180.0(2) . . . . ?
C27 C28 C36 C35 -173.0(3) . . . . ?
C29 C28 C36 C35 -0.6(4) . . . . ?
N6 C35 C36 N5 -0.2(4) . . . . ?
C31 C35 C36 N5 179.9(2) . . . . ?
N6 C35 C36 C28 -179.7(2) . . . . ?
C31 C35 C36 C28 0.5(4) . . . . ?
N7 C37 C38 C39 0.6(5) . . . . ?
C37 C38 C39 C40 -1.9(5) . . . . ?
C38 C39 C40 C41 -178.6(3) . . . . ?
C38 C39 C40 C48 1.6(5) . . . . ?
C39 C40 C41 C42 179.7(3) . . . . ?
C48 C40 C41 C42 -0.5(5) . . . . ?
C40 C41 C42 C43 1.7(5) . . . . ?
C41 C42 C43 C47 -2.2(5) . . . . ?
C41 C42 C43 C44 178.5(3) . . . . ?
C42 C43 C44 C45 178.0(3) . . . . ?
C47 C43 C44 C45 -1.3(5) . . . . ?
C43 C44 C45 C46 1.7(5) . . . . ?
C44 C45 C46 N8 -1.3(5) . . . . ?
C42 C43 C47 C48 1.5(5) . . . . ?
C44 C43 C47 C48 -179.2(3) . . . . ?
C42 C43 C47 N8 -178.7(3) . . . . ?
C44 C43 C47 N8 0.6(5) . . . . ?
C43 C47 C48 N7 179.4(3) . . . . ?
N8 C47 C48 N7 -0.4(4) . . . . ?
C43 C47 C48 C40 -0.2(5) . . . . ?
N8 C47 C48 C40 180.0(2) . . . . ?
C41 C40 C48 C47 -0.3(5) . . . . ?
C39 C40 C48 C47 179.5(3) . . . . ?
C41 C40 C48 N7 -179.9(2) . . . . ?
C39 C40 C48 N7 -0.1(4) . . . . ?
N9 C49 C50 C51 0.1(4) . . . . ?
C49 C50 C51 C52 1.0(5) . . . . ?
C50 C51 C52 C53 180.0(3) . . . . ?
C50 C51 C52 C60 -0.9(5) . . . . ?
C51 C52 C53 C54 179.2(3) . . . . ?
C60 C52 C53 C54 0.1(5) . . . . ?
C52 C53 C54 C55 0.1(5) . . . . ?
C53 C54 C55 C56 -174.5(3) . . . . ?
C53 C54 C55 C59 -0.8(5) . . . . ?
C54 C55 C56 C57 176.2(3) . . . . ?
C59 C55 C56 C57 2.0(5) . . . . ?
C55 C56 C57 C58 -1.1(5) . . . . ?
C56 C57 C58 N10 -1.1(4) . . . . ?
C54 C55 C59 C60 1.4(5) . . . . ?
C56 C55 C59 C60 175.8(3) . . . . ?
C54 C55 C59 N10 -175.4(3) . . . . ?
C56 C55 C59 N10 -1.0(4) . . . . ?
N10 C59 C60 N9 -2.4(4) . . . . ?
C55 C59 C60 N9 -179.5(2) . . . . ?
N10 C59 C60 C52 175.9(2) . . . . ?
C55 C59 C60 C52 -1.2(4) . . . . ?
C53 C52 C60 C59 0.5(5) . . . . ?
C51 C52 C60 C59 -178.6(3) . . . . ?
C53 C52 C60 N9 178.9(3) . . . . ?
C51 C52 C60 N9 -0.3(4) . . . . ?
N11 C61 C62 C63 -0.8(4) . . . . ?
C61 C62 C63 C64 2.1(5) . . . . ?
C62 C63 C64 C65 -179.6(3) . . . . ?
C62 C63 C64 C72 -2.3(5) . . . . ?
C63 C64 C65 C66 176.8(3) . . . . ?
C72 C64 C65 C66 -0.4(5) . . . . ?
C64 C65 C66 C67 0.5(4) . . . . ?
C65 C66 C67 C71 -0.7(4) . . . . ?
C65 C66 C67 C68 -179.6(3) . . . . ?
C66 C67 C68 C69 179.8(3) . . . . ?
C71 C67 C68 C69 1.0(5) . . . . ?
C67 C68 C69 C70 -2.5(5) . . . . ?
C68 C69 C70 N12 3.7(4) . . . . ?
C66 C67 C71 C72 0.8(5) . . . . ?
C68 C67 C71 C72 179.6(3) . . . . ?
C66 C67 C71 N12 -179.5(2) . . . . ?
C68 C67 C71 N12 -0.6(4) . . . . ?
N12 C71 C72 N11 1.1(4) . . . . ?
C67 C71 C72 N11 -179.1(3) . . . . ?
N12 C71 C72 C64 179.7(3) . . . . ?
C67 C71 C72 C64 -0.6(5) . . . . ?
C63 C64 C72 N11 1.3(4) . . . . ?
C65 C64 C72 N11 178.7(3) . . . . ?
C63 C64 C72 C71 -177.0(3) . . . . ?
C65 C64 C72 C71 0.4(5) . . . . ?
N15 C74 C75 C76 -5.4(3) . . . . ?
C73 C74 C75 C76 174.8(3) . . . . ?
N15 C74 C75 C109 -178.19(19) . . . 2_666 ?
C73 C74 C75 C109 2.0(5) . . . 2_666 ?
C74 C75 C76 N16 5.0(4) . . . . ?
C109 C75 C76 N16 177.6(2) 2_666 . . . ?
C74 C75 C76 C77 -180.0(3) . . . . ?
C109 C75 C76 C77 -7.4(6) 2_666 . . . ?
N13 C79 C80 C81 3.4(3) . . . . ?
C78 C79 C80 C81 179.4(2) . . . . ?
N13 C79 C80 C83 177.56(19) . . . . ?
C78 C79 C80 C83 -6.5(5) . . . . ?
C79 C80 C81 N14 -5.6(2) . . . . ?
C83 C80 C81 N14 -179.83(18) . . . . ?
C79 C80 C81 C82 -175.9(3) . . . . ?
C83 C80 C81 C82 9.8(4) . . . . ?
C79 C80 C83 C84 126.0(3) . . . . ?
C81 C80 C83 C84 -61.0(3) . . . . ?
C80 C83 C84 C85 132.4(3) . . . . ?
C80 C83 C84 C89 -43.2(4) . . . . ?
C89 C84 C85 C86 -0.9(5) . . . . ?
C83 C84 C85 C86 -176.5(3) . . . . ?
C84 C85 C86 C87 -0.4(5) . . . . ?
C84 C85 C86 C90 172.7(3) . . . 2_666 ?
C85 C86 C87 C88 0.4(5) . . . . ?
C90 C86 C87 C88 -172.5(3) 2_666 . . . ?
C86 C87 C88 C89 1.1(5) . . . . ?
C86 C87 C88 C91 176.3(3) . . . . ?
C87 C88 C89 C84 -2.4(4) . . . . ?
C91 C88 C89 C84 -177.4(3) . . . . ?
C85 C84 C89 C88 2.3(4) . . . . ?
C83 C84 C89 C88 178.0(3) . . . . ?
C89 C88 C91 C94 -80.9(3) . . . . ?
C87 C88 C91 C94 103.9(3) . . . . ?
N17 C93 C94 C95 -2.0(3) . . . . ?
C92 C93 C94 C95 -170.5(3) . . . . ?
N17 C93 C94 C91 179.4(3) . . . . ?
C92 C93 C94 C91 11.0(5) . . . . ?
C88 C91 C94 C93 -84.7(4) . . . . ?
C88 C91 C94 C95 97.3(4) . . . . ?
C93 C94 C95 N18 -1.3(3) . . . . ?
C91 C94 C95 N18 177.1(3) . . . . ?
C93 C94 C95 C96 176.4(3) . . . . ?
C91 C94 C95 C96 -5.1(5) . . . . ?
N19 C98 C99 C100 -5.3(4) . . . . ?
C97 C98 C99 C100 174.6(3) . . . . ?
N19 C98 C99 C102 177.5(3) . . . . ?
C97 C98 C99 C102 -2.6(5) . . . . ?
C98 C99 C100 N20 8.0(3) . . . . ?
C102 C99 C100 N20 -174.4(3) . . . . ?
C98 C99 C100 C101 -178.7(3) . . . . ?
C102 C99 C100 C101 -1.1(5) . . . . ?
C98 C99 C102 C103 78.3(4) . . . . ?
C100 C99 C102 C103 -98.4(3) . . . . ?
C99 C102 C103 C104 -97.9(4) . . . . ?
C99 C102 C103 C108 82.0(4) . . . . ?
C108 C103 C104 C105 -0.6(5) . . . . ?
C102 C103 C104 C105 179.3(3) . . . . ?
C103 C104 C105 C106 0.6(4) . . . . ?
C103 C104 C105 C109 176.4(3) . . . . ?
C104 C105 C106 C107 -1.2(4) . . . . ?
C109 C105 C106 C107 -176.9(3) . . . . ?
C105 C106 C107 C108 1.6(4) . . . . ?
C105 C106 C107 C110 177.3(3) . . . . ?
C104 C103 C108 C107 1.0(5) . . . . ?
C102 C103 C108 C107 -178.9(3) . . . . ?
C106 C107 C108 C103 -1.5(5) . . . . ?
C110 C107 C108 C103 -177.1(3) . . . . ?
C106 C105 C109 C75 33.5(4) . . . 2_666 ?
C104 C105 C109 C75 -142.3(2) . . . 2_666 ?
C106 C107 C110 C113 -126.9(3) . . . . ?
C108 C107 C110 C113 48.6(4) . . . . ?
N21 C112 C113 C114 -5.3(3) . . . . ?
C111 C112 C113 C114 -179.3(3) . . . . ?
N21 C112 C113 C110 179.7(3) . . . . ?
C111 C112 C113 C110 5.7(5) . . . . ?
C107 C110 C113 C112 55.2(4) . . . . ?
C107 C110 C113 C114 -119.2(3) . . . . ?
C112 C113 C114 N22 0.6(3) . . . . ?
C110 C113 C114 N22 176.2(2) . . . . ?
C112 C113 C114 C115 -174.9(3) . . . . ?
C110 C113 C114 C115 0.7(4) . . . . ?
N23 C117 C118 C119 7.3(4) . . . . ?
C116 C117 C118 C119 179.0(3) . . . . ?
N23 C117 C118 C90 -177.3(2) . . . . ?
C116 C117 C118 C90 -5.6(5) . . . . ?
C86 C90 C118 C119 -116.5(4) 2_666 . . . ?
C86 C90 C118 C117 68.5(4) 2_666 . . . ?
C117 C118 C119 N24 -4.6(3) . . . . ?
C90 C118 C119 N24 -179.7(3) . . . . ?
C117 C118 C119 C120 177.7(3) . . . . ?
C90 C118 C119 C120 2.6(6) . . . . ?
C2 C1 N1 C12 1.2(4) . . . . ?
C2 C1 N1 Pd1 -177.8(2) . . . . ?
C4 C12 N1 C1 1.4(5) . . . . ?
C11 C12 N1 C1 -178.3(3) . . . . ?
C4 C12 N1 Pd1 -179.4(3) . . . . ?
C11 C12 N1 Pd1 0.9(3) . . . . ?
C7 C11 N2 C10 -0.8(4) . . . . ?
C12 C11 N2 C10 180.0(3) . . . . ?
C7 C11 N2 Pd1 179.8(3) . . . . ?
C12 C11 N2 Pd1 0.6(3) . . . . ?
C9 C10 N2 C11 -0.1(4) . . . . ?
C9 C10 N2 Pd1 179.2(2) . . . . ?
C14 C13 N3 C24 -2.8(4) . . . . ?
C14 C13 N3 Pd2 166.48(19) . . . . ?
C16 C24 N3 C13 1.9(4) . . . . ?
C23 C24 N3 C13 179.9(3) . . . . ?
C16 C24 N3 Pd2 -169.4(2) . . . . ?
C23 C24 N3 Pd2 8.6(3) . . . . ?
C19 C23 N4 C22 -5.2(4) . . . . ?
C24 C23 N4 C22 177.8(2) . . . . ?
C19 C23 N4 Pd2 173.0(3) . . . . ?
C24 C23 N4 Pd2 -4.0(3) . . . . ?
C21 C22 N4 C23 1.7(4) . . . . ?
C21 C22 N4 Pd2 -176.17(19) . . . . ?
C28 C36 N5 C25 -4.4(3) . . . . ?
C35 C36 N5 C25 176.2(2) . . . . ?
C28 C36 N5 Pd3 176.7(2) . . . . ?
C35 C36 N5 Pd3 -2.7(3) . . . . ?
C26 C25 N5 C36 1.0(3) . . . . ?
C26 C25 N5 Pd3 179.73(17) . . . . ?
C36 C35 N6 C34 -179.9(2) . . . . ?
C31 C35 N6 C34 0.0(3) . . . . ?
C36 C35 N6 Pd3 3.0(3) . . . . ?
C31 C35 N6 Pd3 -177.1(2) . . . . ?
C33 C34 N6 C35 0.5(3) . . . . ?
C33 C34 N6 Pd3 176.88(18) . . . . ?
C38 C37 N7 C48 0.9(4) . . . . ?
C38 C37 N7 Pd4 177.79(19) . . . . ?
C47 C48 N7 C37 179.3(3) . . . . ?
C40 C48 N7 C37 -1.1(4) . . . . ?
C47 C48 N7 Pd4 1.7(3) . . . . ?
C40 C48 N7 Pd4 -178.7(2) . . . . ?
C45 C46 N8 C47 0.6(4) . . . . ?
C45 C46 N8 Pd4 -178.53(19) . . . . ?
C48 C47 N8 C46 179.5(3) . . . . ?
C43 C47 N8 C46 -0.3(4) . . . . ?
C48 C47 N8 Pd4 -1.1(3) . . . . ?
C43 C47 N8 Pd4 179.0(3) . . . . ?
C50 C49 N9 C60 -1.2(4) . . . . ?
C50 C49 N9 Pd5 -173.60(18) . . . . ?
C59 C60 N9 C49 179.7(2) . . . . ?
C52 C60 N9 C49 1.4(4) . . . . ?
C59 C60 N9 Pd5 -6.3(3) . . . . ?
C52 C60 N9 Pd5 175.4(2) . . . . ?
C57 C58 N10 C59 2.1(3) . . . . ?
C57 C58 N10 Pd5 171.94(18) . . . . ?
C60 C59 N10 C58 -177.8(2) . . . . ?
C55 C59 N10 C58 -1.0(4) . . . . ?
C60 C59 N10 Pd5 10.3(3) . . . . ?
C55 C59 N10 Pd5 -172.8(2) . . . . ?
C71 C72 N11 C61 178.3(2) . . . . ?
C64 C72 N11 C61 -0.1(4) . . . . ?
C71 C72 N11 Pd6 -4.5(3) . . . . ?
C64 C72 N11 Pd6 177.1(2) . . . . ?
C62 C61 N11 C72 -0.2(4) . . . . ?
C62 C61 N11 Pd6 -176.93(19) . . . . ?
C69 C70 N12 C71 -3.4(4) . . . . ?
C69 C70 N12 Pd6 175.15(19) . . . . ?
C72 C71 N12 C70 -178.4(3) . . . . ?
C67 C71 N12 C70 1.8(4) . . . . ?
C72 C71 N12 Pd6 2.7(3) . . . . ?
C67 C71 N12 Pd6 -177.0(2) . . . . ?
C80 C79 N13 N14 -0.1(2) . . . . ?
C78 C79 N13 N14 -176.4(2) . . . . ?
C80 C79 N13 Pd1 -166.32(14) . . . . ?
C78 C79 N13 Pd1 17.3(3) . . . . ?
C79 N13 N14 C81 -3.4(3) . . . . ?
Pd1 N13 N14 C81 165.04(17) . . . . ?
C79 N13 N14 Pd2 -159.56(13) . . . . ?
Pd1 N13 N14 Pd2 8.8(3) . . . . ?
C80 C81 N14 N13 5.6(3) . . . . ?
C82 C81 N14 N13 177.3(2) . . . . ?
C80 C81 N14 Pd2 159.27(16) . . . . ?
C82 C81 N14 Pd2 -29.0(4) . . . . ?
C75 C74 N15 N16 3.8(2) . . . . ?
C73 C74 N15 N16 -176.32(19) . . . . ?
C75 C74 N15 Pd1 166.79(16) . . . . ?
C73 C74 N15 Pd1 -13.4(3) . . . . ?
C74 N15 N16 C76 -1.0(3) . . . . ?
Pd1 N15 N16 C76 -166.08(14) . . . . ?
C74 N15 N16 Pd2 167.74(14) . . . . ?
Pd1 N15 N16 Pd2 2.7(3) . . . . ?
C75 C76 N16 N15 -2.2(3) . . . . ?
C77 C76 N16 N15 -178.1(2) . . . . ?
C75 C76 N16 Pd2 -169.15(17) . . . . ?
C77 C76 N16 Pd2 15.0(4) . . . . ?
C94 C93 N17 N18 4.4(3) . . . . ?
C92 C93 N17 N18 173.6(2) . . . . ?
C94 C93 N17 Pd3 174.6(2) . . . . ?
C92 C93 N17 Pd3 -16.2(4) . . . . ?
C94 C95 N18 N17 4.1(3) . . . . ?
C96 C95 N18 N17 -173.6(3) . . . . ?
C94 C95 N18 Pd4 -176.9(2) . . . . ?
C96 C95 N18 Pd4 5.3(4) . . . . ?
C93 N17 N18 C95 -5.2(3) . . . . ?
Pd3 N17 N18 C95 -177.76(19) . . . . ?
C93 N17 N18 Pd4 175.70(19) . . . . ?
Pd3 N17 N18 Pd4 3.1(3) . . . . ?
C99 C98 N19 N20 0.3(4) . . . . ?
C97 C98 N19 N20 -179.5(3) . . . . ?
C99 C98 N19 Pd3 -176.9(2) . . . . ?
C97 C98 N19 Pd3 3.3(5) . . . . ?
C98 N19 N20 C100 5.1(3) . . . . ?
Pd3 N19 N20 C100 -177.25(18) . . . . ?
C98 N19 N20 Pd4 -179.5(2) . . . . ?
Pd3 N19 N20 Pd4 -1.9(3) . . . . ?
C99 C100 N20 N19 -8.5(3) . . . . ?
C101 C100 N20 N19 176.7(2) . . . . ?
C99 C100 N20 Pd4 177.4(2) . . . . ?
C101 C100 N20 Pd4 2.6(4) . . . . ?
C113 C112 N21 N22 8.2(3) . . . . ?
C111 C112 N21 N22 -177.8(3) . . . . ?
C113 C112 N21 Pd5 -159.6(2) . . . . ?
C111 C112 N21 Pd5 14.4(4) . . . . ?
C112 N21 N22 C114 -7.5(3) . . . . ?
Pd5 N21 N22 C114 161.67(17) . . . . ?
C112 N21 N22 Pd6 -167.44(18) . . . . ?
Pd5 N21 N22 Pd6 1.8(3) . . . . ?
C113 C114 N22 N21 4.5(3) . . . . ?
C115 C114 N22 N21 -179.7(2) . . . . ?
C113 C114 N22 Pd6 163.12(19) . . . . ?
C115 C114 N22 Pd6 -21.0(4) . . . . ?
C118 C117 N23 N24 -6.9(3) . . . . ?
C116 C117 N23 N24 -179.8(3) . . . . ?
C118 C117 N23 Pd5 162.5(2) . . . . ?
C116 C117 N23 Pd5 -10.4(4) . . . . ?
C117 N23 N24 C119 4.4(3) . . . . ?
Pd5 N23 N24 C119 -166.27(18) . . . . ?
C117 N23 N24 Pd6 168.7(2) . . . . ?
Pd5 N23 N24 Pd6 -1.9(3) . . . . ?
C118 C119 N24 N23 0.1(3) . . . . ?
C120 C119 N24 N23 178.3(2) . . . . ?
C118 C119 N24 Pd6 -162.3(2) . . . . ?
C120 C119 N24 Pd6 15.9(4) . . . . ?
N14 N13 Pd1 N1 113.43(19) . . . . ?
C79 N13 Pd1 N1 -81.2(2) . . . . ?
N14 N13 Pd1 N15 -63.7(2) . . . . ?
C79 N13 Pd1 N15 101.7(2) . . . . ?
C1 N1 Pd1 N13 -4.8(2) . . . . ?
C12 N1 Pd1 N13 176.12(17) . . . . ?
C1 N1 Pd1 N2 178.6(2) . . . . ?
C12 N1 Pd1 N2 -0.49(17) . . . . ?
C11 N2 Pd1 N1 -0.04(16) . . . . ?
C10 N2 Pd1 N1 -179.4(2) . . . . ?
C11 N2 Pd1 N15 176.97(16) . . . . ?
C10 N2 Pd1 N15 -2.4(2) . . . . ?
N16 N15 Pd1 N13 57.3(2) . . . . ?
C74 N15 Pd1 N13 -104.3(2) . . . . ?
N16 N15 Pd1 N2 -126.0(2) . . . . ?
C74 N15 Pd1 N2 72.5(2) . . . . ?
N13 N14 Pd2 N16 52.2(2) . . . . ?
C81 N14 Pd2 N16 -98.2(3) . . . . ?
N13 N14 Pd2 N4 -122.9(2) . . . . ?
C81 N14 Pd2 N4 86.7(2) . . . . ?
N15 N16 Pd2 N14 -58.4(2) . . . . ?
C76 N16 Pd2 N14 107.5(2) . . . . ?
N15 N16 Pd2 N3 123.8(2) . . . . ?
C76 N16 Pd2 N3 -70.3(2) . . . . ?
C13 N3 Pd2 N16 7.1(2) . . . . ?
C24 N3 Pd2 N16 177.19(14) . . . . ?
C13 N3 Pd2 N4 -178.0(2) . . . . ?
C24 N3 Pd2 N4 -7.88(14) . . . . ?
C23 N4 Pd2 N14 -170.73(16) . . . . ?
C22 N4 Pd2 N14 7.2(2) . . . . ?
C23 N4 Pd2 N3 6.79(16) . . . . ?
C22 N4 Pd2 N3 -175.3(2) . . . . ?
C93 N17 Pd3 N19 128.3(3) . . . . ?
N18 N17 Pd3 N19 -62.3(2) . . . . ?
C93 N17 Pd3 N6 -55.0(3) . . . . ?
N18 N17 Pd3 N6 114.4(2) . . . . ?
C93 N17 Pd3 Pd4 -171.4(3) . . . . ?
N18 N17 Pd3 Pd4 -1.93(16) . . . . ?
C98 N19 Pd3 N17 -120.3(3) . . . . ?
N20 N19 Pd3 N17 62.8(2) . . . . ?
C98 N19 Pd3 N5 61.4(3) . . . . ?
N20 N19 Pd3 N5 -115.5(2) . . . . ?
C98 N19 Pd3 Pd4 178.1(3) . . . . ?
N20 N19 Pd3 Pd4 1.21(18) . . . . ?
C36 N5 Pd3 N19 -179.94(14) . . . . ?
C25 N5 Pd3 N19 1.3(2) . . . . ?
C36 N5 Pd3 N6 3.38(14) . . . . ?
C25 N5 Pd3 N6 -175.4(2) . . . . ?
C36 N5 Pd3 Pd4 118.18(13) . . . . ?
C25 N5 Pd3 Pd4 -60.58(19) . . . . ?
C35 N6 Pd3 N17 178.19(15) . . . . ?
C34 N6 Pd3 N17 1.5(2) . . . . ?
C35 N6 Pd3 N5 -3.34(15) . . . . ?
C34 N6 Pd3 N5 180.0(2) . . . . ?
C35 N6 Pd3 Pd4 -119.49(13) . . . . ?
C34 N6 Pd3 Pd4 63.8(2) . . . . ?
C46 N8 Pd4 N20 7.2(2) . . . . ?
C47 N8 Pd4 N20 -172.07(15) . . . . ?
C46 N8 Pd4 N7 -179.2(2) . . . . ?
C47 N8 Pd4 N7 1.60(15) . . . . ?
C46 N8 Pd4 Pd3 69.3(2) . . . . ?
C47 N8 Pd4 Pd3 -109.88(14) . . . . ?
C95 N18 Pd4 N20 -121.4(3) . . . . ?
N17 N18 Pd4 N20 57.5(2) . . . . ?
C95 N18 Pd4 N7 65.0(3) . . . . ?
N17 N18 Pd4 N7 -116.1(2) . . . . ?
C95 N18 Pd4 Pd3 179.1(3) . . . . ?
N17 N18 Pd4 Pd3 -1.93(16) . . . . ?
N19 N20 Pd4 N8 122.6(2) . . . . ?
C100 N20 Pd4 N8 -63.6(3) . . . . ?
N19 N20 Pd4 N18 -58.7(2) . . . . ?
C100 N20 Pd4 N18 115.1(3) . . . . ?
N19 N20 Pd4 Pd3 1.13(17) . . . . ?
C100 N20 Pd4 Pd3 174.9(3) . . . . ?
C37 N7 Pd4 N8 -179.0(2) . . . . ?
C48 N7 Pd4 N8 -1.75(15) . . . . ?
C37 N7 Pd4 N18 3.0(2) . . . . ?
C48 N7 Pd4 N18 -179.77(15) . . . . ?
C37 N7 Pd4 Pd3 -57.1(2) . . . . ?
C48 N7 Pd4 Pd3 120.12(13) . . . . ?
N17 Pd3 Pd4 N8 176.11(12) . . . . ?
N19 Pd3 Pd4 N8 -83.11(13) . . . . ?
N5 Pd3 Pd4 N8 -0.14(12) . . . . ?
N6 Pd3 Pd4 N8 94.83(12) . . . . ?
N17 Pd3 Pd4 N18 1.33(11) . . . . ?
N19 Pd3 Pd4 N18 102.11(12) . . . . ?
N5 Pd3 Pd4 N18 -174.91(11) . . . . ?
N6 Pd3 Pd4 N18 -79.95(11) . . . . ?
N17 Pd3 Pd4 N20 -101.54(11) . . . . ?
N19 Pd3 Pd4 N20 -0.76(11) . . . . ?
N5 Pd3 Pd4 N20 82.22(11) . . . . ?
N6 Pd3 Pd4 N20 177.18(11) . . . . ?
N17 Pd3 Pd4 N7 79.46(11) . . . . ?
N19 Pd3 Pd4 N7 -179.76(11) . . . . ?
N5 Pd3 Pd4 N7 -96.78(11) . . . . ?
N6 Pd3 Pd4 N7 -1.82(11) . . . . ?
C58 N10 Pd5 N21 1.3(2) . . . . ?
C59 N10 Pd5 N21 171.64(14) . . . . ?
C58 N10 Pd5 N9 178.9(2) . . . . ?
C59 N10 Pd5 N9 -10.75(15) . . . . ?
N22 N21 Pd5 N10 121.0(2) . . . . ?
C112 N21 Pd5 N10 -72.8(3) . . . . ?
N22 N21 Pd5 N23 -58.9(2) . . . . ?
C112 N21 Pd5 N23 107.3(2) . . . . ?
C117 N23 Pd5 N21 -111.3(3) . . . . ?
N24 N23 Pd5 N21 57.6(2) . . . . ?
C117 N23 Pd5 N9 71.1(3) . . . . ?
N24 N23 Pd5 N9 -120.1(2) . . . . ?
C49 N9 Pd5 N10 -177.7(2) . . . . ?
C49 N9 Pd5 N23 2.5(2) . . . . ?
C60 N9 Pd5 N23 -170.68(15) . . . . ?
N23 N24 Pd6 N22 -55.0(2) . . . . ?
C119 N24 Pd6 N22 105.0(2) . . . . ?
N23 N24 Pd6 N12 126.5(2) . . . . ?
N21 N22 Pd6 N11 -122.7(2) . . . . ?
C114 N22 Pd6 N11 80.3(2) . . . . ?
C70 N12 Pd6 N24 -0.3(2) . . . . ?
C61 N11 Pd6 N22 3.2(2) . . . . ?
C72 N11 Pd6 N12 4.67(16) . . . . ?
C61 N11 Pd6 N12 -178.4(2) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        28.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.026
_refine_diff_density_min         -1.015
_refine_diff_density_rms         0.116
_chemical_properties_physical    Air-sensitive
_database_code_depnum_ccdc_archive 'CCDC 1007899'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_shelx

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C184 H164 N44 Pd10, 8(N O3), 12(H2 O)'
_chemical_formula_sum            'C184 H188 N52 O36 Pd10'
_chemical_formula_weight         4767.86

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'
O O 0.0106 0.0060 '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   '
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.367(9)
_cell_length_b                   18.976(9)
_cell_length_c                   21.069(11)
_cell_angle_alpha                94.611(12)
_cell_angle_beta                 107.429(14)
_cell_angle_gamma                95.671(3)
_cell_volume                     6171(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    160(2)
_cell_measurement_reflns_used    7175
_cell_measurement_theta_min      2.12
_cell_measurement_theta_max      24.72

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2404
_exptl_absorpt_coefficient_mu    0.778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.811
_exptl_absorpt_correction_T_max  0.852
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      160(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_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            76199
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.02
_diffrn_reflns_theta_max         26.00
_reflns_number_total             24276
_reflns_number_gt                17989
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  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           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.06P)²+1.66P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         24276
_refine_ls_number_parameters     1408
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0582
_refine_ls_wR_factor_ref         0.1298
_refine_ls_wR_factor_gt          0.1249
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.000
_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
C1 C 0.4381(3) 0.2710(2) 0.5342(3) 0.0604(12) Uani 1 1 d . . .
C2 C 0.4588(4) 0.2332(3) 0.4820(3) 0.0673(13) Uani 1 1 d . . .
H2 H 0.4164 0.2232 0.4392 0.081 Uiso 1 1 calc R . .
C3 C 0.5403(3) 0.2094(3) 0.4911(3) 0.0631(13) Uani 1 1 d . . .
C4 C 0.5984(3) 0.2224(2) 0.5568(2) 0.0572(12) Uani 1 1 d . . .
H4 H 0.6532 0.2059 0.5651 0.069 Uiso 1 1 calc R . .
C5 C 0.5799(3) 0.2580(3) 0.6097(2) 0.0579(12) Uani 1 1 d . . .
C6 C 0.5009(3) 0.2824(3) 0.5978(3) 0.0656(13) Uani 1 1 d . . .
H6 H 0.4883 0.3077 0.6338 0.079 Uiso 1 1 calc R . .
C7 C 0.3689(3) 0.3665(3) 0.4147(3) 0.0628(12) Uani 1 1 d . . .
H7A H 0.3515 0.3334 0.3734 0.094 Uiso 1 1 calc R . .
H7B H 0.4316 0.3703 0.4355 0.094 Uiso 1 1 calc R . .
H7C H 0.3529 0.4136 0.4041 0.094 Uiso 1 1 calc R . .
C8 C 0.3244(3) 0.3395(3) 0.4621(3) 0.0609(12) Uani 1 1 d . . .
C9 C 0.3570(3) 0.3013(3) 0.5179(3) 0.0635(13) Uani 1 1 d . . .
C10 C 0.2922(3) 0.2969(3) 0.5513(3) 0.0622(12) Uani 1 1 d . . .
C11 C 0.2866(3) 0.2637(3) 0.6099(3) 0.0666(13) Uani 1 1 d . . .
H11A H 0.2732 0.2985 0.6411 0.100 Uiso 1 1 calc R . .
H11B H 0.3419 0.2473 0.6320 0.100 Uiso 1 1 calc R . .
H11C H 0.2409 0.2230 0.5962 0.100 Uiso 1 1 calc R . .
C12 C 0.4466(3) 0.0617(3) 0.3906(3) 0.0647(13) Uani 1 1 d . . .
H12A H 0.4196 0.0383 0.3448 0.097 Uiso 1 1 calc R . .
H12B H 0.4053 0.0887 0.4042 0.097 Uiso 1 1 calc R . .
H12C H 0.4635 0.0255 0.4210 0.097 Uiso 1 1 calc R . .
C13 C 0.5247(3) 0.1112(2) 0.3934(2) 0.0567(11) Uani 1 1 d . . .
C14 C 0.5649(4) 0.1738(3) 0.4365(3) 0.0675(13) Uani 1 1 d . . .
C15 C 0.6372(3) 0.1969(3) 0.4184(3) 0.0654(13) Uani 1 1 d . . .
C16 C 0.7020(3) 0.2597(3) 0.4456(3) 0.0616(13) Uani 1 1 d . . .
H16A H 0.7563 0.2448 0.4722 0.092 Uiso 1 1 calc R . .
H16B H 0.6814 0.2924 0.4741 0.092 Uiso 1 1 calc R . .
H16C H 0.7117 0.2841 0.4087 0.092 Uiso 1 1 calc R . .
C17 C 0.7752(3) 0.3443(3) 0.6583(2) 0.0583(12) Uani 1 1 d . . .
H17A H 0.8164 0.3825 0.6888 0.087 Uiso 1 1 calc R . .
H17B H 0.7338 0.3651 0.6233 0.087 Uiso 1 1 calc R . .
H17C H 0.8064 0.3126 0.6378 0.087 Uiso 1 1 calc R . .
C18 C 0.7281(3) 0.3027(3) 0.6967(3) 0.0656(14) Uani 1 1 d . . .
C19 C 0.6432(3) 0.2682(3) 0.6773(2) 0.0617(12) Uani 1 1 d . . .
C20 C 0.6333(3) 0.2418(3) 0.7374(2) 0.0593(12) Uani 1 1 d . . .
C21 C 0.5572(3) 0.1968(3) 0.7432(3) 0.0609(12) Uani 1 1 d . . .
H21A H 0.5763 0.1635 0.7761 0.091 Uiso 1 1 calc R . .
H21B H 0.5253 0.1701 0.6996 0.091 Uiso 1 1 calc R . .
H21C H 0.5195 0.2272 0.7577 0.091 Uiso 1 1 calc R . .
C22 C 0.8142(3) -0.0932(3) 0.6385(2) 0.0600(12) Uani 1 1 d . . .
C23 C 0.7924(3) -0.0805(3) 0.5730(3) 0.0624(12) Uani 1 1 d . . .
H23 H 0.7826 -0.1195 0.5393 0.075 Uiso 1 1 calc R . .
C24 C 0.7843(3) -0.0130(3) 0.5545(2) 0.0591(12) Uani 1 1 d . . .
C25 C 0.8000(3) 0.0445(3) 0.6043(2) 0.0631(13) Uani 1 1 d . . .
H25 H 0.7961 0.0916 0.5924 0.076 Uiso 1 1 calc R . .
C26 C 0.8219(3) 0.0326(3) 0.6731(2) 0.0636(13) Uani 1 1 d . . .
C27 C 0.8270(3) -0.0370(3) 0.6892(3) 0.0606(12) Uani 1 1 d . . .
H27 H 0.8392 -0.0463 0.7345 0.073 Uiso 1 1 calc R . .
C28 C 0.7263(3) -0.1757(3) 0.7398(2) 0.0647(13) Uani 1 1 d . . .
H28A H 0.6733 -0.2090 0.7300 0.097 Uiso 1 1 calc R . .
H28B H 0.7115 -0.1283 0.7291 0.097 Uiso 1 1 calc R . .
H28C H 0.7590 -0.1730 0.7874 0.097 Uiso 1 1 calc R . .
C29 C 0.7806(3) -0.2013(3) 0.6980(3) 0.0619(12) Uani 1 1 d . . .
C30 C 0.8195(4) -0.1676(3) 0.6565(3) 0.0648(13) Uani 1 1 d . . .
C31 C 0.8630(4) -0.2185(3) 0.6314(3) 0.0716(15) Uani 1 1 d . . .
C32 C 0.9199(3) -0.2120(3) 0.5877(3) 0.0666(14) Uani 1 1 d . . .
H32A H 0.9483 -0.2551 0.5870 0.100 Uiso 1 1 calc R . .
H32B H 0.9638 -0.1703 0.6054 0.100 Uiso 1 1 calc R . .
H32C H 0.8849 -0.2065 0.5421 0.100 Uiso 1 1 calc R . .
C33 C 0.6202(4) -0.0899(3) 0.4320(3) 0.0691(14) Uani 1 1 d . . .
H33A H 0.5643 -0.0853 0.3997 0.104 Uiso 1 1 calc R . .
H33B H 0.6144 -0.0895 0.4770 0.104 Uiso 1 1 calc R . .
H33C H 0.6395 -0.1349 0.4198 0.104 Uiso 1 1 calc R . .
C34 C 0.6845(3) -0.0296(3) 0.4312(2) 0.0632(13) Uani 1 1 d . . .
C35 C 0.7592(3) 0.0054(2) 0.4837(2) 0.0562(11) Uani 1 1 d . . .
C36 C 0.7948(3) 0.0586(3) 0.4571(3) 0.0623(12) Uani 1 1 d . . .
C37 C 0.8717(4) 0.1129(3) 0.4885(3) 0.0707(14) Uani 1 1 d . . .
H37A H 0.9242 0.0897 0.4971 0.106 Uiso 1 1 calc R . .
H37B H 0.8679 0.1354 0.5309 0.106 Uiso 1 1 calc R . .
H37C H 0.8734 0.1492 0.4583 0.106 Uiso 1 1 calc R . .
C38 C 0.9322(3) 0.1885(3) 0.6925(2) 0.0651(13) Uani 1 1 d . . .
H38A H 0.9617 0.2360 0.7132 0.098 Uiso 1 1 calc R . .
H38B H 0.8943 0.1918 0.6472 0.098 Uiso 1 1 calc R . .
H38C H 0.9752 0.1568 0.6900 0.098 Uiso 1 1 calc R . .
C39 C 0.8821(3) 0.1607(3) 0.7317(2) 0.0632(13) Uani 1 1 d . . .
C40 C 0.8315(3) 0.0923(3) 0.7247(2) 0.0584(12) Uani 1 1 d . . .
C41 C 0.7953(3) 0.0953(2) 0.7751(3) 0.0609(12) Uani 1 1 d . . .
C42 C 0.7330(4) 0.0372(3) 0.7908(3) 0.0676(13) Uani 1 1 d . . .
H42A H 0.7652 0.0131 0.8281 0.101 Uiso 1 1 calc R . .
H42B H 0.7069 0.0023 0.7511 0.101 Uiso 1 1 calc R . .
H42C H 0.6875 0.0594 0.8031 0.101 Uiso 1 1 calc R . .
C43 C 0.0196(3) 0.3715(3) 0.2472(2) 0.0599(12) Uani 1 1 d . . .
H43 H 0.0363 0.3259 0.2392 0.072 Uiso 1 1 calc R . .
C44 C -0.0459(3) 0.3954(3) 0.1976(3) 0.0599(12) Uani 1 1 d . . .
H44 H -0.0743 0.3662 0.1565 0.072 Uiso 1 1 calc R . .
C45 C -0.0687(4) 0.4627(3) 0.2094(3) 0.0637(13) Uani 1 1 d . . .
H45 H -0.1146 0.4797 0.1773 0.076 Uiso 1 1 calc R . .
C46 C -0.0238(3) 0.5043(3) 0.2684(2) 0.0609(12) Uani 1 1 d . . .
H46 H -0.0362 0.5515 0.2762 0.073 Uiso 1 1 calc R . .
C47 C 0.0399(4) 0.4773(3) 0.3166(3) 0.0651(13) Uani 1 1 d . . .
C48 C 0.0906(3) 0.5181(2) 0.3830(3) 0.0615(12) Uani 1 1 d . . .
C49 C 0.0757(3) 0.5832(3) 0.4069(3) 0.0719(15) Uani 1 1 d . . .
H49 H 0.0313 0.6064 0.3797 0.086 Uiso 1 1 calc R . .
C50 C 0.1243(3) 0.6161(3) 0.4701(2) 0.0611(12) Uani 1 1 d . . .
H50 H 0.1169 0.6626 0.4857 0.073 Uiso 1 1 calc R . .
C51 C 0.1842(3) 0.5778(3) 0.5093(2) 0.0594(12) Uani 1 1 d . . .
H51 H 0.2172 0.5975 0.5536 0.071 Uiso 1 1 calc R . .
C52 C 0.1964(3) 0.5104(3) 0.4844(2) 0.0615(12) Uani 1 1 d . . .
H52 H 0.2384 0.4851 0.5115 0.074 Uiso 1 1 calc R . .
C53 C 0.4418(3) 0.0772(3) 0.2014(2) 0.0634(13) Uani 1 1 d . . .
H53 H 0.4509 0.1140 0.2371 0.076 Uiso 1 1 calc R . .
C54 C 0.3798(3) 0.0805(3) 0.1395(2) 0.0615(12) Uani 1 1 d . . .
H54 H 0.3463 0.1190 0.1332 0.074 Uiso 1 1 calc R . .
C55 C 0.3682(3) 0.0273(3) 0.0879(2) 0.0599(12) Uani 1 1 d . . .
H55 H 0.3254 0.0284 0.0462 0.072 Uiso 1 1 calc R . .
C56 C 0.4180(3) -0.0269(3) 0.0966(2) 0.0568(11) Uani 1 1 d . . .
H56 H 0.4119 -0.0631 0.0610 0.068 Uiso 1 1 calc R . .
C57 C 0.4777(3) -0.0276(3) 0.1590(2) 0.0631(13) Uani 1 1 d . . .
C58 C 0.5390(3) -0.0826(3) 0.1744(3) 0.0598(12) Uani 1 1 d . . .
C59 C 0.5412(3) -0.1377(3) 0.1290(3) 0.0654(13) Uani 1 1 d . . .
H59 H 0.5038 -0.1421 0.0842 0.078 Uiso 1 1 calc R . .
C60 C 0.6002(3) -0.1885(3) 0.1492(3) 0.0648(13) Uani 1 1 d . . .
H60 H 0.6010 -0.2282 0.1191 0.078 Uiso 1 1 calc R . .
C61 C 0.6561(3) -0.1779(3) 0.2141(2) 0.0634(13) Uani 1 1 d . . .
H61 H 0.6949 -0.2112 0.2304 0.076 Uiso 1 1 calc R . .
C62 C 0.6538(3) -0.1172(3) 0.2550(2) 0.0608(12) Uani 1 1 d . . .
H62 H 0.6959 -0.1074 0.2980 0.073 Uiso 1 1 calc R . .
C63 C 0.8877(3) 0.0632(3) 0.3125(3) 0.0633(13) Uani 1 1 d . . .
H63 H 0.8743 0.0294 0.3400 0.076 Uiso 1 1 calc R . .
C64 C 0.9538(3) 0.0567(3) 0.2890(2) 0.0626(12) Uani 1 1 d . . .
H64 H 0.9888 0.0199 0.3015 0.075 Uiso 1 1 calc R . .
C65 C 0.9723(3) 0.1049(3) 0.2450(3) 0.0666(13) Uani 1 1 d . . .
H65 H 1.0192 0.1010 0.2277 0.080 Uiso 1 1 calc R . .
C66 C 0.9183(3) 0.1587(3) 0.2283(2) 0.0611(12) Uani 1 1 d . . .
H66 H 0.9280 0.1917 0.1989 0.073 Uiso 1 1 calc R . .
C67 C 0.8532(3) 0.1629(3) 0.2542(2) 0.0608(12) Uani 1 1 d . . .
C68 C 0.7916(3) 0.2157(3) 0.2390(3) 0.0630(13) Uani 1 1 d . . .
C69 C 0.7881(4) 0.2654(3) 0.1924(3) 0.0644(13) Uani 1 1 d . . .
H69 H 0.8284 0.2666 0.1680 0.077 Uiso 1 1 calc R . .
C70 C 0.7280(3) 0.3119(3) 0.1815(3) 0.0633(13) Uani 1 1 d . . .
H70 H 0.7298 0.3481 0.1532 0.076 Uiso 1 1 calc R . .
C71 C 0.6644(3) 0.3051(3) 0.2124(3) 0.0619(12) Uani 1 1 d . . .
H71 H 0.6181 0.3330 0.2017 0.074 Uiso 1 1 calc R . .
C72 C 0.6693(3) 0.2574(3) 0.2590(3) 0.0639(13) Uani 1 1 d . . .
H72 H 0.6294 0.2561 0.2838 0.077 Uiso 1 1 calc R . .
C73 C 0.8477(3) 0.4524(2) 0.8380(3) 0.0617(12) Uani 1 1 d . . .
H73 H 0.7924 0.4353 0.8072 0.074 Uiso 1 1 calc R . .
C74 C 0.8626(3) 0.5206(3) 0.8702(2) 0.0584(12) Uani 1 1 d . . .
H74 H 0.8174 0.5496 0.8637 0.070 Uiso 1 1 calc R . .
C75 C 0.9473(3) 0.5468(3) 0.9135(3) 0.0637(13) Uani 1 1 d . . .
H75 H 0.9605 0.5948 0.9338 0.076 Uiso 1 1 calc R . .
C76 C 1.0113(3) 0.5005(3) 0.9257(2) 0.0610(12) Uani 1 1 d . . .
H76 H 1.0678 0.5165 0.9553 0.073 Uiso 1 1 calc R . .
C77 C 0.9904(3) 0.4300(3) 0.8934(3) 0.0651(13) Uani 1 1 d . . .
C78 C 1.0502(3) 0.3774(3) 0.9018(3) 0.0656(14) Uani 1 1 d . . .
C79 C 1.1379(3) 0.3902(3) 0.9418(3) 0.0642(13) Uani 1 1 d . . .
H79 H 1.1623 0.4356 0.9660 0.077 Uiso 1 1 calc R . .
C80 C 1.1878(3) 0.3336(3) 0.9445(2) 0.0629(13) Uani 1 1 d . . .
H80 H 1.2472 0.3407 0.9703 0.075 Uiso 1 1 calc R . .
C81 C 1.1518(3) 0.2696(3) 0.9109(3) 0.0666(14) Uani 1 1 d . . .
H81 H 1.1849 0.2308 0.9147 0.080 Uiso 1 1 calc R . .
C82 C 1.0682(3) 0.2601(3) 0.8714(3) 0.0680(14) Uani 1 1 d . . .
H82 H 1.0448 0.2149 0.8464 0.082 Uiso 1 1 calc R . .
C83 C 0.8576(3) 0.1104(2) 0.9558(2) 0.0569(11) Uani 1 1 d . . .
H83 H 0.8850 0.1032 0.9223 0.068 Uiso 1 1 calc R . .
C84 C 0.8797(3) 0.0734(3) 1.0119(3) 0.0609(12) Uani 1 1 d . . .
H84 H 0.9241 0.0435 1.0183 0.073 Uiso 1 1 calc R . .
C85 C 0.8344(3) 0.0815(3) 1.0592(2) 0.0587(12) Uani 1 1 d . . .
H85 H 0.8457 0.0547 1.0964 0.070 Uiso 1 1 calc R . .
C86 C 0.7734(3) 0.1286(3) 1.0510(2) 0.0617(12) Uani 1 1 d . . .
H86 H 0.7436 0.1355 1.0829 0.074 Uiso 1 1 calc R . .
C87 C 0.7562(3) 0.1666(3) 0.9936(2) 0.0552(11) Uani 1 1 d . . .
C88 C 0.6930(3) 0.2186(3) 0.9804(2) 0.0553(11) Uani 1 1 d . . .
C89 C 0.6416(3) 0.2364(3) 1.0205(2) 0.0620(12) Uani 1 1 d . . .
H89 H 0.6410 0.2118 1.0579 0.074 Uiso 1 1 calc R . .
C90 C 0.5948(3) 0.2877(3) 1.0048(3) 0.0605(12) Uani 1 1 d . . .
H90 H 0.5644 0.3027 1.0344 0.073 Uiso 1 1 calc R . .
C91 C 0.5858(3) 0.3232(3) 0.9464(3) 0.0593(12) Uani 1 1 d . . .
H91 H 0.5484 0.3586 0.9348 0.071 Uiso 1 1 calc R . .
C92 C 0.6361(3) 0.3017(3) 0.9085(3) 0.0580(11) Uani 1 1 d . . .
H92 H 0.6344 0.3247 0.8698 0.070 Uiso 1 1 calc R . .
N1 N 0.2464(3) 0.3589(2) 0.46185(18) 0.0579(10) Uani 1 1 d . . .
N2 N 0.2261(3) 0.3313(2) 0.5145(2) 0.0621(10) Uani 1 1 d . . .
N3 N 0.5695(3) 0.1012(2) 0.3510(2) 0.0641(11) Uani 1 1 d . . .
N4 N 0.6378(2) 0.1534(2) 0.36412(18) 0.0523(9) Uani 1 1 d . . .
N5 N 0.7635(3) 0.2976(2) 0.7628(2) 0.0592(10) Uani 1 1 d . . .
N6 N 0.7075(3) 0.2589(2) 0.7864(2) 0.0594(10) Uani 1 1 d . . .
N7 N 0.7988(3) -0.2694(2) 0.6980(2) 0.0652(11) Uani 1 1 d . . .
N8 N 0.8484(3) -0.2810(2) 0.6575(2) 0.0691(12) Uani 1 1 d . . .
N9 N 0.6831(3) 0.0033(2) 0.3765(2) 0.0623(10) Uani 1 1 d . . .
N10 N 0.7490(3) 0.0573(2) 0.3926(2) 0.0601(10) Uani 1 1 d . . .
N11 N 0.8720(2) 0.1986(2) 0.7864(2) 0.0596(10) Uani 1 1 d . . .
N12 N 0.8189(2) 0.1579(2) 0.81152(18) 0.0522(9) Uani 1 1 d . . .
N13 N 0.0591(3) 0.4110(2) 0.3053(2) 0.0599(10) Uani 1 1 d . . .
N14 N 0.1487(3) 0.4809(2) 0.4218(2) 0.0601(10) Uani 1 1 d . . .
N15 N 0.4874(3) 0.0235(2) 0.2105(2) 0.0607(10) Uani 1 1 d . . .
N16 N 0.5972(3) -0.0730(2) 0.2377(2) 0.0641(11) Uani 1 1 d . . .
N17 N 0.8384(2) 0.1176(2) 0.2978(2) 0.0575(10) Uani 1 1 d . . .
N18 N 0.7301(3) 0.2122(2) 0.2700(2) 0.0593(10) Uani 1 1 d . . .
N19 N 0.9107(3) 0.4086(2) 0.8494(2) 0.0641(11) Uani 1 1 d . . .
N20 N 1.0185(3) 0.3106(2) 0.8664(2) 0.0610(10) Uani 1 1 d . . .
N21 N 0.7980(3) 0.1565(2) 0.9481(2) 0.0587(10) Uani 1 1 d . . .
N22 N 0.6868(2) 0.25091(19) 0.92246(18) 0.0512(9) Uani 1 1 d . . .
N23 N 0.8528(3) 0.6632(2) 0.2576(2) 0.0606(10) Uani 1 1 d . . .
N24 N 0.0212(3) 0.2352(2) 0.1017(2) 0.0623(10) Uani 1 1 d . . .
N25 N 0.6737(3) 0.0298(2) 0.1297(2) 0.0645(11) Uani 1 1 d . . .
N26 N 0.9040(3) 0.3552(2) 0.3830(2) 0.0654(11) Uani 1 1 d . . .
O1 O 0.8189(2) 0.60381(18) 0.22423(16) 0.0610(8) Uani 1 1 d . . .
O2 O 0.8101(2) 0.71444(19) 0.25448(17) 0.0672(9) Uani 1 1 d . . .
O3 O 0.9276(2) 0.67275(19) 0.29644(18) 0.0667(9) Uani 1 1 d . . .
O4 O -0.0505(2) 0.25492(18) 0.09877(16) 0.0651(9) Uani 1 1 d . . .
O5 O 0.0596(2) 0.20622(19) 0.15068(18) 0.0682(9) Uani 1 1 d . . .
O6 O 0.0584(2) 0.25438(18) 0.06145(18) 0.0652(9) Uani 1 1 d . . .
O7 O 0.6499(2) 0.08862(19) 0.14190(18) 0.0700(9) Uani 1 1 d . . .
O8 O 0.6381(2) -0.00595(18) 0.07415(17) 0.0629(8) Uani 1 1 d . . .
O9 O 0.7312(2) 0.00558(18) 0.17349(17) 0.0657(9) Uani 1 1 d . . .
O10 O 0.9656(2) 0.40006(18) 0.41595(17) 0.0637(9) Uani 1 1 d . . .
O11 O 0.8438(2) 0.37287(17) 0.33823(17) 0.0619(8) Uani 1 1 d . . .
O12 O 0.9010(2) 0.29208(17) 0.39598(16) 0.0617(8) Uani 1 1 d . . .
O1W O 0.0176(7) 0.0596(6) 0.8897(5) 0.059(3) Uani 0.30 1 d P . .
H1X H 0.0468 0.0742 0.8650 0.071 Uiso 0.30 1 d PR . .
H1Y H -0.0304 0.0370 0.8652 0.071 Uiso 0.30 1 d PR . .
O2W O 0.9734(6) 0.7533(5) 0.4213(5) 0.054(2) Uani 0.30 1 d P . .
H2X H 0.9398 0.7290 0.4376 0.065 Uiso 0.30 1 d PR . .
H2Y H 0.9953 0.7919 0.4469 0.065 Uiso 0.30 1 d PR . .
O3W O 0.8436(6) 0.5228(5) 0.3628(5) 0.049(2) Uani 0.30 1 d P . .
H3X H 0.8681 0.5655 0.3739 0.059 Uiso 0.30 1 d PR . .
H3Y H 0.8598 0.4990 0.3958 0.059 Uiso 0.30 1 d PR . .
O4W O 0.1234(7) 0.1211(6) 0.0176(5) 0.062(3) Uani 0.30 1 d P . .
H4X H 0.1295 0.0776 0.0216 0.074 Uiso 0.30 1 d PR . .
H4Y H 0.1113 0.1277 -0.0234 0.074 Uiso 0.30 1 d PR . .
O5W O 0.4116(8) 0.2033(6) 0.0299(5) 0.066(3) Uani 0.30 1 d P . .
H5X H 0.3601 0.1885 0.0279 0.079 Uiso 0.30 1 d PR . .
H5Y H 0.4178 0.2484 0.0312 0.079 Uiso 0.30 1 d PR . .
O6W O 0.2387(6) 0.3324(5) 0.1123(5) 0.055(3) Uani 0.30 1 d P . .
H6X H 0.2713 0.3085 0.0970 0.066 Uiso 0.30 1 d PR . .
H6Y H 0.1938 0.3371 0.0806 0.066 Uiso 0.30 1 d PR . .
O7W O 0.0959(7) 0.1230(6) 0.5599(5) 0.063(3) Uani 0.30 1 d P . .
H7X H 0.0632 0.1489 0.5730 0.076 Uiso 0.30 1 d PR . .
H7Y H 0.0709 0.0803 0.5491 0.076 Uiso 0.30 1 d PR . .
O8W O 0.4426(8) 0.3620(5) 0.7514(5) 0.062(3) Uani 0.30 1 d P . .
H8X H 0.3998 0.3325 0.7276 0.075 Uiso 0.30 1 d PR . .
H8Y H 0.4879 0.3527 0.7423 0.075 Uiso 0.30 1 d PR . .
O9W O 0.7397(7) 0.8703(6) 0.0224(6) 0.067(3) Uani 0.30 1 d P . .
H9X H 0.7828 0.9021 0.0400 0.081 Uiso 0.30 1 d PR . .
H9Y H 0.7521 0.8404 -0.0044 0.081 Uiso 0.30 1 d PR . .
O11W O 0.4292(6) 0.5154(6) 0.5721(5) 0.056(3) Uani 0.30 1 d P . .
H11X H 0.3900 0.5002 0.5882 0.084 Uiso 0.30 1 d PR . .
H11Y H 0.4282 0.5597 0.5687 0.084 Uiso 0.30 1 d PR . .
O12W O 0.4003(6) 0.2856(6) 0.1364(6) 0.056(3) Uani 0.30 1 d P . .
H12X H 0.4029 0.3057 0.1746 0.067 Uiso 0.30 1 d PR . .
H12Y H 0.4046 0.2415 0.1387 0.067 Uiso 0.30 1 d PR . .
O13W O 0.8782(6) 0.8463(6) 0.2444(5) 0.058(3) Uani 0.30 1 d P . .
H13X H 0.8448 0.8073 0.2368 0.069 Uiso 0.30 1 d PR . .
H13Y H 0.8506 0.8808 0.2498 0.069 Uiso 0.30 1 d PR . .
O14W O 0.4099(7) 0.4564(6) 0.9595(6) 0.070(3) Uani 0.30 1 d P . .
H14X H 0.4295 0.4727 0.9297 0.084 Uiso 0.30 1 d PR . .
H14Y H 0.4289 0.4849 0.9954 0.084 Uiso 0.30 1 d PR . .
O15W O 0.5438(7) 0.4624(6) 0.6170(6) 0.067(3) Uani 0.30 1 d P . .
H15X H 0.5300 0.4618 0.6528 0.080 Uiso 0.30 1 d PR . .
H15Y H 0.5978 0.4749 0.6268 0.080 Uiso 0.30 1 d PR . .
O16W O 0.7037(6) 0.4928(6) 0.2844(5) 0.054(2) Uani 0.30 1 d P . .
H16X H 0.6782 0.4715 0.3086 0.065 Uiso 0.30 1 d PR . .
H16Y H 0.7101 0.5375 0.2956 0.065 Uiso 0.30 1 d PR . .
O17W O 0.5533(6) 0.4572(3) 0.2035(4) 0.038(2) Uani 0.30 1 d P . .
H17X H 0.5548 0.4568 0.1635 0.046 Uiso 0.30 1 d PR . .
H17Y H 0.5206 0.4871 0.2105 0.046 Uiso 0.30 1 d PR . .
O18W O 0.6251(6) 0.4758(6) 0.8588(5) 0.059(3) Uani 0.30 1 d P . .
H18X H 0.6590 0.4467 0.8765 0.071 Uiso 0.30 1 d PR . .
H18Y H 0.6452 0.5177 0.8783 0.071 Uiso 0.30 1 d PR . .
O19W O 0.7092(7) 0.5179(7) 0.6743(5) 0.069(3) Uani 0.30 1 d P . .
H19X H 0.7199 0.5539 0.7036 0.082 Uiso 0.30 1 d PR . .
H19Y H 0.7615 0.5168 0.6759 0.082 Uiso 0.30 1 d PR . .
O20W O 0.4850(6) 0.6721(6) 0.6805(5) 0.056(3) Uani 0.30 1 d P . .
H20X H 0.5239 0.6458 0.6794 0.067 Uiso 0.30 1 d PR . .
H20Y H 0.5016 0.6999 0.7169 0.067 Uiso 0.30 1 d PR . .
O10W O 0.2016(7) 0.6241(6) 0.9411(5) 0.059(3) Uani 0.30 1 d P . .
H10X H 0.1891 0.5792 0.9313 0.071 Uiso 0.30 1 d PR . .
H10Y H 0.2451 0.6332 0.9762 0.071 Uiso 0.30 1 d PR . .
Pd1 Pd 0.15213(2) 0.381560(18) 0.383070(18) 0.05141(9) Uani 1 1 d . . .
Pd2 Pd 0.58298(2) 0.012975(18) 0.295252(17) 0.05188(9) Uani 1 1 d . . .
Pd3 Pd 0.73828(2) 0.134856(18) 0.331791(17) 0.04966(9) Uani 1 1 d . . .
Pd4 Pd 0.89119(2) 0.303688(19) 0.814080(17) 0.05196(9) Uani 1 1 d . . .
Pd5 Pd 0.75531(2) 0.208496(17) 0.867062(16) 0.04496(8) Uani 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
C1 C2 1.407(7) . ?
C1 C6 1.409(7) . ?
C1 C9 1.457(7) . ?
C2 C3 1.414(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.411(7) . ?
C3 C14 1.465(7) . ?
C4 C5 1.384(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.375(7) . ?
C5 C19 1.473(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.496(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 N1 1.362(5) . ?
C8 C9 1.424(7) . ?
C9 C10 1.436(7) . ?
C10 N2 1.383(5) . ?
C10 C11 1.455(7) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.493(7) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 N3 1.329(5) . ?
C13 C14 1.409(7) . ?
C14 C15 1.391(7) . ?
C15 N4 1.359(5) . ?
C15 C16 1.466(7) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.492(7) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 N5 1.355(5) . ?
C18 C19 1.401(7) . ?
C19 C20 1.446(7) . ?
C20 N6 1.328(5) . ?
C20 C21 1.481(7) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.365(7) . ?
C22 C27 1.399(7) . ?
C22 C30 1.494(7) . ?
C23 C24 1.377(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.399(7) . ?
C24 C35 1.504(7) . ?
C25 C26 1.427(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.395(7) . ?
C26 C40 1.468(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.511(7) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 N7 1.356(5) . ?
C29 C30 1.387(7) . ?
C30 C31 1.414(7) . ?
C31 N8 1.378(6) . ?
C31 C32 1.496(8) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.482(7) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 N9 1.348(5) . ?
C34 C35 1.438(6) . ?
C35 C36 1.357(7) . ?
C36 N10 1.339(5) . ?
C36 C37 1.489(7) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.422(7) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 N11 1.369(5) . ?
C39 C40 1.442(7) . ?
C40 C41 1.361(7) . ?
C41 N12 1.316(5) . ?
C41 C42 1.551(7) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 N13 1.327(5) . ?
C43 C44 1.395(7) . ?
C43 H43 0.9500 . ?
C44 C45 1.391(7) . ?
C44 H44 0.9500 . ?
C45 C46 1.374(7) . ?
C45 H45 0.9500 . ?
C46 C47 1.391(7) . ?
C46 H46 0.9500 . ?
C47 N13 1.347(5) . ?
C47 C48 1.500(7) . ?
C48 N14 1.352(5) . ?
C48 C49 1.369(7) . ?
C49 C50 1.389(7) . ?
C49 H49 0.9500 . ?
C50 C51 1.387(6) . ?
C50 H50 0.9500 . ?
C51 C52 1.398(6) . ?
C51 H51 0.9500 . ?
C52 N14 1.357(5) . ?
C52 H52 0.9500 . ?
C53 N15 1.314(5) . ?
C53 C54 1.404(7) . ?
C53 H53 0.9500 . ?
C54 C55 1.377(7) . ?
C54 H54 0.9500 . ?
C55 C56 1.366(6) . ?
C55 H55 0.9500 . ?
C56 C57 1.384(7) . ?
C56 H56 0.9500 . ?
C57 N15 1.358(5) . ?
C57 C58 1.506(7) . ?
C58 C59 1.369(7) . ?
C58 N16 1.373(5) . ?
C59 C60 1.431(7) . ?
C59 H59 0.9500 . ?
C60 C61 1.385(7) . ?
C60 H60 0.9500 . ?
C61 C62 1.393(7) . ?
C61 H61 0.9500 . ?
C62 N16 1.301(5) . ?
C62 H62 0.9500 . ?
C63 C64 1.331(7) . ?
C63 N17 1.370(5) . ?
C63 H63 0.9500 . ?
C64 C65 1.427(7) . ?
C64 H64 0.9500 . ?
C65 C66 1.414(7) . ?
C65 H65 0.9500 . ?
C66 C67 1.340(7) . ?
C66 H66 0.9500 . ?
C67 N17 1.365(5) . ?
C67 C68 1.477(7) . ?
C68 N18 1.353(5) . ?
C68 C69 1.407(7) . ?
C69 C70 1.367(7) . ?
C69 H69 0.9500 . ?
C70 C71 1.385(7) . ?
C70 H70 0.9500 . ?
C71 C72 1.379(7) . ?
C71 H71 0.9500 . ?
C72 N18 1.358(5) . ?
C72 H72 0.9500 . ?
C73 N19 1.365(5) . ?
C73 C74 1.375(6) . ?
C73 H73 0.9500 . ?
C74 C75 1.426(7) . ?
C74 H74 0.9500 . ?
C75 C76 1.413(7) . ?
C75 H75 0.9500 . ?
C76 C77 1.411(7) . ?
C76 H76 0.9500 . ?
C77 N19 1.355(5) . ?
C77 C78 1.451(7) . ?
C78 N20 1.385(5) . ?
C78 C79 1.415(7) . ?
C79 C80 1.407(7) . ?
C79 H79 0.9500 . ?
C80 C81 1.338(5) . ?
C80 H80 0.9500 . ?
C81 C82 1.358(7) . ?
C81 H81 0.9500 . ?
C82 N20 1.308(6) . ?
C82 H82 0.9500 . ?
C83 N21 1.357(6) . ?
C83 C84 1.397(6) . ?
C83 H83 0.9500 . ?
C84 C85 1.417(7) . ?
C84 H84 0.9500 . ?
C85 C86 1.387(7) . ?
C85 H85 0.9500 . ?
C86 C87 1.426(7) . ?
C86 H86 0.9500 . ?
C87 N21 1.346(6) . ?
C87 C88 1.482(6) . ?
C88 N22 1.392(6) . ?
C88 C89 1.404(7) . ?
C89 C90 1.301(7) . ?
C89 H89 0.9500 . ?
C90 C91 1.425(7) . ?
C90 H90 0.9500 . ?
C91 C92 1.375(7) . ?
C91 H91 0.9500 . ?
C92 N22 1.328(6) . ?
C92 H92 0.9500 . ?
N1 N2 1.378(6) . ?
N1 Pd1 2.008(4) . ?
N3 N4 1.365(5) . ?
N3 Pd2 2.035(4) . ?
N4 Pd3 2.010(4) . ?
N5 N6 1.351(6) . ?
N5 Pd4 2.032(4) . ?
N6 Pd5 2.007(4) . ?
N7 N8 1.361(6) . ?
N8 Pd1 2.025(4) 2_656 ?
N9 N10 1.355(6) . ?
N9 Pd2 2.020(4) . ?
N10 Pd3 2.014(4) . ?
N11 N12 1.357(5) . ?
N11 Pd4 2.000(4) . ?
N12 Pd5 2.030(4) . ?
N13 Pd1 2.033(4) . ?
N14 Pd1 2.005(4) . ?
N15 Pd2 2.029(4) . ?
N16 Pd2 2.028(4) . ?
N17 Pd3 2.019(4) . ?
N18 Pd3 2.026(4) . ?
N19 Pd4 2.028(4) . ?
N20 Pd4 2.030(4) . ?
N21 Pd5 2.017(4) . ?
N22 Pd5 2.019(4) . ?
N23 O3 1.238(5) . ?
N23 O2 1.246(5) . ?
N23 O1 1.261(5) . ?
N24 O5 1.239(5) . ?
N24 O6 1.240(5) . ?
N24 O4 1.251(5) . ?
N25 O8 1.247(5) . ?
N25 O7 1.250(5) . ?
N25 O9 1.257(5) . ?
N26 O11 1.237(5) . ?
N26 O10 1.241(5) . ?
N26 O12 1.250(5) . ?
O1W H1X 0.8501 . ?
O1W H1Y 0.8500 . ?
O2W H2X 0.8500 . ?
O2W H2Y 0.8501 . ?
O3W H3X 0.8499 . ?
O3W H3Y 0.8500 . ?
O4W H4X 0.8500 . ?
O4W H4Y 0.8500 . ?
O5W H5X 0.8500 . ?
O5W H5Y 0.8500 . ?
O6W H6X 0.8500 . ?
O6W H6Y 0.8500 . ?
O7W H7X 0.8500 . ?
O7W H7Y 0.8501 . ?
O8W H8X 0.8500 . ?
O8W H8Y 0.8500 . ?
O9W H9X 0.8500 . ?
O9W H9Y 0.8501 . ?
O11W H11X 0.8500 . ?
O11W H11Y 0.8500 . ?
O12W H12X 0.8499 . ?
O12W H12Y 0.8500 . ?
O13W H13X 0.8500 . ?
O13W H13Y 0.8500 . ?
O14W H14X 0.8500 . ?
O14W H14Y 0.8501 . ?
O15W H15X 0.8499 . ?
O15W H15Y 0.8500 . ?
O16W H16X 0.8501 . ?
O16W H16Y 0.8500 . ?
O17W H17X 0.8500 . ?
O17W H17Y 0.8501 . ?
O18W H18X 0.8500 . ?
O18W H18Y 0.8501 . ?
O19W H19X 0.8501 . ?
O19W H19Y 0.8500 . ?
O20W H20X 0.8499 . ?
O20W H20Y 0.8500 . ?
O10W H10X 0.8500 . ?
O10W H10Y 0.8501 . ?
Pd1 N8 2.025(4) 2_656 ?
Pd2 Pd3 3.1276(12) . ?
Pd4 Pd5 3.2361(12) . ?

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
C2 C1 C6 117.5(5) . . ?
C2 C1 C9 118.3(5) . . ?
C6 C1 C9 124.0(5) . . ?
C1 C2 C3 122.4(5) . . ?
C1 C2 H2 118.8 . . ?
C3 C2 H2 118.8 . . ?
C4 C3 C2 115.9(5) . . ?
C4 C3 C14 120.9(5) . . ?
C2 C3 C14 123.2(5) . . ?
C5 C4 C3 123.5(5) . . ?
C5 C4 H4 118.3 . . ?
C3 C4 H4 118.3 . . ?
C6 C5 C4 118.4(5) . . ?
C6 C5 C19 121.2(5) . . ?
C4 C5 C19 120.4(5) . . ?
C5 C6 C1 122.3(5) . . ?
C5 C6 H6 118.9 . . ?
C1 C6 H6 118.9 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 C9 109.6(4) . . ?
N1 C8 C7 121.0(4) . . ?
C9 C8 C7 128.8(5) . . ?
C8 C9 C10 105.9(4) . . ?
C8 C9 C1 125.5(5) . . ?
C10 C9 C1 128.6(5) . . ?
N2 C10 C9 106.0(4) . . ?
N2 C10 C11 121.6(5) . . ?
C9 C10 C11 132.4(5) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C13 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 C14 107.2(4) . . ?
N3 C13 C12 122.3(4) . . ?
C14 C13 C12 130.5(5) . . ?
C15 C14 C13 106.1(5) . . ?
C15 C14 C3 124.5(5) . . ?
C13 C14 C3 129.4(5) . . ?
N4 C15 C14 108.6(4) . . ?
N4 C15 C16 121.2(4) . . ?
C14 C15 C16 130.0(5) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N5 C18 C19 107.3(4) . . ?
N5 C18 C17 121.9(4) . . ?
C19 C18 C17 130.6(5) . . ?
C18 C19 C20 104.8(4) . . ?
C18 C19 C5 127.3(5) . . ?
C20 C19 C5 127.8(5) . . ?
N6 C20 C19 108.5(4) . . ?
N6 C20 C21 124.5(4) . . ?
C19 C20 C21 126.7(4) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C27 120.2(5) . . ?
C23 C22 C30 120.3(5) . . ?
C27 C22 C30 119.3(5) . . ?
C22 C23 C24 122.0(5) . . ?
C22 C23 H23 119.0 . . ?
C24 C23 H23 119.0 . . ?
C23 C24 C25 119.0(5) . . ?
C23 C24 C35 125.3(5) . . ?
C25 C24 C35 115.7(4) . . ?
C24 C25 C26 120.1(5) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C27 C26 C25 118.7(5) . . ?
C27 C26 C40 121.3(5) . . ?
C25 C26 C40 119.8(5) . . ?
C26 C27 C22 119.9(5) . . ?
C26 C27 H27 120.0 . . ?
C22 C27 H27 120.0 . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C29 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N7 C29 C30 108.2(4) . . ?
N7 C29 C28 119.5(4) . . ?
C30 C29 C28 132.3(5) . . ?
C29 C30 C31 106.7(5) . . ?
C29 C30 C22 127.5(5) . . ?
C31 C30 C22 125.8(5) . . ?
N8 C31 C30 107.4(5) . . ?
N8 C31 C32 121.5(4) . . ?
C30 C31 C32 131.1(5) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C34 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N9 C34 C35 105.8(4) . . ?
N9 C34 C33 124.0(4) . . ?
C35 C34 C33 130.2(5) . . ?
C36 C35 C34 106.5(4) . . ?
C36 C35 C24 129.4(4) . . ?
C34 C35 C24 123.9(4) . . ?
N10 C36 C35 109.2(4) . . ?
N10 C36 C37 120.5(4) . . ?
C35 C36 C37 130.3(5) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 H38A 109.5 . . ?
C39 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C39 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N11 C39 C38 123.8(4) . . ?
N11 C39 C40 105.2(4) . . ?
C38 C39 C40 130.9(5) . . ?
C41 C40 C39 105.9(4) . . ?
C41 C40 C26 128.1(5) . . ?
C39 C40 C26 126.0(5) . . ?
N12 C41 C40 110.6(4) . . ?
N12 C41 C42 121.1(4) . . ?
C40 C41 C42 128.3(5) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N13 C43 C44 121.6(4) . . ?
N13 C43 H43 119.2 . . ?
C44 C43 H43 119.2 . . ?
C45 C44 C43 118.7(5) . . ?
C45 C44 H44 120.7 . . ?
C43 C44 H44 120.7 . . ?
C46 C45 C44 118.8(5) . . ?
C46 C45 H45 120.6 . . ?
C44 C45 H45 120.6 . . ?
C45 C46 C47 120.0(5) . . ?
C45 C46 H46 120.0 . . ?
C47 C46 H46 120.0 . . ?
N13 C47 C46 120.4(4) . . ?
N13 C47 C48 115.9(4) . . ?
C46 C47 C48 123.7(5) . . ?
N14 C48 C49 121.4(4) . . ?
N14 C48 C47 113.2(4) . . ?
C49 C48 C47 125.1(5) . . ?
C48 C49 C50 121.1(5) . . ?
C48 C49 H49 119.4 . . ?
C50 C49 H49 119.4 . . ?
C51 C50 C49 117.0(5) . . ?
C51 C50 H50 121.5 . . ?
C49 C50 H50 121.5 . . ?
C50 C51 C52 120.6(5) . . ?
C50 C51 H51 119.7 . . ?
C52 C51 H51 119.7 . . ?
N14 C52 C51 120.5(4) . . ?
N14 C52 H52 119.8 . . ?
C51 C52 H52 119.8 . . ?
N15 C53 C54 120.6(4) . . ?
N15 C53 H53 119.7 . . ?
C54 C53 H53 119.7 . . ?
C55 C54 C53 119.1(5) . . ?
C55 C54 H54 120.5 . . ?
C53 C54 H54 120.5 . . ?
C56 C55 C54 120.3(5) . . ?
C56 C55 H55 119.9 . . ?
C54 C55 H55 119.9 . . ?
C55 C56 C57 117.9(5) . . ?
C55 C56 H56 121.0 . . ?
C57 C56 H56 121.0 . . ?
N15 C57 C56 121.9(4) . . ?
N15 C57 C58 114.7(4) . . ?
C56 C57 C58 123.3(5) . . ?
C59 C58 N16 120.3(4) . . ?
C59 C58 C57 124.0(5) . . ?
N16 C58 C57 115.6(4) . . ?
C58 C59 C60 119.7(5) . . ?
C58 C59 H59 120.1 . . ?
C60 C59 H59 120.1 . . ?
C61 C60 C59 117.9(5) . . ?
C61 C60 H60 121.1 . . ?
C59 C60 H60 121.1 . . ?
C60 C61 C62 118.2(5) . . ?
C60 C61 H61 120.9 . . ?
C62 C61 H61 120.9 . . ?
N16 C62 C61 123.7(4) . . ?
N16 C62 H62 118.2 . . ?
C61 C62 H62 118.2 . . ?
C64 C63 N17 121.3(5) . . ?
C64 C63 H63 119.3 . . ?
N17 C63 H63 119.3 . . ?
C63 C64 C65 120.2(5) . . ?
C63 C64 H64 119.9 . . ?
C65 C64 H64 119.9 . . ?
C66 C65 C64 117.4(5) . . ?
C66 C65 H65 121.3 . . ?
C64 C65 H65 121.3 . . ?
C67 C66 C65 119.6(5) . . ?
C67 C66 H66 120.2 . . ?
C65 C66 H66 120.2 . . ?
C66 C67 N17 121.9(5) . . ?
C66 C67 C68 124.2(5) . . ?
N17 C67 C68 113.9(4) . . ?
N18 C68 C69 118.0(4) . . ?
N18 C68 C67 116.0(4) . . ?
C69 C68 C67 125.9(5) . . ?
C70 C69 C68 121.5(5) . . ?
C70 C69 H69 119.3 . . ?
C68 C69 H69 119.3 . . ?
C69 C70 C71 118.7(5) . . ?
C69 C70 H70 120.6 . . ?
C71 C70 H70 120.6 . . ?
C72 C71 C70 119.1(5) . . ?
C72 C71 H71 120.4 . . ?
C70 C71 H71 120.4 . . ?
N18 C72 C71 121.1(5) . . ?
N18 C72 H72 119.5 . . ?
C71 C72 H72 119.5 . . ?
N19 C73 C74 121.5(4) . . ?
N19 C73 H73 119.3 . . ?
C74 C73 H73 119.3 . . ?
C73 C74 C75 118.7(5) . . ?
C73 C74 H74 120.7 . . ?
C75 C74 H74 120.7 . . ?
C76 C75 C74 119.1(5) . . ?
C76 C75 H75 120.5 . . ?
C74 C75 H75 120.5 . . ?
C77 C76 C75 119.1(5) . . ?
C77 C76 H76 120.4 . . ?
C75 C76 H76 120.4 . . ?
N19 C77 C76 119.9(4) . . ?
N19 C77 C78 115.7(4) . . ?
C76 C77 C78 124.4(5) . . ?
N20 C78 C79 118.5(4) . . ?
N20 C78 C77 116.7(4) . . ?
C79 C78 C77 124.8(5) . . ?
C80 C79 C78 118.0(5) . . ?
C80 C79 H79 121.0 . . ?
C78 C79 H79 121.0 . . ?
C81 C80 C79 120.1(4) . . ?
C81 C80 H80 120.0 . . ?
C79 C80 H80 120.0 . . ?
C80 C81 C82 120.1(4) . . ?
C80 C81 H81 120.0 . . ?
C82 C81 H81 120.0 . . ?
N20 C82 C81 122.7(5) . . ?
N20 C82 H82 118.6 . . ?
C81 C82 H82 118.6 . . ?
N21 C83 C84 121.4(5) . . ?
N21 C83 H83 119.3 . . ?
C84 C83 H83 119.3 . . ?
C83 C84 C85 118.4(5) . . ?
C83 C84 H84 120.8 . . ?
C85 C84 H84 120.8 . . ?
C86 C85 C84 119.7(5) . . ?
C86 C85 H85 120.1 . . ?
C84 C85 H85 120.1 . . ?
C85 C86 C87 118.7(5) . . ?
C85 C86 H86 120.6 . . ?
C87 C86 H86 120.6 . . ?
N21 C87 C86 120.7(4) . . ?
N21 C87 C88 116.3(4) . . ?
C86 C87 C88 123.0(4) . . ?
N22 C88 C89 119.9(4) . . ?
N22 C88 C87 114.2(4) . . ?
C89 C88 C87 125.9(5) . . ?
C90 C89 C88 117.9(5) . . ?
C90 C89 H89 121.1 . . ?
C88 C89 H89 121.1 . . ?
C89 C90 C91 124.8(5) . . ?
C89 C90 H90 117.6 . . ?
C91 C90 H90 117.6 . . ?
C92 C91 C90 114.0(5) . . ?
C92 C91 H91 123.0 . . ?
C90 C91 H91 123.0 . . ?
N22 C92 C91 124.3(5) . . ?
N22 C92 H92 117.9 . . ?
C91 C92 H92 117.9 . . ?
C8 N1 N2 107.4(3) . . ?
C8 N1 Pd1 127.4(2) . . ?
N2 N1 Pd1 120.0(3) . . ?
N1 N2 C10 111.0(3) . . ?
C13 N3 N4 110.9(3) . . ?
C13 N3 Pd2 132.7(3) . . ?
N4 N3 Pd2 112.7(3) . . ?
C15 N4 N3 107.0(3) . . ?
C15 N4 Pd3 128.7(2) . . ?
N3 N4 Pd3 119.0(3) . . ?
N6 N5 C18 110.7(3) . . ?
N6 N5 Pd4 117.2(3) . . ?
C18 N5 Pd4 127.0(3) . . ?
C20 N6 N5 108.5(3) . . ?
C20 N6 Pd5 128.5(3) . . ?
N5 N6 Pd5 118.4(3) . . ?
C29 N7 N8 109.8(4) . . ?
N7 N8 C31 108.0(3) . . ?
N7 N8 Pd1 119.4(3) . 2_656 ?
C31 N8 Pd1 127.3(3) . 2_656 ?
C34 N9 N10 109.6(3) . . ?
C34 N9 Pd2 130.0(3) . . ?
N10 N9 Pd2 115.0(3) . . ?
C36 N10 N9 108.9(3) . . ?
C36 N10 Pd3 130.4(3) . . ?
N9 N10 Pd3 117.1(3) . . ?
N12 N11 C39 109.4(3) . . ?
N12 N11 Pd4 117.5(3) . . ?
C39 N11 Pd4 130.1(3) . . ?
C41 N12 N11 108.9(3) . . ?
C41 N12 Pd5 128.3(3) . . ?
N11 N12 Pd5 117.9(3) . . ?
C43 N13 C47 120.3(3) . . ?
C43 N13 Pd1 125.8(3) . . ?
C47 N13 Pd1 113.9(2) . . ?
C48 N14 C52 119.3(3) . . ?
C48 N14 Pd1 116.1(2) . . ?
C52 N14 Pd1 124.5(3) . . ?
C53 N15 C57 120.1(3) . . ?
C53 N15 Pd2 125.4(3) . . ?
C57 N15 Pd2 114.3(2) . . ?
C62 N16 C58 119.9(3) . . ?
C62 N16 Pd2 126.9(3) . . ?
C58 N16 Pd2 113.2(2) . . ?
C67 N17 C63 119.5(3) . . ?
C67 N17 Pd3 115.1(2) . . ?
C63 N17 Pd3 125.4(3) . . ?
C68 N18 C72 121.1(3) . . ?
C68 N18 Pd3 114.1(2) . . ?
C72 N18 Pd3 124.7(3) . . ?
C77 N19 C73 121.6(3) . . ?
C77 N19 Pd4 113.5(2) . . ?
C73 N19 Pd4 124.4(3) . . ?
C82 N20 C78 120.4(4) . . ?
C82 N20 Pd4 127.7(4) . . ?
C78 N20 Pd4 111.8(2) . . ?
C87 N21 C83 120.9(4) . . ?
C87 N21 Pd5 113.7(3) . . ?
C83 N21 Pd5 125.2(3) . . ?
C92 N22 C88 118.8(4) . . ?
C92 N22 Pd5 128.2(3) . . ?
C88 N22 Pd5 112.9(3) . . ?
O3 N23 O2 117.2(4) . . ?
O3 N23 O1 122.3(4) . . ?
O2 N23 O1 120.4(4) . . ?
O5 N24 O6 120.4(4) . . ?
O5 N24 O4 119.1(5) . . ?
O6 N24 O4 119.6(4) . . ?
O8 N25 O7 119.4(4) . . ?
O8 N25 O9 119.9(4) . . ?
O7 N25 O9 120.6(4) . . ?
O11 N26 O10 120.5(4) . . ?
O11 N26 O12 119.4(4) . . ?
O10 N26 O12 120.1(4) . . ?
H1X O1W H1Y 109.5 . . ?
H2X O2W H2Y 109.5 . . ?
H3X O3W H3Y 109.5 . . ?
H4X O4W H4Y 109.5 . . ?
H5X O5W H5Y 109.5 . . ?
H6X O6W H6Y 109.5 . . ?
H7X O7W H7Y 109.5 . . ?
H8X O8W H8Y 109.5 . . ?
H9X O9W H9Y 109.5 . . ?
H11X O11W H11Y 109.5 . . ?
H12X O12W H12Y 109.5 . . ?
H13X O13W H13Y 109.5 . . ?
H14X O14W H14Y 109.5 . . ?
H15X O15W H15Y 109.5 . . ?
H16X O16W H16Y 109.5 . . ?
H17X O17W H17Y 109.5 . . ?
H18X O18W H18Y 109.5 . . ?
H19X O19W H19Y 94.9 . . ?
H20X O20W H20Y 109.5 . . ?
H10X O10W H10Y 109.5 . . ?
N14 Pd1 N1 95.78(16) . . ?
N14 Pd1 N8 178.22(17) . 2_656 ?
N1 Pd1 N8 85.73(16) . 2_656 ?
N14 Pd1 N13 80.91(16) . . ?
N1 Pd1 N13 176.47(16) . . ?
N8 Pd1 N13 97.59(17) 2_656 . ?
N9 Pd2 N16 96.24(16) . . ?
N9 Pd2 N15 176.63(17) . . ?
N16 Pd2 N15 82.18(16) . . ?
N9 Pd2 N3 84.56(17) . . ?
N16 Pd2 N3 178.23(18) . . ?
N15 Pd2 N3 96.94(17) . . ?
N9 Pd2 Pd3 64.28(12) . . ?
N16 Pd2 Pd3 113.81(13) . . ?
N15 Pd2 Pd3 113.60(12) . . ?
N3 Pd2 Pd3 65.11(13) . . ?
N4 Pd3 N10 83.51(16) . . ?
N4 Pd3 N17 178.80(16) . . ?
N10 Pd3 N17 97.66(17) . . ?
N4 Pd3 N18 97.96(16) . . ?
N10 Pd3 N18 178.53(17) . . ?
N17 Pd3 N18 80.87(17) . . ?
N4 Pd3 Pd2 63.14(11) . . ?
N10 Pd3 Pd2 63.57(12) . . ?
N17 Pd3 Pd2 117.17(11) . . ?
N18 Pd3 Pd2 117.10(12) . . ?
N11 Pd4 N19 175.52(17) . . ?
N11 Pd4 N20 96.97(16) . . ?
N19 Pd4 N20 81.92(17) . . ?
N11 Pd4 N5 83.59(16) . . ?
N19 Pd4 N5 97.48(16) . . ?
N20 Pd4 N5 179.21(18) . . ?
N11 Pd4 Pd5 62.73(12) . . ?
N19 Pd4 Pd5 113.92(13) . . ?
N20 Pd4 Pd5 117.73(12) . . ?
N5 Pd4 Pd5 62.03(12) . . ?
N6 Pd5 N21 177.47(17) . . ?
N6 Pd5 N22 96.29(16) . . ?
N21 Pd5 N22 82.07(16) . . ?
N6 Pd5 N12 85.82(16) . . ?
N21 Pd5 N12 95.66(16) . . ?
N22 Pd5 N12 175.28(16) . . ?
N6 Pd5 Pd4 62.31(13) . . ?
N21 Pd5 Pd4 120.20(12) . . ?
N22 Pd5 Pd4 123.10(11) . . ?
N12 Pd5 Pd4 61.62(12) . . ?

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
C6 C1 C2 C3 -2.6(8) . . . . ?
C9 C1 C2 C3 172.1(5) . . . . ?
C1 C2 C3 C4 3.4(8) . . . . ?
C1 C2 C3 C14 -176.1(5) . . . . ?
C2 C3 C4 C5 -1.9(7) . . . . ?
C14 C3 C4 C5 177.6(5) . . . . ?
C3 C4 C5 C6 -0.4(7) . . . . ?
C3 C4 C5 C19 178.6(5) . . . . ?
C4 C5 C6 C1 1.3(8) . . . . ?
C19 C5 C6 C1 -177.7(5) . . . . ?
C2 C1 C6 C5 0.1(8) . . . . ?
C9 C1 C6 C5 -174.2(5) . . . . ?
N1 C8 C9 C10 1.4(5) . . . . ?
C7 C8 C9 C10 172.5(5) . . . . ?
N1 C8 C9 C1 179.0(4) . . . . ?
C7 C8 C9 C1 -10.0(9) . . . . ?
C2 C1 C9 C8 -44.9(7) . . . . ?
C6 C1 C9 C8 129.4(6) . . . . ?
C2 C1 C9 C10 132.1(6) . . . . ?
C6 C1 C9 C10 -53.6(8) . . . . ?
C8 C9 C10 N2 0.4(5) . . . . ?
C1 C9 C10 N2 -177.1(4) . . . . ?
C8 C9 C10 C11 178.6(5) . . . . ?
C1 C9 C10 C11 1.2(9) . . . . ?
N3 C13 C14 C15 -2.8(6) . . . . ?
C12 C13 C14 C15 177.7(5) . . . . ?
N3 C13 C14 C3 178.4(5) . . . . ?
C12 C13 C14 C3 -1.2(9) . . . . ?
C4 C3 C14 C15 -55.5(8) . . . . ?
C2 C3 C14 C15 124.0(6) . . . . ?
C4 C3 C14 C13 123.1(6) . . . . ?
C2 C3 C14 C13 -57.4(8) . . . . ?
C13 C14 C15 N4 3.9(6) . . . . ?
C3 C14 C15 N4 -177.2(5) . . . . ?
C13 C14 C15 C16 179.0(5) . . . . ?
C3 C14 C15 C16 -2.1(10) . . . . ?
N5 C18 C19 C20 -0.9(5) . . . . ?
C17 C18 C19 C20 -176.0(5) . . . . ?
N5 C18 C19 C5 -178.1(5) . . . . ?
C17 C18 C19 C5 6.9(9) . . . . ?
C6 C5 C19 C18 -122.8(6) . . . . ?
C4 C5 C19 C18 58.2(7) . . . . ?
C6 C5 C19 C20 60.7(7) . . . . ?
C4 C5 C19 C20 -118.3(6) . . . . ?
C18 C19 C20 N6 -1.2(5) . . . . ?
C5 C19 C20 N6 175.9(5) . . . . ?
C18 C19 C20 C21 -175.4(5) . . . . ?
C5 C19 C20 C21 1.7(8) . . . . ?
C27 C22 C23 C24 1.5(8) . . . . ?
C30 C22 C23 C24 177.9(5) . . . . ?
C22 C23 C24 C25 1.0(8) . . . . ?
C22 C23 C24 C35 -179.0(5) . . . . ?
C23 C24 C25 C26 -1.6(8) . . . . ?
C35 C24 C25 C26 178.3(5) . . . . ?
C24 C25 C26 C27 -0.1(8) . . . . ?
C24 C25 C26 C40 -175.1(5) . . . . ?
C25 C26 C27 C22 2.5(8) . . . . ?
C40 C26 C27 C22 177.4(5) . . . . ?
C23 C22 C27 C26 -3.3(8) . . . . ?
C30 C22 C27 C26 -179.7(5) . . . . ?
N7 C29 C30 C31 -0.4(6) . . . . ?
C28 C29 C30 C31 179.2(5) . . . . ?
N7 C29 C30 C22 177.1(4) . . . . ?
C28 C29 C30 C22 -3.3(9) . . . . ?
C23 C22 C30 C29 -129.0(6) . . . . ?
C27 C22 C30 C29 47.4(8) . . . . ?
C23 C22 C30 C31 48.0(8) . . . . ?
C27 C22 C30 C31 -135.5(6) . . . . ?
C29 C30 C31 N8 0.8(6) . . . . ?
C22 C30 C31 N8 -176.8(4) . . . . ?
C29 C30 C31 C32 -176.2(5) . . . . ?
C22 C30 C31 C32 6.3(9) . . . . ?
N9 C34 C35 C36 2.5(6) . . . . ?
C33 C34 C35 C36 -178.5(6) . . . . ?
N9 C34 C35 C24 178.1(4) . . . . ?
C33 C34 C35 C24 -2.9(9) . . . . ?
C23 C24 C35 C36 -134.3(6) . . . . ?
C25 C24 C35 C36 45.7(8) . . . . ?
C23 C24 C35 C34 51.2(8) . . . . ?
C25 C24 C35 C34 -128.7(5) . . . . ?
C34 C35 C36 N10 -1.6(6) . . . . ?
C24 C35 C36 N10 -176.8(5) . . . . ?
C34 C35 C36 C37 178.5(6) . . . . ?
C24 C35 C36 C37 3.3(10) . . . . ?
N11 C39 C40 C41 0.4(5) . . . . ?
C38 C39 C40 C41 -178.4(6) . . . . ?
N11 C39 C40 C26 -179.7(4) . . . . ?
C38 C39 C40 C26 1.5(9) . . . . ?
C27 C26 C40 C41 -44.6(8) . . . . ?
C25 C26 C40 C41 130.3(6) . . . . ?
C27 C26 C40 C39 135.6(6) . . . . ?
C25 C26 C40 C39 -49.6(7) . . . . ?
C39 C40 C41 N12 -0.1(5) . . . . ?
C26 C40 C41 N12 180.0(4) . . . . ?
C39 C40 C41 C42 178.6(5) . . . . ?
C26 C40 C41 C42 -1.3(9) . . . . ?
N13 C43 C44 C45 1.1(8) . . . . ?
C43 C44 C45 C46 2.5(8) . . . . ?
C44 C45 C46 C47 -3.7(8) . . . . ?
C45 C46 C47 N13 1.4(8) . . . . ?
C45 C46 C47 C48 -178.4(5) . . . . ?
N13 C47 C48 N14 -0.1(6) . . . . ?
C46 C47 C48 N14 179.7(5) . . . . ?
N13 C47 C48 C49 -173.5(5) . . . . ?
C46 C47 C48 C49 6.3(9) . . . . ?
N14 C48 C49 C50 5.0(8) . . . . ?
C47 C48 C49 C50 177.9(5) . . . . ?
C48 C49 C50 C51 -4.3(8) . . . . ?
C49 C50 C51 C52 2.5(8) . . . . ?
C50 C51 C52 N14 -1.2(8) . . . . ?
N15 C53 C54 C55 -0.9(8) . . . . ?
C53 C54 C55 C56 -1.7(8) . . . . ?
C54 C55 C56 C57 2.1(8) . . . . ?
C55 C56 C57 N15 0.0(8) . . . . ?
C55 C56 C57 C58 -177.5(5) . . . . ?
N15 C57 C58 C59 -178.5(4) . . . . ?
C56 C57 C58 C59 -0.8(8) . . . . ?
N15 C57 C58 N16 -1.3(6) . . . . ?
C56 C57 C58 N16 176.4(4) . . . . ?
N16 C58 C59 C60 4.8(8) . . . . ?
C57 C58 C59 C60 -178.1(5) . . . . ?
C58 C59 C60 C61 -2.8(8) . . . . ?
C59 C60 C61 C62 -2.4(8) . . . . ?
C60 C61 C62 N16 6.1(8) . . . . ?
N17 C63 C64 C65 -3.0(7) . . . . ?
C63 C64 C65 C66 0.2(7) . . . . ?
C64 C65 C66 C67 0.6(7) . . . . ?
C65 C66 C67 N17 1.5(7) . . . . ?
C65 C66 C67 C68 -178.5(5) . . . . ?
C66 C67 C68 N18 -179.8(4) . . . . ?
N17 C67 C68 N18 0.3(6) . . . . ?
C66 C67 C68 C69 4.6(8) . . . . ?
N17 C67 C68 C69 -175.3(4) . . . . ?
N18 C68 C69 C70 4.0(7) . . . . ?
C67 C68 C69 C70 179.5(5) . . . . ?
C68 C69 C70 C71 -6.1(7) . . . . ?
C69 C70 C71 C72 7.3(7) . . . . ?
C70 C71 C72 N18 -6.6(7) . . . . ?
N19 C73 C74 C75 3.4(7) . . . . ?
C73 C74 C75 C76 -4.5(7) . . . . ?
C74 C75 C76 C77 1.6(7) . . . . ?
C75 C76 C77 N19 2.4(7) . . . . ?
C75 C76 C77 C78 -179.9(5) . . . . ?
N19 C77 C78 N20 -2.5(7) . . . . ?
C76 C77 C78 N20 179.7(4) . . . . ?
N19 C77 C78 C79 175.8(5) . . . . ?
C76 C77 C78 C79 -2.1(9) . . . . ?
N20 C78 C79 C80 -1.4(7) . . . . ?
C77 C78 C79 C80 -179.6(5) . . . . ?
C78 C79 C80 C81 -1.1(7) . . . . ?
C79 C80 C81 C82 3.3(6) . . . . ?
C80 C81 C82 N20 -2.9(9) . . . . ?
N21 C83 C84 C85 3.9(7) . . . . ?
C83 C84 C85 C86 -3.8(7) . . . . ?
C84 C85 C86 C87 1.7(7) . . . . ?
C85 C86 C87 N21 0.4(7) . . . . ?
C85 C86 C87 C88 -179.5(5) . . . . ?
N21 C87 C88 N22 -1.1(6) . . . . ?
C86 C87 C88 N22 178.8(4) . . . . ?
N21 C87 C88 C89 179.0(5) . . . . ?
C86 C87 C88 C89 -1.1(8) . . . . ?
N22 C88 C89 C90 -5.8(7) . . . . ?
C87 C88 C89 C90 174.1(5) . . . . ?
C88 C89 C90 C91 5.8(8) . . . . ?
C89 C90 C91 C92 -4.0(7) . . . . ?
C90 C91 C92 N22 2.2(7) . . . . ?
C9 C8 N1 N2 -2.7(4) . . . . ?
C7 C8 N1 N2 -174.5(4) . . . . ?
C9 C8 N1 Pd1 -156.6(3) . . . . ?
C7 C8 N1 Pd1 31.5(6) . . . . ?
C8 N1 N2 C10 3.0(4) . . . . ?
Pd1 N1 N2 C10 159.2(2) . . . . ?
C9 C10 N2 N1 -2.0(4) . . . . ?
C11 C10 N2 N1 179.5(4) . . . . ?
C14 C13 N3 N4 0.6(4) . . . . ?
C12 C13 N3 N4 -179.8(3) . . . . ?
C14 C13 N3 Pd2 156.6(3) . . . . ?
C12 C13 N3 Pd2 -23.8(5) . . . . ?
C14 C15 N4 N3 -3.6(5) . . . . ?
C16 C15 N4 N3 -179.2(4) . . . . ?
C14 C15 N4 Pd3 -157.2(3) . . . . ?
C16 C15 N4 Pd3 27.1(6) . . . . ?
C13 N3 N4 C15 1.8(4) . . . . ?
Pd2 N3 N4 C15 -159.2(2) . . . . ?
C13 N3 N4 Pd3 158.5(2) . . . . ?
Pd2 N3 N4 Pd3 -2.6(4) . . . . ?
C19 C18 N5 N6 2.8(4) . . . . ?
C17 C18 N5 N6 178.3(4) . . . . ?
C19 C18 N5 Pd4 156.6(3) . . . . ?
C17 C18 N5 Pd4 -27.9(6) . . . . ?
C19 C20 N6 N5 2.9(4) . . . . ?
C21 C20 N6 N5 177.2(4) . . . . ?
C19 C20 N6 Pd5 -152.2(3) . . . . ?
C21 C20 N6 Pd5 22.1(6) . . . . ?
C18 N5 N6 C20 -3.6(4) . . . . ?
Pd4 N5 N6 C20 -160.3(2) . . . . ?
C18 N5 N6 Pd5 154.4(2) . . . . ?
Pd4 N5 N6 Pd5 -2.3(5) . . . . ?
C30 C29 N7 N8 -0.1(4) . . . . ?
C28 C29 N7 N8 -179.8(3) . . . . ?
C29 N7 N8 C31 0.6(4) . . . . ?
C29 N7 N8 Pd1 -155.7(2) . . . 2_656 ?
C30 C31 N8 N7 -0.8(4) . . . . ?
C32 C31 N8 N7 176.4(4) . . . . ?
C30 C31 N8 Pd1 153.1(3) . . . 2_656 ?
C32 C31 N8 Pd1 -29.6(6) . . . 2_656 ?
C35 C34 N9 N10 -2.5(4) . . . . ?
C33 C34 N9 N10 178.4(4) . . . . ?
C35 C34 N9 Pd2 -154.8(3) . . . . ?
C33 C34 N9 Pd2 26.2(6) . . . . ?
C35 C36 N10 N9 0.1(5) . . . . ?
C37 C36 N10 N9 180.0(4) . . . . ?
C35 C36 N10 Pd3 157.3(3) . . . . ?
C37 C36 N10 Pd3 -22.8(6) . . . . ?
C34 N9 N10 C36 1.6(4) . . . . ?
Pd2 N9 N10 C36 158.4(2) . . . . ?
C34 N9 N10 Pd3 -159.0(2) . . . . ?
Pd2 N9 N10 Pd3 -2.2(4) . . . . ?
C38 C39 N11 N12 178.4(4) . . . . ?
C40 C39 N11 N12 -0.6(4) . . . . ?
C38 C39 N11 Pd4 18.7(7) . . . . ?
C40 C39 N11 Pd4 -160.2(2) . . . . ?
C40 C41 N12 N11 -0.2(4) . . . . ?
C42 C41 N12 N11 -179.0(4) . . . . ?
C40 C41 N12 Pd5 153.9(3) . . . . ?
C42 C41 N12 Pd5 -24.9(6) . . . . ?
C39 N11 N12 C41 0.5(4) . . . . ?
Pd4 N11 N12 C41 163.0(2) . . . . ?
C39 N11 N12 Pd5 -156.7(2) . . . . ?
Pd4 N11 N12 Pd5 5.9(4) . . . . ?
C44 C43 N13 C47 -3.5(6) . . . . ?
C44 C43 N13 Pd1 177.6(3) . . . . ?
C46 C47 N13 C43 2.2(7) . . . . ?
C48 C47 N13 C43 -177.9(4) . . . . ?
C46 C47 N13 Pd1 -178.7(4) . . . . ?
C48 C47 N13 Pd1 1.1(5) . . . . ?
C49 C48 N14 C52 -3.5(6) . . . . ?
C47 C48 N14 C52 -177.2(4) . . . . ?
C49 C48 N14 Pd1 172.7(4) . . . . ?
C47 C48 N14 Pd1 -1.0(5) . . . . ?
C51 C52 N14 C48 1.7(6) . . . . ?
C51 C52 N14 Pd1 -174.3(3) . . . . ?
C54 C53 N15 C57 3.0(7) . . . . ?
C54 C53 N15 Pd2 177.0(4) . . . . ?
C56 C57 N15 C53 -2.6(7) . . . . ?
C58 C57 N15 C53 175.1(4) . . . . ?
C56 C57 N15 Pd2 -177.3(4) . . . . ?
C58 C57 N15 Pd2 0.4(5) . . . . ?
C61 C62 N16 C58 -4.3(7) . . . . ?
C61 C62 N16 Pd2 175.5(4) . . . . ?
C59 C58 N16 C62 -1.4(6) . . . . ?
C57 C58 N16 C62 -178.7(4) . . . . ?
C59 C58 N16 Pd2 178.8(4) . . . . ?
C57 C58 N16 Pd2 1.5(5) . . . . ?
C66 C67 N17 C63 -4.2(6) . . . . ?
C68 C67 N17 C63 175.7(4) . . . . ?
C66 C67 N17 Pd3 178.9(4) . . . . ?
C68 C67 N17 Pd3 -1.1(4) . . . . ?
C64 C63 N17 C67 5.0(6) . . . . ?
C64 C63 N17 Pd3 -178.5(3) . . . . ?
C69 C68 N18 C72 -3.1(6) . . . . ?
C67 C68 N18 C72 -179.0(4) . . . . ?
C69 C68 N18 Pd3 176.7(3) . . . . ?
C67 C68 N18 Pd3 0.7(5) . . . . ?
C71 C72 N18 C68 4.5(6) . . . . ?
C71 C72 N18 Pd3 -175.2(3) . . . . ?
C76 C77 N19 C73 -3.6(6) . . . . ?
C78 C77 N19 C73 178.4(4) . . . . ?
C76 C77 N19 Pd4 -175.6(4) . . . . ?
C78 C77 N19 Pd4 6.4(5) . . . . ?
C74 C73 N19 C77 0.7(6) . . . . ?
C74 C73 N19 Pd4 171.8(3) . . . . ?
C81 C82 N20 C78 0.2(8) . . . . ?
C81 C82 N20 Pd4 -176.3(4) . . . . ?
C79 C78 N20 C82 1.9(6) . . . . ?
C77 C78 N20 C82 -179.7(4) . . . . ?
C79 C78 N20 Pd4 178.9(4) . . . . ?
C77 C78 N20 Pd4 -2.7(5) . . . . ?
C86 C87 N21 C83 -0.4(7) . . . . ?
C88 C87 N21 C83 179.5(4) . . . . ?
C86 C87 N21 Pd5 174.5(4) . . . . ?
C88 C87 N21 Pd5 -5.6(5) . . . . ?
C84 C83 N21 C87 -1.8(7) . . . . ?
C84 C83 N21 Pd5 -176.1(3) . . . . ?
C91 C92 N22 C88 -2.6(7) . . . . ?
C91 C92 N22 Pd5 174.1(4) . . . . ?
C89 C88 N22 C92 4.3(7) . . . . ?
C87 C88 N22 C92 -175.7(4) . . . . ?
C89 C88 N22 Pd5 -172.9(4) . . . . ?
C87 C88 N22 Pd5 7.1(5) . . . . ?
C48 N14 Pd1 N1 180.0(3) . . . . ?
C52 N14 Pd1 N1 -4.0(3) . . . . ?
C48 N14 Pd1 N13 1.2(3) . . . . ?
C52 N14 Pd1 N13 177.3(3) . . . . ?
C8 N1 Pd1 N14 -121.3(3) . . . . ?
N2 N1 Pd1 N14 87.6(3) . . . . ?
C8 N1 Pd1 N8 59.6(3) . . . 2_656 ?
N2 N1 Pd1 N8 -91.4(3) . . . 2_656 ?
C43 N13 Pd1 N14 177.7(3) . . . . ?
C47 N13 Pd1 N14 -1.2(3) . . . . ?
C43 N13 Pd1 N8 -3.3(4) . . . 2_656 ?
C47 N13 Pd1 N8 177.8(3) . . . 2_656 ?
C34 N9 Pd2 N16 -94.1(4) . . . . ?
N10 N9 Pd2 N16 114.8(3) . . . . ?
C34 N9 Pd2 N3 87.5(4) . . . . ?
N10 N9 Pd2 N3 -63.6(3) . . . . ?
C34 N9 Pd2 Pd3 152.5(4) . . . . ?
N10 N9 Pd2 Pd3 1.4(3) . . . . ?
C62 N16 Pd2 N9 2.2(4) . . . . ?
C58 N16 Pd2 N9 -178.0(3) . . . . ?
C62 N16 Pd2 N15 179.2(4) . . . . ?
C58 N16 Pd2 N15 -1.0(3) . . . . ?
C62 N16 Pd2 Pd3 66.8(4) . . . . ?
C58 N16 Pd2 Pd3 -113.4(2) . . . . ?
C53 N15 Pd2 N16 -174.0(3) . . . . ?
C57 N15 Pd2 N16 0.3(3) . . . . ?
C53 N15 Pd2 N3 4.4(3) . . . . ?
C57 N15 Pd2 N3 178.7(3) . . . . ?
C53 N15 Pd2 Pd3 -61.4(3) . . . . ?
C57 N15 Pd2 Pd3 112.9(3) . . . . ?
C13 N3 Pd2 N9 -89.9(4) . . . . ?
N4 N3 Pd2 N9 65.7(3) . . . . ?
C13 N3 Pd2 N15 93.1(4) . . . . ?
N4 N3 Pd2 N15 -111.3(3) . . . . ?
C13 N3 Pd2 Pd3 -154.1(4) . . . . ?
N4 N3 Pd2 Pd3 1.6(3) . . . . ?
C15 N4 Pd3 N10 89.1(3) . . . . ?
N3 N4 Pd3 N10 -61.9(3) . . . . ?
C15 N4 Pd3 N18 -90.9(3) . . . . ?
N3 N4 Pd3 N18 118.1(3) . . . . ?
C15 N4 Pd3 Pd2 152.7(3) . . . . ?
N3 N4 Pd3 Pd2 1.7(3) . . . . ?
C36 N10 Pd3 N4 -91.1(4) . . . . ?
N9 N10 Pd3 N4 64.6(3) . . . . ?
C36 N10 Pd3 N17 89.1(3) . . . . ?
N9 N10 Pd3 N17 -115.2(3) . . . . ?
C36 N10 Pd3 Pd2 -154.3(4) . . . . ?
N9 N10 Pd3 Pd2 1.4(3) . . . . ?
C67 N17 Pd3 N10 -178.8(2) . . . . ?
C63 N17 Pd3 N10 4.6(3) . . . . ?
C67 N17 Pd3 N18 1.2(2) . . . . ?
C63 N17 Pd3 N18 -175.4(3) . . . . ?
C67 N17 Pd3 Pd2 117.0(2) . . . . ?
C63 N17 Pd3 Pd2 -59.6(3) . . . . ?
C68 N18 Pd3 N4 179.2(2) . . . . ?
C72 N18 Pd3 N4 -1.0(3) . . . . ?
C68 N18 Pd3 N17 -1.0(2) . . . . ?
C72 N18 Pd3 N17 178.7(3) . . . . ?
C68 N18 Pd3 Pd2 -116.9(2) . . . . ?
C72 N18 Pd3 Pd2 62.8(3) . . . . ?
N9 Pd2 Pd3 N4 -97.28(18) . . . . ?
N16 Pd2 Pd3 N4 177.34(16) . . . . ?
N15 Pd2 Pd3 N4 85.60(18) . . . . ?
N3 Pd2 Pd3 N4 -1.11(18) . . . . ?
N9 Pd2 Pd3 N10 -0.95(19) . . . . ?
N16 Pd2 Pd3 N10 -86.32(18) . . . . ?
N15 Pd2 Pd3 N10 -178.07(19) . . . . ?
N3 Pd2 Pd3 N10 95.22(19) . . . . ?
N9 Pd2 Pd3 N17 84.0(2) . . . . ?
N16 Pd2 Pd3 N17 -1.36(18) . . . . ?
N15 Pd2 Pd3 N17 -93.10(19) . . . . ?
N3 Pd2 Pd3 N17 -179.81(19) . . . . ?
N9 Pd2 Pd3 N18 177.59(19) . . . . ?
N16 Pd2 Pd3 N18 92.21(18) . . . . ?
N15 Pd2 Pd3 N18 0.47(19) . . . . ?
N3 Pd2 Pd3 N18 -86.24(19) . . . . ?
N12 N11 Pd4 N20 114.0(3) . . . . ?
C39 N11 Pd4 N20 -87.7(3) . . . . ?
N12 N11 Pd4 N5 -65.4(3) . . . . ?
C39 N11 Pd4 N5 92.8(3) . . . . ?
N12 N11 Pd4 Pd5 -3.6(3) . . . . ?
C39 N11 Pd4 Pd5 154.6(4) . . . . ?
C77 N19 Pd4 N20 -6.2(3) . . . . ?
C73 N19 Pd4 N20 -177.9(4) . . . . ?
C77 N19 Pd4 N5 173.3(3) . . . . ?
C73 N19 Pd4 N5 1.6(3) . . . . ?
C77 N19 Pd4 Pd5 110.6(3) . . . . ?
C73 N19 Pd4 Pd5 -61.1(3) . . . . ?
C82 N20 Pd4 N11 5.9(5) . . . . ?
C78 N20 Pd4 N11 -170.9(3) . . . . ?
C82 N20 Pd4 N19 -178.5(5) . . . . ?
C78 N20 Pd4 N19 4.7(3) . . . . ?
C82 N20 Pd4 Pd5 68.6(5) . . . . ?
C78 N20 Pd4 Pd5 -108.1(2) . . . . ?
N6 N5 Pd4 N11 63.9(3) . . . . ?
C18 N5 Pd4 N11 -88.5(3) . . . . ?
N6 N5 Pd4 N19 -111.8(3) . . . . ?
C18 N5 Pd4 N19 95.9(3) . . . . ?
N6 N5 Pd4 Pd5 1.4(3) . . . . ?
C18 N5 Pd4 Pd5 -150.9(3) . . . . ?
C20 N6 Pd5 N22 -81.3(3) . . . . ?
N5 N6 Pd5 N22 125.7(3) . . . . ?
C20 N6 Pd5 N12 94.5(3) . . . . ?
N5 N6 Pd5 N12 -58.6(3) . . . . ?
C20 N6 Pd5 Pd4 154.5(4) . . . . ?
N5 N6 Pd5 Pd4 1.4(3) . . . . ?
C87 N21 Pd5 N22 7.4(3) . . . . ?
C83 N21 Pd5 N22 -178.0(4) . . . . ?
C87 N21 Pd5 N12 -168.4(3) . . . . ?
C83 N21 Pd5 N12 6.2(4) . . . . ?
C87 N21 Pd5 Pd4 131.3(3) . . . . ?
C83 N21 Pd5 Pd4 -54.1(4) . . . . ?
C92 N22 Pd5 N6 -6.7(4) . . . . ?
C88 N22 Pd5 N6 170.1(3) . . . . ?
C92 N22 Pd5 N21 175.2(4) . . . . ?
C88 N22 Pd5 N21 -7.9(3) . . . . ?
C92 N22 Pd5 Pd4 54.2(4) . . . . ?
C88 N22 Pd5 Pd4 -128.9(3) . . . . ?
C41 N12 Pd5 N6 -95.1(3) . . . . ?
N11 N12 Pd5 N6 57.0(3) . . . . ?
C41 N12 Pd5 N21 82.8(3) . . . . ?
N11 N12 Pd5 N21 -125.0(3) . . . . ?
C41 N12 Pd5 Pd4 -155.8(3) . . . . ?
N11 N12 Pd5 Pd4 -3.6(3) . . . . ?
N11 Pd4 Pd5 N6 -98.50(19) . . . . ?
N19 Pd4 Pd5 N6 84.80(19) . . . . ?
N20 Pd4 Pd5 N6 178.21(19) . . . . ?
N5 Pd4 Pd5 N6 -0.94(19) . . . . ?
N11 Pd4 Pd5 N21 81.81(19) . . . . ?
N19 Pd4 Pd5 N21 -94.89(19) . . . . ?
N20 Pd4 Pd5 N21 -1.5(2) . . . . ?
N5 Pd4 Pd5 N21 179.37(19) . . . . ?
N11 Pd4 Pd5 N22 -177.30(18) . . . . ?
N19 Pd4 Pd5 N22 6.00(18) . . . . ?
N20 Pd4 Pd5 N22 99.41(19) . . . . ?
N5 Pd4 Pd5 N22 -79.74(18) . . . . ?
N11 Pd4 Pd5 N12 2.46(18) . . . . ?
N19 Pd4 Pd5 N12 -174.25(17) . . . . ?
N20 Pd4 Pd5 N12 -80.84(18) . . . . ?
N5 Pd4 Pd5 N12 100.01(18) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.078

_database_code_depnum_ccdc_archive 'CCDC 1007900'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_jxf1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C228 H254 N44 Pd10, 10(N O3)'
_chemical_formula_sum            'C228 H254 N54 O30 Pd10'
_chemical_formula_weight         5294.85

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'
O O 0.0106 0.0060 '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   '
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   22.144(4)
_cell_length_b                   25.555(5)
_cell_length_c                   29.195(6)
_cell_angle_alpha                88.07(3)
_cell_angle_beta                 74.13(3)
_cell_angle_gamma                71.95(3)
_cell_volume                     15086(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.166
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5400
_exptl_absorpt_coefficient_mu    0.642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8824
_exptl_absorpt_correction_T_max  0.9043
_exptl_absorpt_process_details   'SADABS; Bruker, 1000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            418890
_diffrn_reflns_av_R_equivalents  0.0168
_diffrn_reflns_av_sigmaI/netI    0.0908
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.13
_diffrn_reflns_theta_max         26.00
_reflns_number_total             59243
_reflns_number_gt                32115
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  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. 
;
# SQUEEZE RESULTS
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.003 0.002 0.000 4826 390 ' '

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.07P)²+1.88P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         59243
_refine_ls_number_parameters     2955
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0519
_refine_ls_wR_factor_ref         0.1545
_refine_ls_wR_factor_gt          0.1526
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.000
_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
C1 C 0.8864(3) 0.0907(2) 0.5069(2) 0.0664(17) Uani 1 1 d . . .
H1 H 0.8421 0.1006 0.5076 0.080 Uiso 1 1 calc R . .
C2 C 0.9052(3) 0.0830(2) 0.5505(2) 0.0606(15) Uani 1 1 d . . .
H2 H 0.8736 0.0874 0.5798 0.073 Uiso 1 1 calc R . .
C3 C 0.9714(3) 0.0688(2) 0.5479(2) 0.0647(16) Uani 1 1 d . . .
C4 C 1.0185(3) 0.0622(2) 0.5054(2) 0.0616(16) Uani 1 1 d . . .
H4 H 1.0628 0.0529 0.5048 0.074 Uiso 1 1 calc R . .
C5 C 1.0005(3) 0.0696(2) 0.4622(2) 0.0652(17) Uani 1 1 d . . .
C6 C 1.0446(3) 0.0712(2) 0.4142(2) 0.0593(15) Uani 1 1 d . . .
C7 C 1.1076(3) 0.0770(2) 0.4019(2) 0.0698(18) Uani 1 1 d . . .
H7 H 1.1308 0.0736 0.4246 0.084 Uiso 1 1 calc R . .
C8 C 1.1349(3) 0.0876(3) 0.3559(2) 0.0724(18) Uani 1 1 d . . .
C9 C 1.1022(3) 0.0909(2) 0.3214(2) 0.0658(17) Uani 1 1 d . . .
H9 H 1.1219 0.0976 0.2902 0.079 Uiso 1 1 calc R . .
C10 C 1.0405(3) 0.0842(2) 0.33291(19) 0.0577(15) Uani 1 1 d . . .
H10 H 1.0184 0.0867 0.3096 0.069 Uiso 1 1 calc R . .
C11 C 0.9881(3) 0.0597(3) 0.5955(2) 0.0732(19) Uani 1 1 d . . .
H11A H 1.0335 0.0377 0.5901 0.110 Uiso 1 1 calc R . .
H11B H 0.9601 0.0410 0.6157 0.110 Uiso 1 1 calc R . .
H11C H 0.9811 0.0947 0.6107 0.110 Uiso 1 1 calc R . .
C12 C 1.2013(3) 0.0955(2) 0.3462(2) 0.0696(17) Uani 1 1 d . . .
H12A H 1.2326 0.0687 0.3219 0.104 Uiso 1 1 calc R . .
H12B H 1.2152 0.0909 0.3748 0.104 Uiso 1 1 calc R . .
H12C H 1.1987 0.1319 0.3356 0.104 Uiso 1 1 calc R . .
C13 C 0.8947(3) 0.0113(2) 0.3119(2) 0.0669(17) Uani 1 1 d . . .
H13A H 0.9078 0.0006 0.3405 0.100 Uiso 1 1 calc R . .
H13B H 0.9251 -0.0130 0.2855 0.100 Uiso 1 1 calc R . .
H13C H 0.8511 0.0093 0.3158 0.100 Uiso 1 1 calc R . .
C14 C 0.8950(3) 0.0677(3) 0.3027(2) 0.0658(17) Uani 1 1 d . . .
C15 C 0.8762(3) 0.0972(3) 0.2673(2) 0.0619(16) Uani 1 1 d . . .
C16 C 0.8708(3) 0.1500(3) 0.2760(2) 0.0715(18) Uani 1 1 d . . .
C17 C 0.8591(3) 0.2021(3) 0.2490(2) 0.079(2) Uani 1 1 d . . .
H17A H 0.8985 0.2127 0.2404 0.119 Uiso 1 1 calc R . .
H17B H 0.8235 0.2310 0.2688 0.119 Uiso 1 1 calc R . .
H17C H 0.8478 0.1955 0.2207 0.119 Uiso 1 1 calc R . .
C18 C 0.8561(3) 0.0695(3) 0.2272(2) 0.0734(19) Uani 1 1 d . . .
H18A H 0.8959 0.0548 0.2013 0.088 Uiso 1 1 calc R . .
H18B H 0.8431 0.0382 0.2410 0.088 Uiso 1 1 calc R . .
C19 C 0.8008(3) 0.1037(2) 0.2045(2) 0.0594(15) Uani 1 1 d . . .
C20 C 0.8127(3) 0.1332(2) 0.16394(19) 0.0586(15) Uani 1 1 d . . .
C21 C 0.7600(3) 0.1671(2) 0.1489(2) 0.0633(16) Uani 1 1 d . . .
C22 C 0.6955(3) 0.1717(2) 0.1745(2) 0.0554(15) Uani 1 1 d . . .
C23 C 0.6837(3) 0.1422(2) 0.21514(18) 0.0519(14) Uani 1 1 d . . .
C24 C 0.7363(3) 0.1083(2) 0.23015(19) 0.0604(16) Uani 1 1 d . . .
C25 C 0.7222(3) 0.0796(2) 0.27698(19) 0.0631(16) Uani 1 1 d . . .
H25A H 0.7318 0.0409 0.2702 0.095 Uiso 1 1 calc R . .
H25B H 0.6765 0.0951 0.2942 0.095 Uiso 1 1 calc R . .
H25C H 0.7494 0.0847 0.2959 0.095 Uiso 1 1 calc R . .
C26 C 0.8848(3) 0.1363(3) 0.1410(2) 0.0679(17) Uani 1 1 d . . .
H26A H 0.9066 0.1103 0.1141 0.102 Uiso 1 1 calc R . .
H26B H 0.9093 0.1278 0.1643 0.102 Uiso 1 1 calc R . .
H26C H 0.8823 0.1728 0.1308 0.102 Uiso 1 1 calc R . .
C27 C 0.7710(3) 0.1987(2) 0.10365(19) 0.0605(16) Uani 1 1 d . . .
H27A H 0.7590 0.2372 0.1136 0.073 Uiso 1 1 calc R . .
H27B H 0.8181 0.1866 0.0882 0.073 Uiso 1 1 calc R . .
C28 C 0.6360(2) 0.2140(2) 0.16286(18) 0.0466(13) Uani 1 1 d . . .
H28A H 0.6172 0.1958 0.1448 0.070 Uiso 1 1 calc R . .
H28B H 0.6502 0.2420 0.1445 0.070 Uiso 1 1 calc R . .
H28C H 0.6034 0.2305 0.1920 0.070 Uiso 1 1 calc R . .
C29 C 0.6155(3) 0.1425(2) 0.2421(2) 0.0593(15) Uani 1 1 d . . .
H29A H 0.6080 0.1571 0.2741 0.071 Uiso 1 1 calc R . .
H29B H 0.5854 0.1695 0.2279 0.071 Uiso 1 1 calc R . .
C30 C 0.7408(3) 0.0952(2) 0.0636(2) 0.0602(15) Uani 1 1 d . . .
H30A H 0.7118 0.0901 0.0933 0.090 Uiso 1 1 calc R . .
H30B H 0.7854 0.0838 0.0658 0.090 Uiso 1 1 calc R . .
H30C H 0.7378 0.0735 0.0386 0.090 Uiso 1 1 calc R . .
C31 C 0.7216(2) 0.1527(2) 0.05319(18) 0.0517(14) Uani 1 1 d . . .
C32 C 0.7380(3) 0.1962(2) 0.0670(2) 0.0572(15) Uani 1 1 d . . .
C33 C 0.7107(3) 0.2406(2) 0.0414(2) 0.0577(15) Uani 1 1 d . . .
C34 C 0.7107(3) 0.2962(2) 0.04316(18) 0.0553(15) Uani 1 1 d . . .
H34A H 0.7210 0.3084 0.0113 0.083 Uiso 1 1 calc R . .
H34B H 0.7432 0.2986 0.0583 0.083 Uiso 1 1 calc R . .
H34C H 0.6678 0.3192 0.0610 0.083 Uiso 1 1 calc R . .
C35 C 0.7596(3) 0.0732(2) -0.05417(19) 0.0598(15) Uani 1 1 d . . .
H35 H 0.7751 0.0996 -0.0446 0.072 Uiso 1 1 calc R . .
C36 C 0.8032(3) 0.0250(2) -0.07983(19) 0.0626(16) Uani 1 1 d . . .
H36 H 0.8485 0.0194 -0.0876 0.075 Uiso 1 1 calc R . .
C37 C 0.7800(3) -0.0145(2) -0.0939(2) 0.0609(16) Uani 1 1 d . . .
C38 C 0.7118(3) -0.0063(2) -0.08337(18) 0.0547(14) Uani 1 1 d . . .
H38 H 0.6961 -0.0324 -0.0933 0.066 Uiso 1 1 calc R . .
C39 C 0.6680(3) 0.0421(2) -0.05755(18) 0.0490(13) Uani 1 1 d . . .
C40 C 0.6005(3) 0.0555(2) -0.04668(17) 0.0438(12) Uani 1 1 d . . .
C41 C 0.5646(3) 0.0244(2) -0.05945(18) 0.0504(14) Uani 1 1 d . . .
H41 H 0.5880 -0.0096 -0.0759 0.060 Uiso 1 1 calc R . .
C42 C 0.4974(3) 0.0414(2) -0.04903(19) 0.0551(15) Uani 1 1 d . . .
C43 C 0.4604(3) 0.0922(2) -0.02310(18) 0.0525(14) Uani 1 1 d . . .
H43 H 0.4145 0.1050 -0.0155 0.063 Uiso 1 1 calc R . .
C44 C 0.4979(3) 0.1229(2) -0.00914(18) 0.0494(13) Uani 1 1 d . . .
H44 H 0.4754 0.1564 0.0082 0.059 Uiso 1 1 calc R . .
C45 C 0.8356(3) -0.0685(2) -0.1161(2) 0.0701(18) Uani 1 1 d . . .
H45A H 0.8427 -0.0701 -0.1501 0.105 Uiso 1 1 calc R . .
H45B H 0.8228 -0.0996 -0.1030 0.105 Uiso 1 1 calc R . .
H45C H 0.8756 -0.0690 -0.1091 0.105 Uiso 1 1 calc R . .
C46 C 0.4615(3) 0.0076(2) -0.06563(19) 0.0554(14) Uani 1 1 d . . .
H46A H 0.4406 0.0271 -0.0887 0.083 Uiso 1 1 calc R . .
H46B H 0.4286 0.0012 -0.0389 0.083 Uiso 1 1 calc R . .
H46C H 0.4925 -0.0271 -0.0799 0.083 Uiso 1 1 calc R . .
C47 C 0.7347(3) 0.2578(2) -0.08773(19) 0.0550(14) Uani 1 1 d . . .
H47 H 0.7542 0.2363 -0.0661 0.066 Uiso 1 1 calc R . .
C48 C 0.7775(3) 0.2675(2) -0.13331(18) 0.0524(14) Uani 1 1 d . . .
H48 H 0.8233 0.2559 -0.1400 0.063 Uiso 1 1 calc R . .
C49 C 0.7466(3) 0.2938(2) -0.16387(19) 0.0547(14) Uani 1 1 d . . .
C50 C 0.6824(3) 0.3113(2) -0.15218(19) 0.0527(14) Uani 1 1 d . . .
H50 H 0.6617 0.3289 -0.1747 0.063 Uiso 1 1 calc R . .
C51 C 0.6457(3) 0.3053(2) -0.1103(2) 0.0520(14) Uani 1 1 d . . .
C52 C 0.5753(3) 0.3253(2) -0.09298(19) 0.0530(14) Uani 1 1 d . . .
C53 C 0.5316(3) 0.3545(2) -0.1232(2) 0.0561(15) Uani 1 1 d . . .
H53 H 0.5496 0.3604 -0.1549 0.067 Uiso 1 1 calc R . .
C54 C 0.4659(3) 0.3721(2) -0.1034(2) 0.0573(15) Uani 1 1 d . . .
C55 C 0.4355(3) 0.3560(2) -0.0567(2) 0.0581(15) Uani 1 1 d . . .
H55 H 0.3898 0.3658 -0.0446 0.070 Uiso 1 1 calc R . .
C56 C 0.4782(3) 0.3247(2) -0.0306(2) 0.0533(14) Uani 1 1 d . . .
H56 H 0.4610 0.3142 -0.0003 0.064 Uiso 1 1 calc R . .
C57 C 0.7898(3) 0.3027(2) -0.21196(19) 0.079(2) Uani 1 1 d . . .
H57A H 0.7814 0.2847 -0.2369 0.119 Uiso 1 1 calc R . .
H57B H 0.8355 0.2874 -0.2126 0.119 Uiso 1 1 calc R . .
H57C H 0.7798 0.3414 -0.2167 0.119 Uiso 1 1 calc R . .
C58 C 0.4249(3) 0.4020(2) -0.13466(18) 0.0555(15) Uani 1 1 d . . .
H58A H 0.4532 0.4085 -0.1642 0.083 Uiso 1 1 calc R . .
H58B H 0.3956 0.4366 -0.1190 0.083 Uiso 1 1 calc R . .
H58C H 0.3995 0.3801 -0.1410 0.083 Uiso 1 1 calc R . .
C59 C 0.4919(3) 0.1453(2) 0.10597(19) 0.0522(14) Uani 1 1 d . . .
H59A H 0.4505 0.1456 0.1015 0.078 Uiso 1 1 calc R . .
H59B H 0.4902 0.1417 0.1391 0.078 Uiso 1 1 calc R . .
H59C H 0.5267 0.1148 0.0875 0.078 Uiso 1 1 calc R . .
C60 C 0.5043(2) 0.1958(2) 0.09087(17) 0.0460(13) Uani 1 1 d . . .
C61 C 0.4768(3) 0.2514(2) 0.11279(19) 0.0525(14) Uani 1 1 d . . .
C62 C 0.5084(2) 0.2817(2) 0.07964(19) 0.0478(13) Uani 1 1 d . . .
C63 C 0.4997(2) 0.3416(2) 0.0826(2) 0.0536(14) Uani 1 1 d . . .
H63A H 0.5417 0.3475 0.0701 0.080 Uiso 1 1 calc R . .
H63B H 0.4813 0.3553 0.1153 0.080 Uiso 1 1 calc R . .
H63C H 0.4703 0.3606 0.0643 0.080 Uiso 1 1 calc R . .
C64 C 0.4310(2) 0.2696(2) 0.16051(18) 0.0508(14) Uani 1 1 d . . .
H64A H 0.4138 0.3095 0.1625 0.061 Uiso 1 1 calc R . .
H64B H 0.4557 0.2588 0.1840 0.061 Uiso 1 1 calc R . .
C65 C 0.3720(3) 0.2462(2) 0.1737(2) 0.0528(14) Uani 1 1 d . . .
C66 C 0.3629(3) 0.2126(2) 0.2111(2) 0.0594(15) Uani 1 1 d . . .
C67 C 0.3114(3) 0.1903(2) 0.2217(2) 0.0632(17) Uani 1 1 d . . .
C68 C 0.2661(3) 0.2024(2) 0.1935(2) 0.0576(15) Uani 1 1 d . . .
C69 C 0.2721(3) 0.2411(2) 0.15699(19) 0.0539(14) Uani 1 1 d . . .
C70 C 0.3241(3) 0.2615(2) 0.14621(19) 0.0532(14) Uani 1 1 d . . .
C71 C 0.3316(3) 0.3023(2) 0.1095(2) 0.0680(17) Uani 1 1 d . . .
H71A H 0.3133 0.2962 0.0847 0.102 Uiso 1 1 calc R . .
H71B H 0.3776 0.2983 0.0962 0.102 Uiso 1 1 calc R . .
H71C H 0.3087 0.3389 0.1238 0.102 Uiso 1 1 calc R . .
C72 C 0.4099(3) 0.1986(2) 0.2425(2) 0.0623(16) Uani 1 1 d . . .
H72A H 0.4547 0.1894 0.2227 0.094 Uiso 1 1 calc R . .
H72B H 0.4041 0.1678 0.2608 0.094 Uiso 1 1 calc R . .
H72C H 0.4007 0.2298 0.2636 0.094 Uiso 1 1 calc R . .
C73 C 0.3019(3) 0.1550(2) 0.26479(19) 0.0551(14) Uani 1 1 d . . .
H73A H 0.2977 0.1765 0.2929 0.066 Uiso 1 1 calc R . .
H73B H 0.2605 0.1472 0.2691 0.066 Uiso 1 1 calc R . .
C74 C 0.2103(3) 0.1789(2) 0.1982(2) 0.0647(16) Uani 1 1 d . . .
H74D H 0.2087 0.1549 0.2242 0.097 Uiso 1 1 calc R . .
H74E H 0.2174 0.1585 0.1692 0.097 Uiso 1 1 calc R . .
H74F H 0.1693 0.2084 0.2042 0.097 Uiso 1 1 calc R . .
C75 C 0.2221(3) 0.2592(2) 0.12987(19) 0.0530(14) Uani 1 1 d . . .
H75A H 0.1953 0.2346 0.1356 0.064 Uiso 1 1 calc R . .
H75B H 0.2448 0.2556 0.0961 0.064 Uiso 1 1 calc R . .
C76 C 0.1571(3) 0.3374(2) 0.06011(18) 0.0621(16) Uani 1 1 d . . .
H76A H 0.1197 0.3276 0.0574 0.093 Uiso 1 1 calc R . .
H76B H 0.1966 0.3068 0.0484 0.093 Uiso 1 1 calc R . .
H76C H 0.1605 0.3687 0.0417 0.093 Uiso 1 1 calc R . .
C77 C 0.1487(2) 0.3514(2) 0.11173(17) 0.0432(12) Uani 1 1 d . . .
C78 C 0.1776(2) 0.3169(2) 0.14231(18) 0.0451(13) Uani 1 1 d . . .
C79 C 0.1566(3) 0.3468(2) 0.18400(19) 0.0555(15) Uani 1 1 d . . .
C80 C 0.1648(3) 0.3348(2) 0.23200(19) 0.0631(16) Uani 1 1 d . . .
H80A H 0.1503 0.3687 0.2510 0.095 Uiso 1 1 calc R . .
H80B H 0.2105 0.3163 0.2296 0.095 Uiso 1 1 calc R . .
H80C H 0.1389 0.3117 0.2468 0.095 Uiso 1 1 calc R . .
C81 C -0.0146(3) 0.4129(2) 0.10245(19) 0.0572(15) Uani 1 1 d . . .
H81 H 0.0122 0.3858 0.1166 0.069 Uiso 1 1 calc R . .
C82 C -0.0703(3) 0.4042(2) 0.09541(19) 0.0585(15) Uani 1 1 d . . .
H82 H -0.0808 0.3721 0.1045 0.070 Uiso 1 1 calc R . .
C83 C -0.1092(3) 0.4445(3) 0.0746(2) 0.0671(17) Uani 1 1 d . . .
C84 C -0.0920(2) 0.4952(2) 0.06129(17) 0.0478(13) Uani 1 1 d . . .
H84 H -0.1177 0.5242 0.0479 0.057 Uiso 1 1 calc R . .
C85 C -0.0339(3) 0.4959(2) 0.07052(18) 0.0533(14) Uani 1 1 d . . .
C86 C -0.0130(3) 0.5463(2) 0.06022(18) 0.0501(13) Uani 1 1 d . . .
C87 C -0.0432(2) 0.5911(2) 0.04040(18) 0.0464(13) Uani 1 1 d . . .
H87 H -0.0808 0.5914 0.0319 0.056 Uiso 1 1 calc R . .
C88 C -0.0226(3) 0.6361(2) 0.03184(18) 0.0500(14) Uani 1 1 d . . .
C89 C 0.0384(2) 0.6331(2) 0.04487(18) 0.0471(13) Uani 1 1 d . . .
H89 H 0.0584 0.6607 0.0390 0.056 Uiso 1 1 calc R . .
C90 C 0.0627(3) 0.58500(19) 0.06692(17) 0.0456(13) Uani 1 1 d . . .
H90 H 0.0991 0.5826 0.0780 0.055 Uiso 1 1 calc R . .
C91 C -0.1684(3) 0.4370(2) 0.06501(19) 0.0533(14) Uani 1 1 d . . .
H91A H -0.1685 0.3998 0.0707 0.080 Uiso 1 1 calc R . .
H91B H -0.1675 0.4443 0.0324 0.080 Uiso 1 1 calc R . .
H91C H -0.2075 0.4621 0.0857 0.080 Uiso 1 1 calc R . .
C92 C -0.0604(3) 0.6847(2) 0.01090(19) 0.0542(14) Uani 1 1 d . . .
H92A H -0.0431 0.6814 -0.0232 0.081 Uiso 1 1 calc R . .
H92B H -0.0564 0.7176 0.0230 0.081 Uiso 1 1 calc R . .
H92C H -0.1061 0.6866 0.0194 0.081 Uiso 1 1 calc R . .
C93 C 0.0945(3) 0.5570(2) 0.18131(18) 0.0511(14) Uani 1 1 d . . .
H93A H 0.0681 0.5768 0.1613 0.077 Uiso 1 1 calc R . .
H93B H 0.1027 0.5828 0.2002 0.077 Uiso 1 1 calc R . .
H93C H 0.0714 0.5352 0.2020 0.077 Uiso 1 1 calc R . .
C94 C 0.1589(3) 0.5201(2) 0.15083(19) 0.0523(14) Uani 1 1 d . . .
C95 C 0.2306(3) 0.5066(2) 0.1482(2) 0.0620(16) Uani 1 1 d . . .
C96 C 0.2628(3) 0.4740(2) 0.1088(2) 0.0532(14) Uani 1 1 d . . .
C97 C 0.3327(2) 0.4489(2) 0.0849(2) 0.0580(15) Uani 1 1 d . . .
H97A H 0.3478 0.4735 0.0623 0.087 Uiso 1 1 calc R . .
H97B H 0.3390 0.4149 0.0684 0.087 Uiso 1 1 calc R . .
H97C H 0.3574 0.4417 0.1080 0.087 Uiso 1 1 calc R . .
C98 C 0.2505(3) 0.5326(2) 0.18493(19) 0.0575(15) Uani 1 1 d . . .
H98A H 0.2151 0.5411 0.2144 0.069 Uiso 1 1 calc R . .
H98B H 0.2580 0.5668 0.1737 0.069 Uiso 1 1 calc R . .
C99 C 0.3147(3) 0.4927(2) 0.19438(19) 0.0623(16) Uani 1 1 d . . .
C100 C 0.3067(3) 0.4497(2) 0.22314(18) 0.0544(15) Uani 1 1 d . . .
C101 C 0.3634(3) 0.4088(2) 0.23231(19) 0.0537(14) Uani 1 1 d . . .
C102 C 0.4219(3) 0.4151(2) 0.21130(18) 0.0489(13) Uani 1 1 d . . .
C103 C 0.4298(2) 0.4595(2) 0.18305(19) 0.0526(14) Uani 1 1 d . . .
C104 C 0.3757(3) 0.4983(2) 0.1725(2) 0.0630(16) Uani 1 1 d . . .
C105 C 0.3912(3) 0.5401(2) 0.13528(18) 0.0641(17) Uani 1 1 d . . .
H10N H 0.3507 0.5644 0.1307 0.096 Uiso 1 1 calc R . .
H10O H 0.4187 0.5207 0.1056 0.096 Uiso 1 1 calc R . .
H10P H 0.4139 0.5613 0.1465 0.096 Uiso 1 1 calc R . .
C106 C 0.2382(3) 0.4433(2) 0.2448(2) 0.0583(15) Uani 1 1 d . . .
H10D H 0.2238 0.4536 0.2783 0.087 Uiso 1 1 calc R . .
H10E H 0.2404 0.4057 0.2402 0.087 Uiso 1 1 calc R . .
H10F H 0.2074 0.4668 0.2294 0.087 Uiso 1 1 calc R . .
C107 C 0.3565(3) 0.3619(2) 0.26338(17) 0.0509(14) Uani 1 1 d . . .
H10G H 0.4005 0.3380 0.2623 0.061 Uiso 1 1 calc R . .
H10H H 0.3358 0.3408 0.2493 0.061 Uiso 1 1 calc R . .
C108 C 0.4874(2) 0.3715(2) 0.21696(18) 0.0513(14) Uani 1 1 d . . .
H10I H 0.4835 0.3659 0.2502 0.077 Uiso 1 1 calc R . .
H10J H 0.5241 0.3849 0.2035 0.077 Uiso 1 1 calc R . .
H10K H 0.4943 0.3373 0.2006 0.077 Uiso 1 1 calc R . .
C109 C 0.5029(2) 0.4612(2) 0.15766(19) 0.0541(14) Uani 1 1 d . . .
H10L H 0.5282 0.4262 0.1402 0.065 Uiso 1 1 calc R . .
H10M H 0.5001 0.4894 0.1346 0.065 Uiso 1 1 calc R . .
C110 C 0.4538(2) 0.5270(2) 0.26443(18) 0.0516(14) Uani 1 1 d . . .
H11D H 0.4421 0.5652 0.2575 0.077 Uiso 1 1 calc R . .
H11E H 0.4537 0.5235 0.2973 0.077 Uiso 1 1 calc R . .
H11F H 0.4222 0.5113 0.2585 0.077 Uiso 1 1 calc R . .
C111 C 0.5199(3) 0.4976(2) 0.23383(19) 0.0577(15) Uani 1 1 d . . .
C112 C 0.5401(3) 0.4723(2) 0.1897(2) 0.0539(14) Uani 1 1 d . . .
C113 C 0.6090(3) 0.4535(2) 0.1778(2) 0.0514(14) Uani 1 1 d . . .
C114 C 0.6606(2) 0.4222(2) 0.13068(19) 0.0532(14) Uani 1 1 d . . .
H11G H 0.6942 0.4397 0.1201 0.080 Uiso 1 1 calc R . .
H11H H 0.6384 0.4234 0.1064 0.080 Uiso 1 1 calc R . .
H11I H 0.6804 0.3846 0.1369 0.080 Uiso 1 1 calc R . .
C115 C 0.5443(2) 0.6132(2) 0.2959(2) 0.0557(14) Uani 1 1 d . . .
H115 H 0.5462 0.6038 0.2649 0.067 Uiso 1 1 calc R . .
C116 C 0.5264(3) 0.6683(2) 0.3104(2) 0.0637(16) Uani 1 1 d . . .
H116 H 0.5174 0.6949 0.2887 0.076 Uiso 1 1 calc R . .
C117 C 0.5219(3) 0.6836(3) 0.3524(3) 0.0727(18) Uani 1 1 d . . .
C118 C 0.5334(3) 0.6446(2) 0.3840(2) 0.0654(17) Uani 1 1 d . . .
H118 H 0.5305 0.6561 0.4146 0.079 Uiso 1 1 calc R . .
C119 C 0.5496(2) 0.5865(2) 0.37350(19) 0.0541(14) Uani 1 1 d . . .
C120 C 0.5681(3) 0.5427(2) 0.4039(2) 0.0544(14) Uani 1 1 d . . .
C121 C 0.5606(3) 0.5469(2) 0.4535(2) 0.0636(16) Uani 1 1 d . . .
H121 H 0.5389 0.5813 0.4696 0.076 Uiso 1 1 calc R . .
C122 C 0.5833(3) 0.5038(2) 0.4784(2) 0.0649(17) Uani 1 1 d . . .
C123 C 0.6082(3) 0.4524(2) 0.4545(2) 0.0593(15) Uani 1 1 d . . .
H123 H 0.6230 0.4208 0.4704 0.071 Uiso 1 1 calc R . .
C124 C 0.6109(3) 0.4485(2) 0.4062(2) 0.0604(15) Uani 1 1 d . . .
H124 H 0.6282 0.4139 0.3903 0.073 Uiso 1 1 calc R . .
C125 C 0.5057(3) 0.7435(2) 0.3658(2) 0.0621(16) Uani 1 1 d . . .
H12D H 0.5451 0.7508 0.3674 0.093 Uiso 1 1 calc R . .
H12E H 0.4735 0.7525 0.3963 0.093 Uiso 1 1 calc R . .
H12F H 0.4882 0.7654 0.3423 0.093 Uiso 1 1 calc R . .
C126 C 0.5763(3) 0.5092(2) 0.53132(18) 0.0584(15) Uani 1 1 d . . .
H12G H 0.6175 0.5095 0.5359 0.088 Uiso 1 1 calc R . .
H12H H 0.5646 0.4785 0.5467 0.088 Uiso 1 1 calc R . .
H12I H 0.5425 0.5429 0.5449 0.088 Uiso 1 1 calc R . .
C127 C 0.7289(2) 0.5326(2) 0.17944(16) 0.0466(13) Uani 1 1 d . . .
H127 H 0.6876 0.5364 0.1754 0.056 Uiso 1 1 calc R . .
C128 C 0.7592(3) 0.5760(2) 0.16550(16) 0.0468(13) Uani 1 1 d . . .
H128 H 0.7376 0.6090 0.1543 0.056 Uiso 1 1 calc R . .
C129 C 0.8198(3) 0.5649(2) 0.16991(19) 0.0565(15) Uani 1 1 d . . .
C130 C 0.8506(3) 0.5177(2) 0.1909(2) 0.0597(15) Uani 1 1 d . . .
H130 H 0.8912 0.5127 0.1968 0.072 Uiso 1 1 calc R . .
C131 C 0.8186(3) 0.4799(2) 0.20211(19) 0.0575(15) Uani 1 1 d . . .
C132 C 0.8452(3) 0.4292(2) 0.22341(17) 0.0492(13) Uani 1 1 d . . .
C133 C 0.9072(3) 0.4075(2) 0.22968(18) 0.0528(14) Uani 1 1 d . . .
H133 H 0.9362 0.4278 0.2187 0.063 Uiso 1 1 calc R . .
C134 C 0.9304(3) 0.3612(2) 0.24950(18) 0.0562(15) Uani 1 1 d . . .
C135 C 0.8822(3) 0.3321(2) 0.26931(19) 0.0575(15) Uani 1 1 d . . .
H135 H 0.8930 0.2997 0.2850 0.069 Uiso 1 1 calc R . .
C136 C 0.8208(3) 0.3552(2) 0.26351(18) 0.0506(13) Uani 1 1 d . . .
H136 H 0.7901 0.3368 0.2760 0.061 Uiso 1 1 calc R . .
C137 C 0.8553(3) 0.6069(2) 0.1570(2) 0.0569(15) Uani 1 1 d . . .
H13D H 0.8531 0.6194 0.1259 0.085 Uiso 1 1 calc R . .
H13E H 0.9007 0.5907 0.1568 0.085 Uiso 1 1 calc R . .
H13F H 0.8348 0.6377 0.1800 0.085 Uiso 1 1 calc R . .
C138 C 0.9989(3) 0.3396(2) 0.25433(19) 0.0547(14) Uani 1 1 d . . .
H13G H 1.0272 0.3167 0.2265 0.082 Uiso 1 1 calc R . .
H13H H 0.9989 0.3183 0.2821 0.082 Uiso 1 1 calc R . .
H13I H 1.0148 0.3699 0.2575 0.082 Uiso 1 1 calc R . .
C139 C 0.5214(2) 0.3847(2) 0.36109(17) 0.0451(13) Uani 1 1 d . . .
H13J H 0.4926 0.3642 0.3585 0.068 Uiso 1 1 calc R . .
H13K H 0.4984 0.4235 0.3621 0.068 Uiso 1 1 calc R . .
H13L H 0.5349 0.3760 0.3897 0.068 Uiso 1 1 calc R . .
C140 C 0.5793(2) 0.3703(2) 0.32006(17) 0.0433(12) Uani 1 1 d . . .
C141 C 0.6111(3) 0.3239(2) 0.29107(19) 0.0512(14) Uani 1 1 d . . .
C142 C 0.6641(3) 0.3333(2) 0.25640(18) 0.0516(14) Uani 1 1 d . . .
C143 C 0.7216(3) 0.2973(2) 0.21862(18) 0.0528(14) Uani 1 1 d . . .
H14A H 0.7518 0.3174 0.2051 0.079 Uiso 1 1 calc R . .
H14B H 0.7058 0.2865 0.1940 0.079 Uiso 1 1 calc R . .
H14C H 0.7437 0.2651 0.2326 0.079 Uiso 1 1 calc R . .
C144 C 0.5909(3) 0.2705(2) 0.29400(18) 0.0517(14) Uani 1 1 d . . .
H14D H 0.5517 0.2779 0.2829 0.062 Uiso 1 1 calc R . .
H14E H 0.6261 0.2422 0.2724 0.062 Uiso 1 1 calc R . .
C145 C 0.5772(3) 0.2486(2) 0.34259(19) 0.0536(14) Uani 1 1 d . . .
C146 C 0.6248(3) 0.2324(2) 0.3669(2) 0.0553(14) Uani 1 1 d . . .
C147 C 0.6130(3) 0.2158(2) 0.4107(2) 0.0596(15) Uani 1 1 d . . .
C148 C 0.5486(3) 0.2132(2) 0.43462(19) 0.0614(16) Uani 1 1 d . . .
C149 C 0.5046(3) 0.2232(2) 0.40977(19) 0.0573(15) Uani 1 1 d . . .
C150 C 0.5162(3) 0.2421(2) 0.3643(2) 0.0629(16) Uani 1 1 d . . .
C151 C 0.4630(2) 0.2530(2) 0.33792(18) 0.0497(13) Uani 1 1 d . . .
H15X H 0.4261 0.2428 0.3571 0.074 Uiso 1 1 calc R . .
H15Y H 0.4809 0.2316 0.3082 0.074 Uiso 1 1 calc R . .
H15Z H 0.4487 0.2915 0.3320 0.074 Uiso 1 1 calc R . .
C152 C 0.6993(2) 0.2288(2) 0.33813(18) 0.0536(14) Uani 1 1 d . . .
H15D H 0.7014 0.2651 0.3304 0.080 Uiso 1 1 calc R . .
H15E H 0.7127 0.2061 0.3093 0.080 Uiso 1 1 calc R . .
H15F H 0.7283 0.2130 0.3576 0.080 Uiso 1 1 calc R . .
C153 C 0.6621(3) 0.2169(2) 0.44047(19) 0.0608(16) Uani 1 1 d . . .
H15J H 0.6796 0.2473 0.4319 0.073 Uiso 1 1 calc R . .
H15K H 0.6396 0.2211 0.4743 0.073 Uiso 1 1 calc R . .
C154 C 0.5278(3) 0.1976(2) 0.48761(18) 0.0612(16) Uani 1 1 d . . .
H15A H 0.5619 0.1965 0.5024 0.092 Uiso 1 1 calc R . .
H15B H 0.5213 0.1621 0.4884 0.092 Uiso 1 1 calc R . .
H15C H 0.4873 0.2247 0.5045 0.092 Uiso 1 1 calc R . .
C155 C 0.4365(2) 0.2106(2) 0.43169(18) 0.0497(13) Uani 1 1 d . . .
H15L H 0.4291 0.1895 0.4079 0.060 Uiso 1 1 calc R . .
H15M H 0.4403 0.1878 0.4587 0.060 Uiso 1 1 calc R . .
C156 C 0.2904(3) 0.2127(2) 0.44253(18) 0.0519(14) Uani 1 1 d . . .
H15N H 0.2677 0.2031 0.4730 0.078 Uiso 1 1 calc R . .
H15O H 0.3270 0.1814 0.4272 0.078 Uiso 1 1 calc R . .
H15P H 0.2606 0.2238 0.4230 0.078 Uiso 1 1 calc R . .
C157 C 0.3155(3) 0.2599(2) 0.44946(18) 0.0531(14) Uani 1 1 d . . .
C158 C 0.3790(3) 0.2596(2) 0.44736(18) 0.0509(14) Uani 1 1 d . . .
C159 C 0.3730(3) 0.3116(2) 0.45977(19) 0.0538(14) Uani 1 1 d . . .
C160 C 0.4236(2) 0.3387(2) 0.46591(18) 0.0515(14) Uani 1 1 d . . .
H16A H 0.4116 0.3761 0.4565 0.077 Uiso 1 1 calc R . .
H16B H 0.4667 0.3186 0.4464 0.077 Uiso 1 1 calc R . .
H16C H 0.4239 0.3386 0.4987 0.077 Uiso 1 1 calc R . .
C161 C 0.1024(3) 0.4036(2) 0.38105(19) 0.0545(14) Uani 1 1 d . . .
H161 H 0.1396 0.4104 0.3613 0.065 Uiso 1 1 calc R . .
C162 C 0.0434(2) 0.4219(2) 0.3693(2) 0.0559(15) Uani 1 1 d . . .
H162 H 0.0412 0.4410 0.3418 0.067 Uiso 1 1 calc R . .
C163 C -0.0130(3) 0.4119(2) 0.3984(2) 0.0577(15) Uani 1 1 d . . .
C164 C -0.0090(3) 0.3839(2) 0.4398(2) 0.0588(15) Uani 1 1 d . . .
H164 H -0.0461 0.3770 0.4597 0.071 Uiso 1 1 calc R . .
C165 C 0.0508(3) 0.3663(2) 0.4510(2) 0.0593(15) Uani 1 1 d . . .
C166 C 0.0660(3) 0.3370(2) 0.4928(2) 0.0615(16) Uani 1 1 d . . .
C167 C 0.0155(3) 0.3275(3) 0.5296(2) 0.078(2) Uani 1 1 d . . .
H167 H -0.0274 0.3370 0.5269 0.093 Uiso 1 1 calc R . .
C168 C 0.0303(3) 0.3039(3) 0.5704(2) 0.0668(17) Uani 1 1 d . . .
C169 C 0.0945(3) 0.2883(2) 0.5734(2) 0.0638(16) Uani 1 1 d . . .
H169 H 0.1043 0.2713 0.6003 0.077 Uiso 1 1 calc R . .
C170 C 0.1452(3) 0.2977(2) 0.53648(19) 0.0617(16) Uani 1 1 d . . .
H170 H 0.1883 0.2878 0.5390 0.074 Uiso 1 1 calc R . .
C171 C -0.0773(3) 0.4306(3) 0.3853(2) 0.0710(18) Uani 1 1 d . . .
H17D H -0.1042 0.4082 0.4001 0.106 Uiso 1 1 calc R . .
H17E H -0.0686 0.4271 0.3513 0.106 Uiso 1 1 calc R . .
H17F H -0.1001 0.4685 0.3962 0.106 Uiso 1 1 calc R . .
C172 C -0.0238(3) 0.2935(2) 0.6097(2) 0.0749(19) Uani 1 1 d . . .
H17G H -0.0050 0.2642 0.6281 0.112 Uiso 1 1 calc R . .
H17H H -0.0538 0.2832 0.5962 0.112 Uiso 1 1 calc R . .
H17I H -0.0473 0.3264 0.6300 0.112 Uiso 1 1 calc R . .
C173 C 0.2257(3) 0.5355(2) 0.4198(2) 0.0608(16) Uani 1 1 d . . .
H173 H 0.2292 0.5168 0.3919 0.073 Uiso 1 1 calc R . .
C174 C 0.2042(3) 0.5907(3) 0.4236(2) 0.0663(17) Uani 1 1 d . . .
H174 H 0.1909 0.6099 0.3986 0.080 Uiso 1 1 calc R . .
C175 C 0.2012(3) 0.6214(2) 0.4656(2) 0.0636(16) Uani 1 1 d . . .
C176 C 0.2189(3) 0.5922(2) 0.5017(2) 0.0620(16) Uani 1 1 d . . .
H176 H 0.2189 0.6099 0.5289 0.074 Uiso 1 1 calc R . .
C177 C 0.2373(2) 0.5343(2) 0.49743(18) 0.0471(13) Uani 1 1 d . . .
C178 C 0.2514(2) 0.4995(2) 0.53624(18) 0.0448(13) Uani 1 1 d . . .
C179 C 0.2453(3) 0.5192(2) 0.58220(19) 0.0581(15) Uani 1 1 d . . .
H179 H 0.2315 0.5569 0.5896 0.070 Uiso 1 1 calc R . .
C180 C 0.2592(3) 0.4833(3) 0.6156(2) 0.0675(17) Uani 1 1 d . . .
C181 C 0.2765(3) 0.4313(3) 0.6052(2) 0.0665(18) Uani 1 1 d . . .
H181 H 0.2856 0.4072 0.6288 0.080 Uiso 1 1 calc R . .
C182 C 0.2828(3) 0.4081(3) 0.5590(2) 0.0650(17) Uani 1 1 d . . .
H182 H 0.2936 0.3704 0.5524 0.078 Uiso 1 1 calc R . .
C183 C 0.1863(3) 0.6827(2) 0.4664(2) 0.082(2) Uani 1 1 d . . .
H18C H 0.1772 0.6967 0.4985 0.123 Uiso 1 1 calc R . .
H18D H 0.1485 0.6990 0.4548 0.123 Uiso 1 1 calc R . .
H18E H 0.2237 0.6917 0.4465 0.123 Uiso 1 1 calc R . .
C184 C 0.2521(3) 0.5032(2) 0.66568(17) 0.0616(16) Uani 1 1 d . . .
H18F H 0.2673 0.4721 0.6836 0.092 Uiso 1 1 calc R . .
H18G H 0.2064 0.5225 0.6809 0.092 Uiso 1 1 calc R . .
H18H H 0.2779 0.5275 0.6643 0.092 Uiso 1 1 calc R . .
C185 C 0.3594(3) 0.4513(2) 0.34184(19) 0.0578(15) Uani 1 1 d . . .
H18I H 0.3312 0.4885 0.3423 0.087 Uiso 1 1 calc R . .
H18J H 0.3928 0.4422 0.3118 0.087 Uiso 1 1 calc R . .
H18K H 0.3799 0.4479 0.3673 0.087 Uiso 1 1 calc R . .
C186 C 0.3165(3) 0.4102(2) 0.3487(2) 0.0498(14) Uani 1 1 d . . .
C187 C 0.3181(2) 0.3752(2) 0.31493(18) 0.0479(13) Uani 1 1 d . . .
C188 C 0.2718(2) 0.3459(2) 0.33895(18) 0.0458(13) Uani 1 1 d . . .
C189 C 0.2419(2) 0.3063(2) 0.32517(17) 0.0436(12) Uani 1 1 d . . .
H18L H 0.2747 0.2707 0.3171 0.065 Uiso 1 1 calc R . .
H18M H 0.2257 0.3190 0.2981 0.065 Uiso 1 1 calc R . .
H18N H 0.2060 0.3036 0.3514 0.065 Uiso 1 1 calc R . .
C190 C 0.5531(3) 0.0894(2) 0.33877(18) 0.0495(13) Uani 1 1 d . . .
H19A H 0.5281 0.0684 0.3588 0.074 Uiso 1 1 calc R . .
H19B H 0.5273 0.1277 0.3426 0.074 Uiso 1 1 calc R . .
H19C H 0.5930 0.0849 0.3477 0.074 Uiso 1 1 calc R . .
C191 C 0.5699(3) 0.0700(2) 0.2887(2) 0.0529(14) Uani 1 1 d . . .
C192 C 0.5927(3) 0.0933(2) 0.2477(2) 0.0543(14) Uani 1 1 d . . .
C193 C 0.5949(3) 0.0584(2) 0.2105(2) 0.0489(13) Uani 1 1 d . . .
C194 C 0.6148(3) 0.0629(2) 0.15958(18) 0.0520(14) Uani 1 1 d . . .
H19D H 0.6620 0.0534 0.1486 0.078 Uiso 1 1 calc R . .
H19E H 0.5952 0.1001 0.1520 0.078 Uiso 1 1 calc R . .
H19F H 0.6003 0.0383 0.1442 0.078 Uiso 1 1 calc R . .
C195 C 0.6150(3) -0.0610(2) 0.3485(2) 0.0602(16) Uani 1 1 d . . .
H195 H 0.6357 -0.0443 0.3228 0.072 Uiso 1 1 calc R . .
C196 C 0.6498(3) -0.0883(2) 0.3780(2) 0.0573(15) Uani 1 1 d . . .
H196 H 0.6909 -0.0847 0.3761 0.069 Uiso 1 1 calc R . .
C197 C 0.6252(3) -0.1216(2) 0.4111(2) 0.0589(15) Uani 1 1 d . . .
C198 C 0.5620(3) -0.1154(3) 0.4171(2) 0.0638(16) Uani 1 1 d . . .
H198 H 0.5400 -0.1299 0.4437 0.077 Uiso 1 1 calc R . .
C199 C 0.5260(3) -0.0882(2) 0.38579(19) 0.0587(16) Uani 1 1 d . . .
C200 C 0.4590(3) -0.0852(2) 0.3889(2) 0.0645(17) Uani 1 1 d . . .
C201 C 0.4179(3) -0.1112(2) 0.4186(2) 0.0564(15) Uani 1 1 d . . .
H201 H 0.4342 -0.1337 0.4410 0.068 Uiso 1 1 calc R . .
C202 C 0.3533(3) -0.1058(2) 0.41728(19) 0.0553(15) Uani 1 1 d . . .
C203 C 0.3304(3) -0.0701(2) 0.3861(2) 0.0609(16) Uani 1 1 d . . .
H203 H 0.2874 -0.0637 0.3843 0.073 Uiso 1 1 calc R . .
C204 C 0.3722(3) -0.0412(2) 0.3553(2) 0.0598(16) Uani 1 1 d . . .
H204 H 0.3553 -0.0171 0.3341 0.072 Uiso 1 1 calc R . .
C205 C 0.6609(3) -0.1521(2) 0.44518(19) 0.0633(16) Uani 1 1 d . . .
H20A H 0.6497 -0.1290 0.4735 0.095 Uiso 1 1 calc R . .
H20B H 0.7077 -0.1623 0.4306 0.095 Uiso 1 1 calc R . .
H20C H 0.6485 -0.1848 0.4534 0.095 Uiso 1 1 calc R . .
C206 C 0.3131(3) -0.1397(2) 0.44564(19) 0.0593(15) Uani 1 1 d . . .
H20D H 0.2907 -0.1224 0.4770 0.089 Uiso 1 1 calc R . .
H20E H 0.3417 -0.1759 0.4481 0.089 Uiso 1 1 calc R . .
H20F H 0.2812 -0.1423 0.4300 0.089 Uiso 1 1 calc R . .
C207 C 0.6754(3) -0.0835(2) 0.16609(19) 0.0596(16) Uani 1 1 d . . .
H207 H 0.6807 -0.0558 0.1831 0.072 Uiso 1 1 calc R . .
C208 C 0.7311(3) -0.1248(2) 0.13928(19) 0.0577(15) Uani 1 1 d . . .
H208 H 0.7732 -0.1248 0.1391 0.069 Uiso 1 1 calc R . .
C209 C 0.7241(3) -0.1654(2) 0.1132(2) 0.0641(16) Uani 1 1 d . . .
C210 C 0.6599(3) -0.1651(2) 0.1152(2) 0.0610(16) Uani 1 1 d . . .
H210 H 0.6542 -0.1928 0.0987 0.073 Uiso 1 1 calc R . .
C211 C 0.6045(3) -0.1237(2) 0.1416(2) 0.0561(15) Uani 1 1 d . . .
C212 C 0.5401(3) -0.1211(2) 0.1460(2) 0.0577(15) Uani 1 1 d . . .
C213 C 0.5218(3) -0.1605(2) 0.1269(2) 0.0613(16) Uani 1 1 d . . .
H213 H 0.5539 -0.1903 0.1082 0.074 Uiso 1 1 calc R . .
C214 C 0.4558(3) -0.1553(2) 0.13572(19) 0.0555(15) Uani 1 1 d . . .
C215 C 0.4069(3) -0.1117(2) 0.1654(2) 0.0589(15) Uani 1 1 d . . .
H215 H 0.3624 -0.1088 0.1720 0.071 Uiso 1 1 calc R . .
C216 C 0.4264(3) -0.0737(2) 0.1846(2) 0.0567(15) Uani 1 1 d . . .
H216 H 0.3946 -0.0440 0.2036 0.068 Uiso 1 1 calc R . .
C217 C 0.7793(3) -0.2119(2) 0.0834(2) 0.0724(18) Uani 1 1 d . . .
H21A H 0.8031 -0.1975 0.0560 0.109 Uiso 1 1 calc R . .
H21B H 0.7613 -0.2376 0.0731 0.109 Uiso 1 1 calc R . .
H21C H 0.8087 -0.2301 0.1019 0.109 Uiso 1 1 calc R . .
C218 C 0.4338(3) -0.1970(2) 0.1144(2) 0.0621(16) Uani 1 1 d . . .
H21D H 0.4699 -0.2188 0.0892 0.093 Uiso 1 1 calc R . .
H21E H 0.3974 -0.1781 0.1020 0.093 Uiso 1 1 calc R . .
H21F H 0.4202 -0.2206 0.1387 0.093 Uiso 1 1 calc R . .
C219 C 0.3590(3) 0.1039(2) 0.35079(19) 0.0628(16) Uani 1 1 d . . .
H21G H 0.3852 0.0779 0.3679 0.094 Uiso 1 1 calc R . .
H21H H 0.3131 0.1087 0.3653 0.094 Uiso 1 1 calc R . .
H21I H 0.3670 0.1386 0.3517 0.094 Uiso 1 1 calc R . .
C220 C 0.3778(3) 0.0824(2) 0.2993(2) 0.0641(17) Uani 1 1 d . . .
C221 C 0.3559(3) 0.1013(2) 0.2619(2) 0.0654(17) Uani 1 1 d . . .
C222 C 0.3977(3) 0.0629(2) 0.22396(19) 0.0544(14) Uani 1 1 d . . .
C223 C 0.3916(3) 0.0653(2) 0.17259(19) 0.0616(16) Uani 1 1 d . . .
H22A H 0.4052 0.0954 0.1575 0.092 Uiso 1 1 calc R . .
H22B H 0.3465 0.0707 0.1732 0.092 Uiso 1 1 calc R . .
H22C H 0.4193 0.0314 0.1550 0.092 Uiso 1 1 calc R . .
C224 C 0.6652(3) 0.0852(2) 0.4177(2) 0.0631(16) Uani 1 1 d . . .
H22D H 0.6228 0.1131 0.4246 0.095 Uiso 1 1 calc R . .
H22E H 0.6645 0.0582 0.4414 0.095 Uiso 1 1 calc R . .
H22F H 0.6749 0.0677 0.3868 0.095 Uiso 1 1 calc R . .
C225 C 0.7201(3) 0.1126(3) 0.4182(2) 0.0692(18) Uani 1 1 d . . .
C226 C 0.7160(3) 0.1636(3) 0.4289(2) 0.0619(16) Uani 1 1 d . . .
C227 C 0.7764(3) 0.1634(3) 0.4334(2) 0.0679(17) Uani 1 1 d . . .
C228 C 0.8017(3) 0.2081(3) 0.4511(2) 0.0756(19) Uani 1 1 d . . .
H22G H 0.8307 0.2192 0.4245 0.113 Uiso 1 1 calc R . .
H22H H 0.8253 0.1928 0.4741 0.113 Uiso 1 1 calc R . .
H22I H 0.7647 0.2395 0.4656 0.113 Uiso 1 1 calc R . .
N1 N 0.9344(2) 0.08340(19) 0.46422(17) 0.0690(14) Uani 1 1 d . . .
N2 N 1.0113(2) 0.0738(2) 0.37938(17) 0.0693(14) Uani 1 1 d . . .
N3 N 0.5530(2) -0.05716(19) 0.35482(16) 0.0636(14) Uani 1 1 d . . .
N4 N 0.4315(3) -0.0483(2) 0.35668(17) 0.0648(13) Uani 1 1 d . . .
N5 N 0.6128(2) -0.08376(17) 0.16733(14) 0.0496(11) Uani 1 1 d . . .
N6 N 0.4925(2) -0.07847(17) 0.17607(15) 0.0503(11) Uani 1 1 d . . .
N7 N 0.6916(2) 0.08082(18) -0.04313(15) 0.0553(12) Uani 1 1 d . . .
N8 N 0.5639(2) 0.10456(17) -0.02036(14) 0.0493(11) Uani 1 1 d . . .
N9 N 0.6734(2) 0.27729(16) -0.07707(15) 0.0497(11) Uani 1 1 d . . .
N10 N 0.5436(2) 0.31035(16) -0.05020(14) 0.0459(10) Uani 1 1 d . . .
N11 N 0.0020(2) 0.45698(17) 0.09028(14) 0.0481(11) Uani 1 1 d . . .
N12 N 0.0404(2) 0.54289(16) 0.07386(14) 0.0471(11) Uani 1 1 d . . .
N13 N 0.1070(2) 0.37517(17) 0.42223(16) 0.0520(11) Uani 1 1 d . . .
N14 N 0.1302(2) 0.32191(19) 0.49627(15) 0.0543(12) Uani 1 1 d . . .
N15 N 0.2423(2) 0.50697(17) 0.45704(16) 0.0484(11) Uani 1 1 d . . .
N16 N 0.2714(2) 0.44625(18) 0.52592(16) 0.0523(11) Uani 1 1 d . . .
N17 N 0.5596(2) 0.57093(18) 0.32761(16) 0.0588(12) Uani 1 1 d . . .
N18 N 0.5898(2) 0.49225(17) 0.38215(15) 0.0511(11) Uani 1 1 d . . .
N19 N 0.7604(2) 0.48788(17) 0.19785(15) 0.0549(12) Uani 1 1 d . . .
N20 N 0.8009(2) 0.39929(17) 0.24275(14) 0.0467(11) Uani 1 1 d . . .
N21 N 0.9025(2) 0.1019(2) 0.33081(16) 0.0652(14) Uani 1 1 d . . .
N22 N 0.8886(2) 0.1515(2) 0.31536(16) 0.0720(15) Uani 1 1 d . . .
N23 N 0.5533(2) 0.02569(17) 0.27776(16) 0.0529(12) Uani 1 1 d . . .
N24 N 0.5708(2) 0.02054(19) 0.22815(16) 0.0521(11) Uani 1 1 d . . .
N25 N 0.4278(2) 0.03621(19) 0.28547(17) 0.0626(13) Uani 1 1 d . . .
N26 N 0.4395(2) 0.02572(18) 0.23688(15) 0.0493(11) Uani 1 1 d . . .
N27 N 0.6860(2) 0.16961(17) 0.02199(15) 0.0525(11) Uani 1 1 d . . .
N28 N 0.6824(2) 0.22451(18) 0.01500(15) 0.0546(12) Uani 1 1 d . . .
N29 N 0.55019(19) 0.19816(17) 0.04591(15) 0.0489(11) Uani 1 1 d . . .
N30 N 0.54632(19) 0.25310(17) 0.04215(14) 0.0473(11) Uani 1 1 d . . .
N31 N 0.1145(2) 0.40092(17) 0.13200(15) 0.0514(11) Uani 1 1 d . . .
N32 N 0.1174(2) 0.39880(18) 0.17909(15) 0.0531(12) Uani 1 1 d . . .
H32 H 0.0983 0.4250 0.2009 0.064 Uiso 1 1 calc R . .
N33 N 0.1568(2) 0.49462(16) 0.11264(14) 0.0474(11) Uani 1 1 d . . .
N34 N 0.2191(2) 0.46473(17) 0.08904(15) 0.0514(11) Uani 1 1 d . . .
N35 N 0.2743(2) 0.31195(17) 0.46035(14) 0.0460(11) Uani 1 1 d . . .
N36 N 0.3109(2) 0.34464(18) 0.46314(15) 0.0531(12) Uani 1 1 d . . .
N37 N 0.2481(2) 0.36845(17) 0.38597(15) 0.0495(11) Uani 1 1 d . . .
N38 N 0.2783(2) 0.40671(18) 0.39008(16) 0.0481(11) Uani 1 1 d . . .
N39 N 0.6138(2) 0.40873(18) 0.30320(15) 0.0508(11) Uani 1 1 d . . .
N40 N 0.6645(2) 0.38544(18) 0.26647(16) 0.0513(11) Uani 1 1 d . . .
N41 N 0.5753(2) 0.49369(19) 0.24762(16) 0.0601(12) Uani 1 1 d . . .
N42 N 0.6279(2) 0.46729(19) 0.21290(16) 0.0605(13) Uani 1 1 d . . .
N43 N 0.8178(3) 0.1117(2) 0.42380(17) 0.0693(14) Uani 1 1 d . . .
N44 N 0.7833(3) 0.0795(2) 0.41419(17) 0.0721(15) Uani 1 1 d . . .
H44A H 0.7985 0.0446 0.4069 0.087 Uiso 1 1 calc R . .
N45 N 0.3444(3) 0.2284(2) 0.00649(19) 0.0650(14) Uani 1 1 d . . .
N46 N 0.0344(3) 0.1592(2) 0.56307(19) 0.0699(15) Uani 1 1 d . . .
N47 N 0.4485(3) 0.0378(2) 0.4614(2) 0.0719(16) Uani 1 1 d . . .
N48 N 0.0012(3) 0.4978(2) 0.2544(2) 0.0695(15) Uani 1 1 d . . .
N49 N 0.0651(3) 0.4400(2) 0.58274(19) 0.0709(15) Uani 1 1 d . . .
N50 N 0.0952(3) 0.5633(2) 0.4085(2) 0.0691(14) Uani 1 1 d . . .
N51 N 0.0927(3) 0.7651(2) 0.0797(2) 0.0758(15) Uani 1 1 d . . .
N52 N 0.2683(3) 0.6187(2) 0.30968(16) 0.0556(12) Uani 1 1 d . . .
N53 N 0.2028(2) 0.67155(19) 0.62496(16) 0.0486(11) Uani 1 1 d . . .
N54 N 0.6012(3) 0.3382(3) 0.5297(2) 0.0796(17) Uani 1 1 d . . .
O1 O 0.0360(2) 0.12460(18) 0.59351(14) 0.0665(11) Uani 1 1 d . . .
O2 O -0.0134(2) 0.17447(16) 0.54469(13) 0.0612(10) Uani 1 1 d . . .
O3 O 0.0843(2) 0.17464(16) 0.54720(14) 0.0622(10) Uani 1 1 d . . .
O4 O 0.04088(19) 0.46038(15) 0.55105(14) 0.0583(10) Uani 1 1 d . . .
O5 O 0.02991(19) 0.43212(14) 0.62223(14) 0.0571(10) Uani 1 1 d . . .
O6 O 0.1258(2) 0.42900(15) 0.57525(14) 0.0651(11) Uani 1 1 d . . .
O7 O 0.0761(2) 0.53621(18) 0.44286(15) 0.0677(11) Uani 1 1 d . . .
O8 O 0.1017(2) 0.60862(18) 0.41466(14) 0.0677(11) Uani 1 1 d . . .
O9 O 0.10940(19) 0.54542(15) 0.36632(15) 0.0658(11) Uani 1 1 d . . .
O10 O -0.0482(2) 0.51489(16) 0.28903(15) 0.0702(11) Uani 1 1 d . . .
O11 O 0.0564(2) 0.47405(16) 0.26191(13) 0.0622(10) Uani 1 1 d . . .
O12 O -0.00494(19) 0.50443(16) 0.21463(16) 0.0656(11) Uani 1 1 d . . .
O13 O 0.35825(18) 0.19724(15) 0.03992(14) 0.0572(10) Uani 1 1 d . . .
O14 O 0.2923(2) 0.23374(16) -0.00321(14) 0.0689(12) Uani 1 1 d . . .
O15 O 0.3802(2) 0.25296(18) -0.01397(15) 0.0772(13) Uani 1 1 d . . .
O16 O 0.0487(2) 0.75801(18) 0.06417(15) 0.0723(12) Uani 1 1 d . . .
O17 O 0.0741(2) 0.79086(16) 0.11898(15) 0.0680(11) Uani 1 1 d . . .
O18 O 0.1522(2) 0.74591(17) 0.05628(15) 0.0738(12) Uani 1 1 d . . .
O19 O 0.20804(19) 0.64501(15) 0.32576(14) 0.0692(11) Uani 1 1 d . . .
O20 O 0.28374(18) 0.57695(16) 0.28188(13) 0.0639(11) Uani 1 1 d . . .
O21 O 0.3089(2) 0.63410(16) 0.32243(14) 0.0661(11) Uani 1 1 d . . .
O22 O 0.4219(2) 0.05903(18) 0.43706(15) 0.0702(12) Uani 1 1 d . . .
O23 O 0.44261(19) 0.00194(18) 0.48803(15) 0.0652(11) Uani 1 1 d . . .
O24 O 0.5003(2) 0.05191(16) 0.46161(14) 0.0676(11) Uani 1 1 d . . .
O25 O 0.19052(18) 0.71607(16) 0.64785(13) 0.0622(10) Uani 1 1 d . . .
O26 O 0.25574(19) 0.63486(16) 0.61996(13) 0.0638(11) Uani 1 1 d . . .
O27 O 0.16289(19) 0.66230(15) 0.60736(15) 0.0631(10) Uani 1 1 d . . .
O28 O 0.5591(2) 0.34550(17) 0.50362(15) 0.0710(12) Uani 1 1 d . . .
O29 O 0.6307(2) 0.3688(2) 0.53382(15) 0.0774(13) Uani 1 1 d . . .
O30 O 0.61094(19) 0.29313(19) 0.55124(15) 0.0752(12) Uani 1 1 d . . .
Pd1 Pd 0.91678(2) 0.091096(19) 0.400670(16) 0.06624(15) Uani 1 1 d . . .
Pd2 Pd 0.49424(2) -0.011730(18) 0.317502(15) 0.05558(12) Uani 1 1 d . . .
Pd3 Pd 0.52858(2) -0.028404(17) 0.203057(14) 0.04930(11) Uani 1 1 d . . .
Pd4 Pd 0.62143(2) 0.140030(16) 0.001898(14) 0.04795(11) Uani 1 1 d . . .
Pd5 Pd 0.61131(2) 0.266971(16) -0.016539(14) 0.04556(11) Uani 1 1 d . . .
Pd6 Pd 0.079562(19) 0.473836(16) 0.103554(14) 0.04454(11) Uani 1 1 d . . .
Pd7 Pd 0.19054(2) 0.345397(16) 0.441883(14) 0.04540(11) Uani 1 1 d . . .
Pd8 Pd 0.27494(2) 0.425515(17) 0.458610(15) 0.05235(12) Uani 1 1 d . . .
Pd9 Pd 0.58446(2) 0.490715(18) 0.315251(15) 0.05450(12) Uani 1 1 d . . .
Pd10 Pd 0.71329(2) 0.433233(17) 0.229266(15) 0.04871(11) Uani 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
C1 N1 1.373(6) . ?
C1 C2 1.434(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.377(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.361(7) . ?
C3 C11 1.525(8) . ?
C4 C5 1.414(8) . ?
C4 H4 0.9300 . ?
C5 N1 1.381(6) . ?
C5 C6 1.480(8) . ?
C6 C7 1.396(8) . ?
C6 N2 1.399(6) . ?
C7 C8 1.370(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.379(8) . ?
C8 C12 1.494(8) . ?
C9 C10 1.378(7) . ?
C9 H9 0.9300 . ?
C10 N2 1.390(5) . ?
C10 H10 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.458(8) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 N21 1.295(6) . ?
C14 C15 1.340(8) . ?
C15 C16 1.343(8) . ?
C15 C18 1.616(9) . ?
C16 N22 1.319(6) . ?
C16 C17 1.512(9) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.562(8) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.390(8) . ?
C19 C24 1.390(7) . ?
C20 C21 1.390(8) . ?
C20 C26 1.580(8) . ?
C21 C22 1.390(7) . ?
C21 C27 1.527(8) . ?
C22 C23 1.390(7) . ?
C22 C28 1.537(7) . ?
C23 C24 1.390(7) . ?
C23 C29 1.497(7) . ?
C24 C25 1.532(7) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C32 1.465(8) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C192 1.482(6) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 C31 1.443(7) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 N27 1.339(5) . ?
C31 C32 1.376(8) . ?
C32 C33 1.404(8) . ?
C33 N28 1.266(6) . ?
C33 C34 1.425(7) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 C36 1.392(7) . ?
C35 N7 1.401(5) . ?
C35 H35 0.9300 . ?
C36 C37 1.387(8) . ?
C36 H36 0.9300 . ?
C37 C38 1.403(7) . ?
C37 C45 1.552(7) . ?
C38 C39 1.398(7) . ?
C38 H38 0.9300 . ?
C39 C40 1.373(7) . ?
C39 N7 1.378(5) . ?
C40 N8 1.382(5) . ?
C40 C41 1.406(7) . ?
C41 C42 1.364(7) . ?
C41 H41 0.9300 . ?
C42 C43 1.412(7) . ?
C42 C46 1.508(7) . ?
C43 C44 1.443(7) . ?
C43 H43 0.9300 . ?
C44 N8 1.338(5) . ?
C44 H44 0.9300 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 N9 1.244(5) . ?
C47 C48 1.471(7) . ?
C47 H47 0.9300 . ?
C48 C49 1.312(7) . ?
C48 H48 0.9300 . ?
C49 C50 1.299(7) . ?
C49 C57 1.522(7) . ?
C50 C51 1.304(7) . ?
C50 H50 0.9300 . ?
C51 N9 1.354(5) . ?
C51 C52 1.428(7) . ?
C52 N10 1.361(5) . ?
C52 C53 1.498(7) . ?
C53 C54 1.344(7) . ?
C53 H53 0.9300 . ?
C54 C55 1.453(8) . ?
C54 C58 1.490(7) . ?
C55 C56 1.413(7) . ?
C55 H55 0.9300 . ?
C56 N10 1.338(5) . ?
C56 H56 0.9300 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 C60 1.431(7) . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 N29 1.436(5) . ?
C60 C61 1.453(7) . ?
C61 C62 1.393(7) . ?
C61 C64 1.470(7) . ?
C62 N30 1.268(5) . ?
C62 C63 1.484(7) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 C65 1.552(7) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C65 C66 1.375(8) . ?
C65 C70 1.452(7) . ?
C66 C67 1.385(8) . ?
C66 C72 1.524(8) . ?
C67 C68 1.424(8) . ?
C67 C73 1.528(8) . ?
C68 C69 1.437(8) . ?
C68 C74 1.504(8) . ?
C69 C70 1.362(7) . ?
C69 C75 1.484(7) . ?
C70 C71 1.484(7) . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
C73 C221 1.504(6) . ?
C73 H73A 0.9700 . ?
C73 H73B 0.9700 . ?
C74 H74D 0.9600 . ?
C74 H74E 0.9600 . ?
C74 H74F 0.9600 . ?
C75 C78 1.490(7) . ?
C75 H75A 0.9700 . ?
C75 H75B 0.9700 . ?
C76 C77 1.509(7) . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C77 N31 1.317(5) . ?
C77 C78 1.376(7) . ?
C78 C79 1.346(7) . ?
C79 N32 1.371(5) . ?
C79 C80 1.472(7) . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 N11 1.300(5) . ?
C81 C82 1.387(8) . ?
C81 H81 0.9300 . ?
C82 C83 1.367(8) . ?
C82 H82 0.9300 . ?
C83 C84 1.472(8) . ?
C83 C91 1.480(8) . ?
C84 C85 1.390(7) . ?
C84 H84 0.9300 . ?
C85 N11 1.295(5) . ?
C85 C86 1.492(7) . ?
C86 N12 1.327(5) . ?
C86 C87 1.336(7) . ?
C87 C88 1.354(7) . ?
C87 H87 0.9300 . ?
C88 C89 1.481(7) . ?
C88 C92 1.484(7) . ?
C89 C90 1.394(7) . ?
C89 H89 0.9300 . ?
C90 N12 1.305(5) . ?
C90 H90 0.9300 . ?
C91 H91A 0.9600 . ?
C91 H91B 0.9600 . ?
C91 H91C 0.9600 . ?
C92 H92A 0.9600 . ?
C92 H92B 0.9600 . ?
C92 H92C 0.9600 . ?
C93 C94 1.499(7) . ?
C93 H93A 0.9600 . ?
C93 H93B 0.9600 . ?
C93 H93C 0.9600 . ?
C94 N33 1.329(5) . ?
C94 C95 1.497(7) . ?
C95 C96 1.330(7) . ?
C95 C98 1.507(8) . ?
C96 N34 1.335(5) . ?
C96 C97 1.457(7) . ?
C97 H97A 0.9600 . ?
C97 H97B 0.9600 . ?
C97 H97C 0.9600 . ?
C98 C99 1.560(8) . ?
C98 H98A 0.9700 . ?
C98 H98B 0.9700 . ?
C99 C104 1.377(8) . ?
C99 C100 1.386(7) . ?
C100 C101 1.447(7) . ?
C100 C106 1.535(7) . ?
C101 C102 1.330(7) . ?
C101 C107 1.500(7) . ?
C102 C103 1.406(7) . ?
C102 C108 1.577(7) . ?
C103 C104 1.399(7) . ?
C103 C109 1.600(7) . ?
C104 C105 1.545(8) . ?
C105 H10N 0.9600 . ?
C105 H10O 0.9600 . ?
C105 H10P 0.9600 . ?
C106 H10D 0.9600 . ?
C106 H10E 0.9600 . ?
C106 H10F 0.9600 . ?
C107 C187 1.503(5) . ?
C107 H10G 0.9700 . ?
C107 H10H 0.9700 . ?
C108 H10I 0.9600 . ?
C108 H10J 0.9600 . ?
C108 H10K 0.9600 . ?
C109 C112 1.489(7) . ?
C109 H10L 0.9700 . ?
C109 H10M 0.9700 . ?
C110 C111 1.468(7) . ?
C110 H11D 0.9600 . ?
C110 H11E 0.9600 . ?
C110 H11F 0.9600 . ?
C111 C112 1.356(7) . ?
C111 N41 1.367(6) . ?
C112 C113 1.396(7) . ?
C113 N42 1.305(5) . ?
C113 C114 1.575(7) . ?
C114 H11G 0.9600 . ?
C114 H11H 0.9600 . ?
C114 H11I 0.9600 . ?
C115 C116 1.387(8) . ?
C115 N17 1.421(6) . ?
C115 H115 0.9300 . ?
C116 C117 1.266(8) . ?
C116 H116 0.9300 . ?
C117 C118 1.348(8) . ?
C117 C125 1.500(8) . ?
C118 C119 1.438(8) . ?
C118 H118 0.9300 . ?
C119 N17 1.350(5) . ?
C119 C120 1.434(8) . ?
C120 N18 1.341(5) . ?
C120 C121 1.418(7) . ?
C121 C122 1.341(7) . ?
C121 H121 0.9300 . ?
C122 C123 1.385(7) . ?
C122 C126 1.517(8) . ?
C123 C124 1.403(7) . ?
C123 H123 0.9300 . ?
C124 N18 1.327(5) . ?
C124 H124 0.9300 . ?
C125 H12D 0.9600 . ?
C125 H12E 0.9600 . ?
C125 H12F 0.9600 . ?
C126 H12G 0.9600 . ?
C126 H12H 0.9600 . ?
C126 H12I 0.9600 . ?
C127 N19 1.323(5) . ?
C127 C128 1.458(7) . ?
C127 H127 0.9300 . ?
C128 C129 1.323(7) . ?
C128 H128 0.9300 . ?
C129 C130 1.402(8) . ?
C129 C137 1.500(7) . ?
C130 C131 1.347(7) . ?
C130 H130 0.9300 . ?
C131 N19 1.281(6) . ?
C131 C132 1.445(7) . ?
C132 C133 1.373(7) . ?
C132 N20 1.412(5) . ?
C133 C134 1.318(7) . ?
C133 H133 0.9300 . ?
C134 C135 1.468(8) . ?
C134 C138 1.490(7) . ?
C135 C136 1.357(7) . ?
C135 H135 0.9300 . ?
C136 N20 1.275(5) . ?
C136 H136 0.9300 . ?
C137 H13D 0.9600 . ?
C137 H13E 0.9600 . ?
C137 H13F 0.9600 . ?
C138 H13G 0.9600 . ?
C138 H13H 0.9600 . ?
C138 H13I 0.9600 . ?
C139 C140 1.454(7) . ?
C139 H13J 0.9600 . ?
C139 H13K 0.9600 . ?
C139 H13L 0.9600 . ?
C140 C141 1.358(7) . ?
C140 N39 1.419(5) . ?
C141 C142 1.404(7) . ?
C141 C144 1.554(7) . ?
C142 N40 1.376(5) . ?
C142 C143 1.502(7) . ?
C143 H14A 0.9600 . ?
C143 H14B 0.9600 . ?
C143 H14C 0.9600 . ?
C144 C145 1.494(7) . ?
C144 H14D 0.9700 . ?
C144 H14E 0.9700 . ?
C145 C146 1.379(8) . ?
C145 C150 1.385(8) . ?
C146 C147 1.319(8) . ?
C146 C152 1.610(7) . ?
C147 C148 1.427(8) . ?
C147 C153 1.572(8) . ?
C148 C149 1.326(8) . ?
C148 C154 1.564(7) . ?
C149 C150 1.381(7) . ?
C149 C155 1.598(7) . ?
C150 C151 1.528(7) . ?
C151 H15X 0.9600 . ?
C151 H15Y 0.9600 . ?
C151 H15Z 0.9600 . ?
C152 H15D 0.9600 . ?
C152 H15E 0.9600 . ?
C152 H15F 0.9600 . ?
C153 C226 1.483(6) . ?
C153 H15J 0.9700 . ?
C153 H15K 0.9700 . ?
C154 H15A 0.9600 . ?
C154 H15B 0.9600 . ?
C154 H15C 0.9600 . ?
C155 C158 1.460(7) . ?
C155 H15L 0.9700 . ?
C155 H15M 0.9700 . ?
C156 C157 1.517(7) . ?
C156 H15N 0.9600 . ?
C156 H15O 0.9600 . ?
C156 H15P 0.9600 . ?
C157 N35 1.349(5) . ?
C157 C158 1.387(7) . ?
C158 C159 1.346(7) . ?
C159 N36 1.352(5) . ?
C159 C160 1.538(7) . ?
C160 H16A 0.9600 . ?
C160 H16B 0.9600 . ?
C160 H16C 0.9600 . ?
C161 C162 1.377(7) . ?
C161 N13 1.396(7) . ?
C161 H161 0.9300 . ?
C162 C163 1.398(8) . ?
C162 H162 0.9300 . ?
C163 C164 1.393(8) . ?
C163 C171 1.505(8) . ?
C164 C165 1.387(8) . ?
C164 H164 0.9300 . ?
C165 N13 1.377(7) . ?
C165 C166 1.474(8) . ?
C166 N14 1.383(7) . ?
C166 C167 1.399(8) . ?
C167 C168 1.389(8) . ?
C167 H167 0.9300 . ?
C168 C169 1.380(8) . ?
C168 C172 1.500(8) . ?
C169 C170 1.402(7) . ?
C169 H169 0.9300 . ?
C170 N14 1.382(7) . ?
C170 H170 0.9300 . ?
C171 H17D 0.9600 . ?
C171 H17E 0.9600 . ?
C171 H17F 0.9600 . ?
C172 H17G 0.9600 . ?
C172 H17H 0.9600 . ?
C172 H17I 0.9600 . ?
C173 C174 1.339(8) . ?
C173 N15 1.359(7) . ?
C173 H173 0.9300 . ?
C174 C175 1.455(8) . ?
C174 H174 0.9300 . ?
C175 C176 1.345(8) . ?
C175 C183 1.497(8) . ?
C176 C177 1.407(7) . ?
C176 H176 0.9300 . ?
C177 N15 1.352(6) . ?
C177 C178 1.459(7) . ?
C178 N16 1.311(6) . ?
C178 C179 1.405(7) . ?
C179 C180 1.347(8) . ?
C179 H179 0.9300 . ?
C180 C181 1.286(8) . ?
C180 C184 1.514(8) . ?
C181 C182 1.447(8) . ?
C181 H181 0.9300 . ?
C182 N16 1.365(7) . ?
C182 H182 0.9300 . ?
C183 H18C 0.9600 . ?
C183 H18D 0.9600 . ?
C183 H18E 0.9600 . ?
C184 H18F 0.9600 . ?
C184 H18G 0.9600 . ?
C184 H18H 0.9600 . ?
C185 C186 1.596(7) . ?
C185 H18I 0.9600 . ?
C185 H18J 0.9600 . ?
C185 H18K 0.9600 . ?
C186 N38 1.290(6) . ?
C186 C187 1.340(7) . ?
C187 C188 1.465(7) . ?
C188 N37 1.401(6) . ?
C188 C189 1.488(7) . ?
C189 H18L 0.9600 . ?
C189 H18M 0.9600 . ?
C189 H18N 0.9600 . ?
C190 C191 1.469(7) . ?
C190 H19A 0.9600 . ?
C190 H19B 0.9600 . ?
C190 H19C 0.9600 . ?
C191 C192 1.360(8) . ?
C191 N23 1.365(6) . ?
C192 C193 1.409(7) . ?
C193 N24 1.274(7) . ?
C193 C194 1.443(7) . ?
C194 H19D 0.9600 . ?
C194 H19E 0.9600 . ?
C194 H19F 0.9600 . ?
C195 N3 1.305(7) . ?
C195 C196 1.348(8) . ?
C195 H195 0.9300 . ?
C196 C197 1.377(8) . ?
C196 H196 0.9300 . ?
C197 C198 1.320(8) . ?
C197 C205 1.491(8) . ?
C198 C199 1.401(8) . ?
C198 H198 0.9300 . ?
C199 N3 1.325(7) . ?
C199 C200 1.440(8) . ?
C200 C201 1.387(8) . ?
C200 N4 1.429(7) . ?
C201 C202 1.405(7) . ?
C201 H201 0.9300 . ?
C202 C203 1.352(7) . ?
C202 C206 1.501(8) . ?
C203 C204 1.460(8) . ?
C203 H203 0.9300 . ?
C204 N4 1.280(7) . ?
C204 H204 0.9300 . ?
C205 H20A 0.9600 . ?
C205 H20B 0.9600 . ?
C205 H20C 0.9600 . ?
C206 H20D 0.9600 . ?
C206 H20E 0.9600 . ?
C206 H20F 0.9600 . ?
C207 N5 1.378(7) . ?
C207 C208 1.405(7) . ?
C207 H207 0.9300 . ?
C208 C209 1.377(8) . ?
C208 H208 0.9300 . ?
C209 C210 1.404(8) . ?
C209 C217 1.500(7) . ?
C210 C211 1.396(7) . ?
C210 H210 0.9300 . ?
C211 N5 1.374(7) . ?
C211 C212 1.375(8) . ?
C212 C213 1.380(7) . ?
C212 N6 1.384(6) . ?
C213 C214 1.378(7) . ?
C213 H213 0.9300 . ?
C214 C215 1.403(8) . ?
C214 C218 1.513(8) . ?
C215 C216 1.370(8) . ?
C215 H215 0.9300 . ?
C216 N6 1.381(6) . ?
C216 H216 0.9300 . ?
C217 H21A 0.9600 . ?
C217 H21B 0.9600 . ?
C217 H21C 0.9600 . ?
C218 H21D 0.9600 . ?
C218 H21E 0.9600 . ?
C218 H21F 0.9600 . ?
C219 C220 1.519(8) . ?
C219 H21G 0.9600 . ?
C219 H21H 0.9600 . ?
C219 H21I 0.9600 . ?
C220 N25 1.327(7) . ?
C220 C221 1.329(8) . ?
C221 C222 1.412(7) . ?
C222 N26 1.236(6) . ?
C222 C223 1.539(7) . ?
C223 H22A 0.9600 . ?
C223 H22B 0.9600 . ?
C223 H22C 0.9600 . ?
C224 C225 1.582(9) . ?
C224 H22D 0.9600 . ?
C224 H22E 0.9600 . ?
C224 H22F 0.9600 . ?
C225 C226 1.321(8) . ?
C225 N44 1.368(7) . ?
C226 C227 1.378(8) . ?
C227 N43 1.340(7) . ?
C227 C228 1.574(9) . ?
C228 H22G 0.9600 . ?
C228 H22H 0.9600 . ?
C228 H22I 0.9600 . ?
N1 Pd1 1.989(5) . ?
N2 Pd1 1.923(5) . ?
N3 Pd2 1.996(5) . ?
N4 Pd2 1.993(5) . ?
N5 Pd3 1.992(4) . ?
N6 Pd3 1.986(4) . ?
N7 Pd4 1.998(4) . ?
N8 Pd4 2.018(4) . ?
N9 Pd5 1.987(4) . ?
N10 Pd5 2.036(4) . ?
N11 Pd6 2.029(4) . ?
N12 Pd6 1.994(4) . ?
N13 Pd7 2.002(4) . ?
N14 Pd7 1.985(5) . ?
N15 Pd8 1.984(4) . ?
N16 Pd8 2.027(4) . ?
N17 Pd9 1.969(4) . ?
N18 Pd9 1.991(4) . ?
N19 Pd10 2.043(4) . ?
N20 Pd10 2.006(4) . ?
N21 N22 1.303(6) . ?
N21 Pd1 2.144(5) . ?
N23 N24 1.393(6) . ?
N23 Pd2 1.960(5) . ?
N24 Pd3 2.033(5) . ?
N25 N26 1.390(6) . ?
N25 Pd2 2.025(5) . ?
N26 Pd3 2.029(4) . ?
N27 N28 1.392(6) . ?
N27 Pd4 2.030(5) . ?
N28 Pd5 2.042(4) . ?
N29 N30 1.382(6) . ?
N29 Pd4 1.978(4) . ?
N30 Pd5 2.015(4) . ?
N31 N32 1.392(6) . ?
N31 Pd6 2.028(4) . ?
N32 H32 0.8600 . ?
N33 N34 1.351(5) . ?
N33 Pd6 2.024(4) . ?
N35 N36 1.349(6) . ?
N35 Pd7 1.999(4) . ?
N36 Pd8 1.986(4) . ?
N37 N38 1.370(6) . ?
N37 Pd7 1.975(4) . ?
N38 Pd8 2.049(4) . ?
N39 N40 1.317(6) . ?
N39 Pd9 2.004(4) . ?
N40 Pd10 1.982(4) . ?
N41 N42 1.324(6) . ?
N41 Pd9 2.036(5) . ?
N42 Pd10 2.001(5) . ?
N43 N44 1.366(7) . ?
N43 Pd1 2.010(5) . ?
N44 H44A 0.8600 . ?
N45 O15 1.186(6) . ?
N45 O14 1.227(6) . ?
N45 O13 1.281(6) . ?
N46 O1 1.232(6) . ?
N46 O3 1.252(6) . ?
N46 O2 1.265(6) . ?
N47 O22 1.073(6) . ?
N47 O23 1.196(6) . ?
N47 O24 1.306(7) . ?
N48 O12 1.207(6) . ?
N48 O10 1.240(6) . ?
N48 O11 1.260(6) . ?
N49 O4 1.216(6) . ?
N49 O6 1.242(6) . ?
N49 O5 1.252(6) . ?
N50 O8 1.235(6) . ?
N50 O9 1.249(6) . ?
N50 O7 1.253(6) . ?
N51 O17 1.241(6) . ?
N51 O16 1.243(6) . ?
N51 O18 1.255(6) . ?
N52 O21 1.230(6) . ?
N52 O19 1.256(5) . ?
N52 O20 1.263(6) . ?
N53 O27 1.219(5) . ?
N53 O26 1.229(5) . ?
N53 O25 1.255(5) . ?
N54 O29 1.191(7) . ?
N54 O30 1.279(7) . ?
N54 O28 1.325(7) . ?
Pd2 Pd3 3.2294(10) . ?
Pd4 Pd5 3.2190(9) . ?
Pd9 Pd10 3.2144(16) . ?

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
N1 C1 C2 119.5(5) . . ?
N1 C1 H1 120.2 . . ?
C2 C1 H1 120.2 . . ?
C3 C2 C1 118.2(6) . . ?
C3 C2 H2 120.9 . . ?
C1 C2 H2 120.9 . . ?
C4 C3 C2 121.8(6) . . ?
C4 C3 C11 122.7(6) . . ?
C2 C3 C11 115.5(5) . . ?
C3 C4 C5 120.4(6) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
N1 C5 C4 118.5(5) . . ?
N1 C5 C6 114.6(5) . . ?
C4 C5 C6 126.5(6) . . ?
C7 C6 N2 120.1(5) . . ?
C7 C6 C5 128.9(6) . . ?
N2 C6 C5 110.5(5) . . ?
C8 C7 C6 119.1(6) . . ?
C8 C7 H7 120.5 . . ?
C6 C7 H7 120.5 . . ?
C7 C8 C9 121.2(6) . . ?
C7 C8 C12 115.6(6) . . ?
C9 C8 C12 123.1(6) . . ?
C10 C9 C8 120.2(6) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 N2 119.8(5) . . ?
C9 C10 H10 120.1 . . ?
N2 C10 H10 120.1 . . ?
C3 C11 H11A 109.5 . . ?
C3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N21 C14 C15 106.1(5) . . ?
N21 C14 C13 126.9(6) . . ?
C15 C14 C13 126.0(6) . . ?
C14 C15 C16 108.4(6) . . ?
C14 C15 C18 120.6(6) . . ?
C16 C15 C18 130.5(6) . . ?
N22 C16 C15 106.4(5) . . ?
N22 C16 C17 117.3(6) . . ?
C15 C16 C17 135.7(6) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C15 121.0(5) . . ?
C19 C18 H18A 107.1 . . ?
C15 C18 H18A 107.1 . . ?
C19 C18 H18B 107.1 . . ?
C15 C18 H18B 107.1 . . ?
H18A C18 H18B 106.8 . . ?
C20 C19 C24 120.0(5) . . ?
C20 C19 C18 123.8(5) . . ?
C24 C19 C18 115.9(5) . . ?
C19 C20 C21 120.0(5) . . ?
C19 C20 C26 119.0(5) . . ?
C21 C20 C26 120.0(5) . . ?
C22 C21 C20 120.0(5) . . ?
C22 C21 C27 118.4(5) . . ?
C20 C21 C27 121.6(5) . . ?
C23 C22 C21 120.0(5) . . ?
C23 C22 C28 118.0(5) . . ?
C21 C22 C28 121.5(5) . . ?
C22 C23 C24 120.0(5) . . ?
C22 C23 C29 122.3(5) . . ?
C24 C23 C29 117.6(5) . . ?
C23 C24 C19 120.0(5) . . ?
C23 C24 C25 119.1(5) . . ?
C19 C24 C25 120.7(5) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C20 C26 H26A 109.5 . . ?
C20 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C20 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C32 C27 C21 121.4(5) . . ?
C32 C27 H27A 107.0 . . ?
C21 C27 H27A 107.0 . . ?
C32 C27 H27B 107.0 . . ?
C21 C27 H27B 107.0 . . ?
H27A C27 H27B 106.7 . . ?
C22 C28 H28A 109.5 . . ?
C22 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C22 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C192 C29 C23 124.6(4) . . ?
C192 C29 H29A 106.2 . . ?
C23 C29 H29A 106.2 . . ?
C192 C29 H29B 106.2 . . ?
C23 C29 H29B 106.2 . . ?
H29A C29 H29B 106.4 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N27 C31 C32 109.0(5) . . ?
N27 C31 C30 119.6(5) . . ?
C32 C31 C30 131.2(5) . . ?
C31 C32 C33 105.2(5) . . ?
C31 C32 C27 128.5(5) . . ?
C33 C32 C27 126.1(6) . . ?
N28 C33 C32 109.1(5) . . ?
N28 C33 C34 121.6(5) . . ?
C32 C33 C34 129.2(5) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 N7 118.5(5) . . ?
C36 C35 H35 120.8 . . ?
N7 C35 H35 120.8 . . ?
C37 C36 C35 120.7(6) . . ?
C37 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
C36 C37 C38 120.5(5) . . ?
C36 C37 C45 113.4(5) . . ?
C38 C37 C45 125.7(5) . . ?
C39 C38 C37 118.7(5) . . ?
C39 C38 H38 120.7 . . ?
C37 C38 H38 120.7 . . ?
C40 C39 N7 115.7(4) . . ?
C40 C39 C38 123.8(5) . . ?
N7 C39 C38 120.4(5) . . ?
C39 C40 N8 116.8(4) . . ?
C39 C40 C41 126.6(5) . . ?
N8 C40 C41 116.6(4) . . ?
C42 C41 C40 123.4(5) . . ?
C42 C41 H41 118.3 . . ?
C40 C41 H41 118.3 . . ?
C41 C42 C43 119.6(5) . . ?
C41 C42 C46 121.2(5) . . ?
C43 C42 C46 119.1(5) . . ?
C42 C43 C44 116.2(5) . . ?
C42 C43 H43 121.9 . . ?
C44 C43 H43 121.9 . . ?
N8 C44 C43 122.0(4) . . ?
N8 C44 H44 119.0 . . ?
C43 C44 H44 119.0 . . ?
C37 C45 H45A 109.5 . . ?
C37 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C37 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C42 C46 H46A 109.5 . . ?
C42 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C42 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N9 C47 C48 122.4(5) . . ?
N9 C47 H47 118.8 . . ?
C48 C47 H47 118.8 . . ?
C49 C48 C47 115.5(5) . . ?
C49 C48 H48 122.2 . . ?
C47 C48 H48 122.2 . . ?
C50 C49 C48 120.0(6) . . ?
C50 C49 C57 123.4(6) . . ?
C48 C49 C57 116.5(5) . . ?
C49 C50 C51 123.0(6) . . ?
C49 C50 H50 118.5 . . ?
C51 C50 H50 118.5 . . ?
C50 C51 N9 120.8(5) . . ?
C50 C51 C52 127.6(5) . . ?
N9 C51 C52 111.6(5) . . ?
N10 C52 C51 120.6(5) . . ?
N10 C52 C53 115.3(4) . . ?
C51 C52 C53 123.2(5) . . ?
C54 C53 C52 118.5(5) . . ?
C54 C53 H53 120.7 . . ?
C52 C53 H53 120.7 . . ?
C53 C54 C55 122.1(5) . . ?
C53 C54 C58 116.3(5) . . ?
C55 C54 C58 120.9(5) . . ?
C56 C55 C54 117.3(5) . . ?
C56 C55 H55 121.4 . . ?
C54 C55 H55 121.4 . . ?
N10 C56 C55 119.1(5) . . ?
N10 C56 H56 120.4 . . ?
C55 C56 H56 120.4 . . ?
C49 C57 H57A 109.5 . . ?
C49 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C49 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C54 C58 H58A 109.5 . . ?
C54 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C54 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 H59A 109.5 . . ?
C60 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C60 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C59 C60 N29 121.3(4) . . ?
C59 C60 C61 131.9(5) . . ?
N29 C60 C61 106.8(4) . . ?
C62 C61 C60 103.4(4) . . ?
C62 C61 C64 128.8(5) . . ?
C60 C61 C64 127.6(5) . . ?
N30 C62 C61 113.0(4) . . ?
N30 C62 C63 119.0(4) . . ?
C61 C62 C63 127.9(5) . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C64 C65 114.7(4) . . ?
C61 C64 H64A 108.6 . . ?
C65 C64 H64A 108.6 . . ?
C61 C64 H64B 108.6 . . ?
C65 C64 H64B 108.6 . . ?
H64A C64 H64B 107.6 . . ?
C66 C65 C70 119.2(5) . . ?
C66 C65 C64 122.1(5) . . ?
C70 C65 C64 118.6(5) . . ?
C65 C66 C67 122.0(6) . . ?
C65 C66 C72 120.5(6) . . ?
C67 C66 C72 117.5(5) . . ?
C66 C67 C68 119.5(5) . . ?
C66 C67 C73 120.0(6) . . ?
C68 C67 C73 120.4(6) . . ?
C67 C68 C69 118.6(5) . . ?
C67 C68 C74 126.3(5) . . ?
C69 C68 C74 115.1(5) . . ?
C70 C69 C68 120.7(5) . . ?
C70 C69 C75 118.8(5) . . ?
C68 C69 C75 120.5(5) . . ?
C69 C70 C65 119.6(5) . . ?
C69 C70 C71 122.6(5) . . ?
C65 C70 C71 117.7(5) . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C66 C72 H72A 109.5 . . ?
C66 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C66 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C221 C73 C67 115.7(4) . . ?
C221 C73 H73A 108.4 . . ?
C67 C73 H73A 108.4 . . ?
C221 C73 H73B 108.4 . . ?
C67 C73 H73B 108.4 . . ?
H73A C73 H73B 107.4 . . ?
C68 C74 H74D 109.5 . . ?
C68 C74 H74E 109.5 . . ?
H74D C74 H74E 109.5 . . ?
C68 C74 H74F 109.5 . . ?
H74D C74 H74F 109.5 . . ?
H74E C74 H74F 109.5 . . ?
C69 C75 C78 114.2(4) . . ?
C69 C75 H75A 108.7 . . ?
C78 C75 H75A 108.7 . . ?
C69 C75 H75B 108.7 . . ?
C78 C75 H75B 108.7 . . ?
H75A C75 H75B 107.6 . . ?
C77 C76 H76A 109.5 . . ?
C77 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C77 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N31 C77 C78 111.8(4) . . ?
N31 C77 C76 122.2(4) . . ?
C78 C77 C76 125.9(4) . . ?
C79 C78 C77 105.0(4) . . ?
C79 C78 C75 129.5(5) . . ?
C77 C78 C75 125.4(5) . . ?
C78 C79 N32 109.9(4) . . ?
C78 C79 C80 134.1(5) . . ?
N32 C79 C80 116.0(4) . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
N11 C81 C82 123.5(5) . . ?
N11 C81 H81 118.3 . . ?
C82 C81 H81 118.3 . . ?
C83 C82 C81 117.5(6) . . ?
C83 C82 H82 121.3 . . ?
C81 C82 H82 121.3 . . ?
C82 C83 C84 120.1(6) . . ?
C82 C83 C91 120.0(6) . . ?
C84 C83 C91 119.9(5) . . ?
C85 C84 C83 113.9(5) . . ?
C85 C84 H84 123.0 . . ?
C83 C84 H84 123.0 . . ?
N11 C85 C84 124.7(5) . . ?
N11 C85 C86 116.7(4) . . ?
C84 C85 C86 118.6(5) . . ?
N12 C86 C87 121.4(5) . . ?
N12 C86 C85 112.2(4) . . ?
C87 C86 C85 126.4(5) . . ?
C86 C87 C88 124.4(5) . . ?
C86 C87 H87 117.8 . . ?
C88 C87 H87 117.8 . . ?
C87 C88 C89 115.9(5) . . ?
C87 C88 C92 120.7(5) . . ?
C89 C88 C92 123.4(5) . . ?
C90 C89 C88 113.2(5) . . ?
C90 C89 H89 123.4 . . ?
C88 C89 H89 123.4 . . ?
N12 C90 C89 127.5(4) . . ?
N12 C90 H90 116.2 . . ?
C89 C90 H90 116.2 . . ?
C83 C91 H91A 109.5 . . ?
C83 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C83 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C88 C92 H92A 109.5 . . ?
C88 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C88 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C94 C93 H93A 109.5 . . ?
C94 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C94 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
N33 C94 C95 106.0(4) . . ?
N33 C94 C93 116.7(4) . . ?
C95 C94 C93 137.0(5) . . ?
C96 C95 C94 105.2(5) . . ?
C96 C95 C98 135.3(5) . . ?
C94 C95 C98 119.4(5) . . ?
C95 C96 N34 109.3(4) . . ?
C95 C96 C97 133.0(5) . . ?
N34 C96 C97 117.7(4) . . ?
C96 C97 H97A 109.5 . . ?
C96 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
C96 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C95 C98 C99 110.3(5) . . ?
C95 C98 H98A 109.6 . . ?
C99 C98 H98A 109.6 . . ?
C95 C98 H98B 109.6 . . ?
C99 C98 H98B 109.6 . . ?
H98A C98 H98B 108.1 . . ?
C104 C99 C100 122.7(5) . . ?
C104 C99 C98 121.2(5) . . ?
C100 C99 C98 116.0(5) . . ?
C99 C100 C101 120.6(5) . . ?
C99 C100 C106 121.0(5) . . ?
C101 C100 C106 118.4(5) . . ?
C102 C101 C100 116.0(5) . . ?
C102 C101 C107 122.2(5) . . ?
C100 C101 C107 121.8(5) . . ?
C101 C102 C103 123.4(5) . . ?
C101 C102 C108 120.4(5) . . ?
C103 C102 C108 116.3(5) . . ?
C104 C103 C102 121.3(5) . . ?
C104 C103 C109 119.5(5) . . ?
C102 C103 C109 118.8(4) . . ?
C99 C104 C103 116.0(5) . . ?
C99 C104 C105 127.1(5) . . ?
C103 C104 C105 116.7(5) . . ?
C104 C105 H10N 109.5 . . ?
C104 C105 H10O 109.5 . . ?
H10N C105 H10O 109.5 . . ?
C104 C105 H10P 109.5 . . ?
H10N C105 H10P 109.5 . . ?
H10O C105 H10P 109.5 . . ?
C100 C106 H10D 109.5 . . ?
C100 C106 H10E 109.5 . . ?
H10D C106 H10E 109.5 . . ?
C100 C106 H10F 109.5 . . ?
H10D C106 H10F 109.5 . . ?
H10E C106 H10F 109.5 . . ?
C101 C107 C187 118.2(4) . . ?
C101 C107 H10G 107.8 . . ?
C187 C107 H10G 107.8 . . ?
C101 C107 H10H 107.8 . . ?
C187 C107 H10H 107.8 . . ?
H10G C107 H10H 107.1 . . ?
C102 C108 H10I 109.5 . . ?
C102 C108 H10J 109.5 . . ?
H10I C108 H10J 109.5 . . ?
C102 C108 H10K 109.5 . . ?
H10I C108 H10K 109.5 . . ?
H10J C108 H10K 109.5 . . ?
C112 C109 C103 116.1(4) . . ?
C112 C109 H10L 108.3 . . ?
C103 C109 H10L 108.3 . . ?
C112 C109 H10M 108.3 . . ?
C103 C109 H10M 108.3 . . ?
H10L C109 H10M 107.4 . . ?
C111 C110 H11D 109.5 . . ?
C111 C110 H11E 109.5 . . ?
H11D C110 H11E 109.5 . . ?
C111 C110 H11F 109.5 . . ?
H11D C110 H11F 109.5 . . ?
H11E C110 H11F 109.5 . . ?
C112 C111 N41 107.4(4) . . ?
C112 C111 C110 131.5(5) . . ?
N41 C111 C110 121.1(4) . . ?
C111 C112 C113 105.8(5) . . ?
C111 C112 C109 132.2(5) . . ?
C113 C112 C109 121.9(5) . . ?
N42 C113 C112 108.7(4) . . ?
N42 C113 C114 121.5(4) . . ?
C112 C113 C114 129.8(5) . . ?
C113 C114 H11G 109.5 . . ?
C113 C114 H11H 109.5 . . ?
H11G C114 H11H 109.5 . . ?
C113 C114 H11I 109.5 . . ?
H11G C114 H11I 109.5 . . ?
H11H C114 H11I 109.5 . . ?
C116 C115 N17 120.9(5) . . ?
C116 C115 H115 119.6 . . ?
N17 C115 H115 119.6 . . ?
C117 C116 C115 122.4(6) . . ?
C117 C116 H116 118.8 . . ?
C115 C116 H116 118.8 . . ?
C116 C117 C118 118.3(6) . . ?
C116 C117 C125 120.4(6) . . ?
C118 C117 C125 121.3(6) . . ?
C117 C118 C119 124.2(6) . . ?
C117 C118 H118 117.9 . . ?
C119 C118 H118 117.9 . . ?
N17 C119 C120 115.6(4) . . ?
N17 C119 C118 116.2(5) . . ?
C120 C119 C118 127.2(5) . . ?
N18 C120 C121 118.3(5) . . ?
N18 C120 C119 113.9(4) . . ?
C121 C120 C119 127.5(5) . . ?
C122 C121 C120 123.1(5) . . ?
C122 C121 H121 118.4 . . ?
C120 C121 H121 118.4 . . ?
C121 C122 C123 116.7(6) . . ?
C121 C122 C126 122.6(5) . . ?
C123 C122 C126 120.4(6) . . ?
C122 C123 C124 119.1(6) . . ?
C122 C123 H123 120.4 . . ?
C124 C123 H123 120.4 . . ?
N18 C124 C123 122.7(5) . . ?
N18 C124 H124 118.7 . . ?
C123 C124 H124 118.7 . . ?
C117 C125 H12D 109.5 . . ?
C117 C125 H12E 109.5 . . ?
H12D C125 H12E 109.5 . . ?
C117 C125 H12F 109.5 . . ?
H12D C125 H12F 109.5 . . ?
H12E C125 H12F 109.5 . . ?
C122 C126 H12G 109.5 . . ?
C122 C126 H12H 109.5 . . ?
H12G C126 H12H 109.5 . . ?
C122 C126 H12I 109.5 . . ?
H12G C126 H12I 109.5 . . ?
H12H C126 H12I 109.5 . . ?
N19 C127 C128 119.8(5) . . ?
N19 C127 H127 120.1 . . ?
C128 C127 H127 120.1 . . ?
C129 C128 C127 115.0(5) . . ?
C129 C128 H128 122.5 . . ?
C127 C128 H128 122.5 . . ?
C128 C129 C130 123.1(6) . . ?
C128 C129 C137 119.4(5) . . ?
C130 C129 C137 117.1(6) . . ?
C131 C130 C129 116.8(6) . . ?
C131 C130 H130 121.6 . . ?
C129 C130 H130 121.6 . . ?
N19 C131 C130 122.6(5) . . ?
N19 C131 C132 114.7(5) . . ?
C130 C131 C132 122.5(5) . . ?
C133 C132 N20 115.3(5) . . ?
C133 C132 C131 128.3(5) . . ?
N20 C132 C131 116.3(4) . . ?
C134 C133 C132 127.4(6) . . ?
C134 C133 H133 116.3 . . ?
C132 C133 H133 116.3 . . ?
C133 C134 C135 114.9(5) . . ?
C133 C134 C138 124.6(5) . . ?
C135 C134 C138 120.5(5) . . ?
C136 C135 C134 116.3(5) . . ?
C136 C135 H135 121.9 . . ?
C134 C135 H135 121.9 . . ?
N20 C136 C135 126.9(5) . . ?
N20 C136 H136 116.5 . . ?
C135 C136 H136 116.5 . . ?
C129 C137 H13D 109.5 . . ?
C129 C137 H13E 109.5 . . ?
H13D C137 H13E 109.5 . . ?
C129 C137 H13F 109.5 . . ?
H13D C137 H13F 109.5 . . ?
H13E C137 H13F 109.5 . . ?
C134 C138 H13G 109.5 . . ?
C134 C138 H13H 109.5 . . ?
H13G C138 H13H 109.5 . . ?
C134 C138 H13I 109.5 . . ?
H13G C138 H13I 109.5 . . ?
H13H C138 H13I 109.5 . . ?
C140 C139 H13J 109.5 . . ?
C140 C139 H13K 109.5 . . ?
H13J C139 H13K 109.5 . . ?
C140 C139 H13L 109.5 . . ?
H13J C139 H13L 109.5 . . ?
H13K C139 H13L 109.5 . . ?
C141 C140 N39 106.8(4) . . ?
C141 C140 C139 132.5(5) . . ?
N39 C140 C139 120.7(4) . . ?
C140 C141 C142 107.8(5) . . ?
C140 C141 C144 126.4(5) . . ?
C142 C141 C144 125.7(5) . . ?
N40 C142 C141 107.1(4) . . ?
N40 C142 C143 118.2(4) . . ?
C141 C142 C143 133.9(5) . . ?
C142 C143 H14A 109.5 . . ?
C142 C143 H14B 109.5 . . ?
H14A C143 H14B 109.5 . . ?
C142 C143 H14C 109.5 . . ?
H14A C143 H14C 109.5 . . ?
H14B C143 H14C 109.5 . . ?
C145 C144 C141 114.9(4) . . ?
C145 C144 H14D 108.5 . . ?
C141 C144 H14D 108.5 . . ?
C145 C144 H14E 108.5 . . ?
C141 C144 H14E 108.5 . . ?
H14D C144 H14E 107.5 . . ?
C146 C145 C150 117.3(5) . . ?
C146 C145 C144 121.9(5) . . ?
C150 C145 C144 120.7(5) . . ?
C147 C146 C145 123.2(6) . . ?
C147 C146 C152 119.0(5) . . ?
C145 C146 C152 117.6(5) . . ?
C146 C147 C148 119.4(6) . . ?
C146 C147 C153 118.2(5) . . ?
C148 C147 C153 119.8(5) . . ?
C149 C148 C147 117.6(5) . . ?
C149 C148 C154 118.5(5) . . ?
C147 C148 C154 123.9(5) . . ?
C148 C149 C150 122.8(6) . . ?
C148 C149 C155 119.5(5) . . ?
C150 C149 C155 117.7(5) . . ?
C149 C150 C145 119.1(6) . . ?
C149 C150 C151 119.8(5) . . ?
C145 C150 C151 121.0(5) . . ?
C150 C151 H15X 109.5 . . ?
C150 C151 H15Y 109.5 . . ?
H15X C151 H15Y 109.5 . . ?
C150 C151 H15Z 109.5 . . ?
H15X C151 H15Z 109.5 . . ?
H15Y C151 H15Z 109.5 . . ?
C146 C152 H15D 109.5 . . ?
C146 C152 H15E 109.5 . . ?
H15D C152 H15E 109.5 . . ?
C146 C152 H15F 109.5 . . ?
H15D C152 H15F 109.5 . . ?
H15E C152 H15F 109.5 . . ?
C226 C153 C147 106.6(4) . . ?
C226 C153 H15J 110.4 . . ?
C147 C153 H15J 110.4 . . ?
C226 C153 H15K 110.4 . . ?
C147 C153 H15K 110.4 . . ?
H15J C153 H15K 108.6 . . ?
C148 C154 H15A 109.5 . . ?
C148 C154 H15B 109.5 . . ?
H15A C154 H15B 109.5 . . ?
C148 C154 H15C 109.5 . . ?
H15A C154 H15C 109.5 . . ?
H15B C154 H15C 109.5 . . ?
C158 C155 C149 114.3(4) . . ?
C158 C155 H15L 108.7 . . ?
C149 C155 H15L 108.7 . . ?
C158 C155 H15M 108.7 . . ?
C149 C155 H15M 108.7 . . ?
H15L C155 H15M 107.6 . . ?
C157 C156 H15N 109.5 . . ?
C157 C156 H15O 109.5 . . ?
H15N C156 H15O 109.5 . . ?
C157 C156 H15P 109.5 . . ?
H15N C156 H15P 109.5 . . ?
H15O C156 H15P 109.5 . . ?
N35 C157 C158 108.7(4) . . ?
N35 C157 C156 121.4(4) . . ?
C158 C157 C156 129.9(5) . . ?
C159 C158 C157 105.5(5) . . ?
C159 C158 C155 132.1(5) . . ?
C157 C158 C155 122.3(5) . . ?
C158 C159 N36 109.7(5) . . ?
C158 C159 C160 132.2(5) . . ?
N36 C159 C160 117.8(4) . . ?
C159 C160 H16A 109.5 . . ?
C159 C160 H16B 109.5 . . ?
H16A C160 H16B 109.5 . . ?
C159 C160 H16C 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
C162 C161 N13 120.9(5) . . ?
C162 C161 H161 119.5 . . ?
N13 C161 H161 119.5 . . ?
C161 C162 C163 120.4(5) . . ?
C161 C162 H162 119.8 . . ?
C163 C162 H162 119.8 . . ?
C164 C163 C162 119.1(5) . . ?
C164 C163 C171 120.2(5) . . ?
C162 C163 C171 120.8(5) . . ?
C165 C164 C163 119.4(6) . . ?
C165 C164 H164 120.3 . . ?
C163 C164 H164 120.3 . . ?
N13 C165 C164 122.1(5) . . ?
N13 C165 C166 109.4(5) . . ?
C164 C165 C166 128.6(5) . . ?
N14 C166 C167 120.7(6) . . ?
N14 C166 C165 118.9(5) . . ?
C167 C166 C165 120.3(6) . . ?
C168 C167 C166 119.0(6) . . ?
C168 C167 H167 120.5 . . ?
C166 C167 H167 120.5 . . ?
C169 C168 C167 120.0(6) . . ?
C169 C168 C172 121.0(6) . . ?
C167 C168 C172 119.0(6) . . ?
C168 C169 C170 121.0(6) . . ?
C168 C169 H169 119.5 . . ?
C170 C169 H169 119.5 . . ?
N14 C170 C169 118.8(6) . . ?
N14 C170 H170 120.6 . . ?
C169 C170 H170 120.6 . . ?
C163 C171 H17D 109.5 . . ?
C163 C171 H17E 109.5 . . ?
H17D C171 H17E 109.5 . . ?
C163 C171 H17F 109.5 . . ?
H17D C171 H17F 109.5 . . ?
H17E C171 H17F 109.5 . . ?
C168 C172 H17G 109.5 . . ?
C168 C172 H17H 109.5 . . ?
H17G C172 H17H 109.5 . . ?
C168 C172 H17I 109.5 . . ?
H17G C172 H17I 109.5 . . ?
H17H C172 H17I 109.5 . . ?
C174 C173 N15 119.6(6) . . ?
C174 C173 H173 120.2 . . ?
N15 C173 H173 120.2 . . ?
C173 C174 C175 121.8(6) . . ?
C173 C174 H174 119.1 . . ?
C175 C174 H174 119.1 . . ?
C176 C175 C174 117.4(5) . . ?
C176 C175 C183 121.3(6) . . ?
C174 C175 C183 121.0(6) . . ?
C175 C176 C177 118.9(6) . . ?
C175 C176 H176 120.5 . . ?
C177 C176 H176 120.5 . . ?
N15 C177 C176 122.1(5) . . ?
N15 C177 C178 115.1(4) . . ?
C176 C177 C178 122.8(5) . . ?
N16 C178 C179 119.8(5) . . ?
N16 C178 C177 115.5(5) . . ?
C179 C178 C177 124.7(5) . . ?
C180 C179 C178 120.0(5) . . ?
C180 C179 H179 120.0 . . ?
C178 C179 H179 120.0 . . ?
C181 C180 C179 119.2(6) . . ?
C181 C180 C184 119.4(6) . . ?
C179 C180 C184 121.3(6) . . ?
C180 C181 C182 123.9(6) . . ?
C180 C181 H181 118.0 . . ?
C182 C181 H181 118.0 . . ?
N16 C182 C181 114.1(5) . . ?
N16 C182 H182 122.9 . . ?
C181 C182 H182 122.9 . . ?
C175 C183 H18C 109.5 . . ?
C175 C183 H18D 109.5 . . ?
H18C C183 H18D 109.5 . . ?
C175 C183 H18E 109.5 . . ?
H18C C183 H18E 109.5 . . ?
H18D C183 H18E 109.5 . . ?
C180 C184 H18F 109.5 . . ?
C180 C184 H18G 109.5 . . ?
H18F C184 H18G 109.5 . . ?
C180 C184 H18H 109.5 . . ?
H18F C184 H18H 109.5 . . ?
H18G C184 H18H 109.5 . . ?
C186 C185 H18I 109.5 . . ?
C186 C185 H18J 109.5 . . ?
H18I C185 H18J 109.5 . . ?
C186 C185 H18K 109.5 . . ?
H18I C185 H18K 109.5 . . ?
H18J C185 H18K 109.5 . . ?
N38 C186 C187 113.9(5) . . ?
N38 C186 C185 120.2(5) . . ?
C187 C186 C185 125.7(5) . . ?
C186 C187 C188 104.9(4) . . ?
C186 C187 C107 133.7(5) . . ?
C188 C187 C107 121.4(4) . . ?
N37 C188 C187 104.1(4) . . ?
N37 C188 C189 118.2(4) . . ?
C187 C188 C189 137.2(5) . . ?
C188 C189 H18L 109.5 . . ?
C188 C189 H18M 109.5 . . ?
H18L C189 H18M 109.5 . . ?
C188 C189 H18N 109.5 . . ?
H18L C189 H18N 109.5 . . ?
H18M C189 H18N 109.5 . . ?
C191 C190 H19A 109.5 . . ?
C191 C190 H19B 109.5 . . ?
H19A C190 H19B 109.5 . . ?
C191 C190 H19C 109.5 . . ?
H19A C190 H19C 109.5 . . ?
H19B C190 H19C 109.5 . . ?
C192 C191 N23 109.1(5) . . ?
C192 C191 C190 130.5(5) . . ?
N23 C191 C190 119.8(5) . . ?
C191 C192 C193 105.5(5) . . ?
C191 C192 C29 128.3(4) . . ?
C193 C192 C29 126.1(5) . . ?
N24 C193 C192 109.4(5) . . ?
N24 C193 C194 120.5(5) . . ?
C192 C193 C194 129.9(5) . . ?
C193 C194 H19D 109.5 . . ?
C193 C194 H19E 109.5 . . ?
H19D C194 H19E 109.5 . . ?
C193 C194 H19F 109.5 . . ?
H19D C194 H19F 109.5 . . ?
H19E C194 H19F 109.5 . . ?
N3 C195 C196 121.9(6) . . ?
N3 C195 H195 119.0 . . ?
C196 C195 H195 119.0 . . ?
C195 C196 C197 120.8(6) . . ?
C195 C196 H196 119.6 . . ?
C197 C196 H196 119.6 . . ?
C198 C197 C196 114.1(6) . . ?
C198 C197 C205 121.4(5) . . ?
C196 C197 C205 123.1(6) . . ?
C197 C198 C199 124.1(6) . . ?
C197 C198 H198 118.0 . . ?
C199 C198 H198 118.0 . . ?
N3 C199 C198 116.7(6) . . ?
N3 C199 C200 117.4(6) . . ?
C198 C199 C200 125.3(6) . . ?
C201 C200 N4 116.7(6) . . ?
C201 C200 C199 130.1(6) . . ?
N4 C200 C199 113.2(5) . . ?
C200 C201 C202 124.6(6) . . ?
C200 C201 H201 117.7 . . ?
C202 C201 H201 117.7 . . ?
C203 C202 C201 115.4(5) . . ?
C203 C202 C206 121.1(5) . . ?
C201 C202 C206 123.4(5) . . ?
C202 C203 C204 120.8(6) . . ?
C202 C203 H203 119.6 . . ?
C204 C203 H203 119.6 . . ?
N4 C204 C203 122.0(6) . . ?
N4 C204 H204 119.0 . . ?
C203 C204 H204 119.0 . . ?
C197 C205 H20A 109.5 . . ?
C197 C205 H20B 109.5 . . ?
H20A C205 H20B 109.5 . . ?
C197 C205 H20C 109.5 . . ?
H20A C205 H20C 109.5 . . ?
H20B C205 H20C 109.5 . . ?
C202 C206 H20D 109.5 . . ?
C202 C206 H20E 109.5 . . ?
H20D C206 H20E 109.5 . . ?
C202 C206 H20F 109.5 . . ?
H20D C206 H20F 109.5 . . ?
H20E C206 H20F 109.5 . . ?
N5 C207 C208 120.2(5) . . ?
N5 C207 H207 119.9 . . ?
C208 C207 H207 119.9 . . ?
C209 C208 C207 120.6(6) . . ?
C209 C208 H208 119.7 . . ?
C207 C208 H208 119.7 . . ?
C208 C209 C210 118.3(5) . . ?
C208 C209 C217 125.9(6) . . ?
C210 C209 C217 115.8(5) . . ?
C211 C210 C209 121.1(5) . . ?
C211 C210 H210 119.4 . . ?
C209 C210 H210 119.4 . . ?
N5 C211 C212 115.8(5) . . ?
N5 C211 C210 119.5(5) . . ?
C212 C211 C210 124.6(5) . . ?
C211 C212 C213 124.3(5) . . ?
C211 C212 N6 115.4(5) . . ?
C213 C212 N6 119.9(5) . . ?
C214 C213 C212 119.6(5) . . ?
C214 C213 H213 120.2 . . ?
C212 C213 H213 120.2 . . ?
C213 C214 C215 121.0(6) . . ?
C213 C214 C218 121.0(5) . . ?
C215 C214 C218 117.9(5) . . ?
C216 C215 C214 118.2(5) . . ?
C216 C215 H215 120.9 . . ?
C214 C215 H215 120.9 . . ?
C215 C216 N6 121.3(5) . . ?
C215 C216 H216 119.3 . . ?
N6 C216 H216 119.3 . . ?
C209 C217 H21A 109.5 . . ?
C209 C217 H21B 109.5 . . ?
H21A C217 H21B 109.5 . . ?
C209 C217 H21C 109.5 . . ?
H21A C217 H21C 109.5 . . ?
H21B C217 H21C 109.5 . . ?
C214 C218 H21D 109.5 . . ?
C214 C218 H21E 109.5 . . ?
H21D C218 H21E 109.5 . . ?
C214 C218 H21F 109.5 . . ?
H21D C218 H21F 109.5 . . ?
H21E C218 H21F 109.5 . . ?
C220 C219 H21G 109.5 . . ?
C220 C219 H21H 109.5 . . ?
H21G C219 H21H 109.5 . . ?
C220 C219 H21I 109.5 . . ?
H21G C219 H21I 109.5 . . ?
H21H C219 H21I 109.5 . . ?
N25 C220 C221 108.6(5) . . ?
N25 C220 C219 117.8(6) . . ?
C221 C220 C219 133.5(5) . . ?
C220 C221 C222 104.3(5) . . ?
C220 C221 C73 122.1(5) . . ?
C222 C221 C73 133.4(5) . . ?
N26 C222 C221 112.0(5) . . ?
N26 C222 C223 123.0(5) . . ?
C221 C222 C223 124.9(5) . . ?
C222 C223 H22A 109.5 . . ?
C222 C223 H22B 109.5 . . ?
H22A C223 H22B 109.5 . . ?
C222 C223 H22C 109.5 . . ?
H22A C223 H22C 109.5 . . ?
H22B C223 H22C 109.5 . . ?
C225 C224 H22D 109.5 . . ?
C225 C224 H22E 109.5 . . ?
H22D C224 H22E 109.5 . . ?
C225 C224 H22F 109.5 . . ?
H22D C224 H22F 109.5 . . ?
H22E C224 H22F 109.5 . . ?
C226 C225 N44 108.3(6) . . ?
C226 C225 C224 131.7(6) . . ?
N44 C225 C224 119.2(6) . . ?
C225 C226 C227 108.3(6) . . ?
C225 C226 C153 135.0(6) . . ?
C227 C226 C153 116.4(5) . . ?
N43 C227 C226 107.9(6) . . ?
N43 C227 C228 118.1(6) . . ?
C226 C227 C228 133.7(6) . . ?
C227 C228 H22G 109.5 . . ?
C227 C228 H22H 109.5 . . ?
H22G C228 H22H 109.5 . . ?
C227 C228 H22I 109.5 . . ?
H22G C228 H22I 109.5 . . ?
H22H C228 H22I 109.5 . . ?
C1 N1 C5 121.6(4) . . ?
C1 N1 Pd1 124.5(3) . . ?
C5 N1 Pd1 113.9(3) . . ?
C10 N2 C6 119.5(4) . . ?
C10 N2 Pd1 118.8(3) . . ?
C6 N2 Pd1 117.4(3) . . ?
C195 N3 C199 119.8(5) . . ?
C195 N3 Pd2 125.4(4) . . ?
C199 N3 Pd2 114.6(4) . . ?
C204 N4 C200 120.4(5) . . ?
C204 N4 Pd2 126.7(4) . . ?
C200 N4 Pd2 112.9(4) . . ?
C211 N5 C207 120.3(4) . . ?
C211 N5 Pd3 114.1(4) . . ?
C207 N5 Pd3 125.6(4) . . ?
C216 N6 C212 119.9(5) . . ?
C216 N6 Pd3 126.0(4) . . ?
C212 N6 Pd3 114.1(4) . . ?
C39 N7 C35 121.2(3) . . ?
C39 N7 Pd4 113.1(3) . . ?
C35 N7 Pd4 125.0(3) . . ?
C44 N8 C40 122.1(3) . . ?
C44 N8 Pd4 125.8(3) . . ?
C40 N8 Pd4 112.0(2) . . ?
C47 N9 C51 118.0(3) . . ?
C47 N9 Pd5 125.6(3) . . ?
C51 N9 Pd5 116.3(3) . . ?
C56 N10 C52 126.6(3) . . ?
C56 N10 Pd5 123.7(3) . . ?
C52 N10 Pd5 109.5(2) . . ?
C85 N11 C81 120.4(4) . . ?
C85 N11 Pd6 114.5(3) . . ?
C81 N11 Pd6 125.0(3) . . ?
C90 N12 C86 117.4(3) . . ?
C90 N12 Pd6 125.6(3) . . ?
C86 N12 Pd6 117.0(3) . . ?
C165 N13 C161 118.1(5) . . ?
C165 N13 Pd7 117.7(4) . . ?
C161 N13 Pd7 124.2(4) . . ?
C170 N14 C166 120.4(5) . . ?
C170 N14 Pd7 126.8(4) . . ?
C166 N14 Pd7 112.6(4) . . ?
C177 N15 C173 120.0(5) . . ?
C177 N15 Pd8 114.3(4) . . ?
C173 N15 Pd8 125.8(4) . . ?
C178 N16 C182 122.8(5) . . ?
C178 N16 Pd8 114.3(4) . . ?
C182 N16 Pd8 122.7(4) . . ?
C119 N17 C115 117.5(3) . . ?
C119 N17 Pd9 114.1(3) . . ?
C115 N17 Pd9 128.0(3) . . ?
C124 N18 C120 119.4(4) . . ?
C124 N18 Pd9 125.8(3) . . ?
C120 N18 Pd9 114.8(3) . . ?
C131 N19 C127 122.2(3) . . ?
C131 N19 Pd10 116.4(3) . . ?
C127 N19 Pd10 120.9(3) . . ?
C136 N20 C132 119.1(3) . . ?
C136 N20 Pd10 129.1(3) . . ?
C132 N20 Pd10 111.7(2) . . ?
C14 N21 N22 110.8(4) . . ?
C14 N21 Pd1 129.7(3) . . ?
N22 N21 Pd1 118.6(4) . . ?
N21 N22 C16 108.2(4) . . ?
C191 N23 N24 105.8(4) . . ?
C191 N23 Pd2 130.1(4) . . ?
N24 N23 Pd2 121.8(3) . . ?
C193 N24 N23 110.0(4) . . ?
C193 N24 Pd3 134.0(4) . . ?
N23 N24 Pd3 113.1(4) . . ?
C220 N25 N26 108.7(5) . . ?
C220 N25 Pd2 133.2(4) . . ?
N26 N25 Pd2 117.3(3) . . ?
C222 N26 N25 106.4(4) . . ?
C222 N26 Pd3 134.6(4) . . ?
N25 N26 Pd3 116.3(3) . . ?
C31 N27 N28 106.2(4) . . ?
C31 N27 Pd4 132.2(3) . . ?
N28 N27 Pd4 118.8(3) . . ?
C33 N28 N27 110.3(4) . . ?
C33 N28 Pd5 131.6(3) . . ?
N27 N28 Pd5 114.6(3) . . ?
N30 N29 C60 105.2(3) . . ?
N30 N29 Pd4 121.4(3) . . ?
C60 N29 Pd4 132.0(3) . . ?
C62 N30 N29 111.4(3) . . ?
C62 N30 Pd5 134.7(3) . . ?
N29 N30 Pd5 113.1(3) . . ?
C77 N31 N32 106.4(3) . . ?
C77 N31 Pd6 131.2(3) . . ?
N32 N31 Pd6 121.1(3) . . ?
C79 N32 N31 106.8(3) . . ?
C79 N32 H32 126.6 . . ?
N31 N32 H32 126.6 . . ?
C94 N33 N34 108.3(3) . . ?
C94 N33 Pd6 127.2(3) . . ?
N34 N33 Pd6 119.6(3) . . ?
C96 N34 N33 110.9(3) . . ?
N36 N35 C157 107.8(3) . . ?
N36 N35 Pd7 118.1(3) . . ?
C157 N35 Pd7 126.7(3) . . ?
N35 N36 C159 107.5(3) . . ?
N35 N36 Pd8 120.0(3) . . ?
C159 N36 Pd8 131.2(3) . . ?
N38 N37 C188 108.8(4) . . ?
N38 N37 Pd7 122.0(3) . . ?
C188 N37 Pd7 128.7(4) . . ?
C186 N38 N37 108.1(4) . . ?
C186 N38 Pd8 134.2(4) . . ?
N37 N38 Pd8 114.6(3) . . ?
N40 N39 C140 108.7(3) . . ?
N40 N39 Pd9 119.2(3) . . ?
C140 N39 Pd9 129.9(3) . . ?
N39 N40 C142 109.5(4) . . ?
N39 N40 Pd10 117.5(3) . . ?
C142 N40 Pd10 131.6(3) . . ?
N42 N41 C111 108.7(4) . . ?
N42 N41 Pd9 117.7(3) . . ?
C111 N41 Pd9 127.5(3) . . ?
C113 N42 N41 109.4(4) . . ?
C113 N42 Pd10 128.6(3) . . ?
N41 N42 Pd10 118.0(3) . . ?
C227 N43 N44 107.7(5) . . ?
C227 N43 Pd1 125.0(5) . . ?
N44 N43 Pd1 122.9(4) . . ?
N43 N44 C225 107.7(5) . . ?
N43 N44 H44A 126.1 . . ?
C225 N44 H44A 126.1 . . ?
O15 N45 O14 120.2(6) . . ?
O15 N45 O13 120.7(6) . . ?
O14 N45 O13 119.0(6) . . ?
O1 N46 O3 118.2(6) . . ?
O1 N46 O2 120.9(6) . . ?
O3 N46 O2 120.5(5) . . ?
O22 N47 O23 134.0(8) . . ?
O22 N47 O24 114.8(6) . . ?
O23 N47 O24 111.1(6) . . ?
O12 N48 O10 119.1(6) . . ?
O12 N48 O11 122.0(5) . . ?
O10 N48 O11 119.0(6) . . ?
O4 N49 O6 117.8(5) . . ?
O4 N49 O5 121.3(6) . . ?
O6 N49 O5 120.8(5) . . ?
O8 N50 O9 116.9(6) . . ?
O8 N50 O7 121.7(5) . . ?
O9 N50 O7 121.4(5) . . ?
O17 N51 O16 116.4(5) . . ?
O17 N51 O18 123.7(6) . . ?
O16 N51 O18 119.9(6) . . ?
O21 N52 O19 118.7(5) . . ?
O21 N52 O20 123.6(5) . . ?
O19 N52 O20 117.7(5) . . ?
O27 N53 O26 117.0(5) . . ?
O27 N53 O25 122.1(5) . . ?
O26 N53 O25 120.9(5) . . ?
O29 N54 O30 118.7(7) . . ?
O29 N54 O28 126.0(7) . . ?
O30 N54 O28 115.3(7) . . ?
N2 Pd1 N1 81.9(2) . . ?
N2 Pd1 N43 178.0(2) . . ?
N1 Pd1 N43 97.5(2) . . ?
N2 Pd1 N21 95.36(19) . . ?
N1 Pd1 N21 176.4(2) . . ?
N43 Pd1 N21 85.23(19) . . ?
N23 Pd2 N4 177.8(2) . . ?
N23 Pd2 N3 100.3(2) . . ?
N4 Pd2 N3 81.9(2) . . ?
N23 Pd2 N25 83.56(18) . . ?
N4 Pd2 N25 94.2(2) . . ?
N3 Pd2 N25 174.63(18) . . ?
N23 Pd2 Pd3 61.83(13) . . ?
N4 Pd2 Pd3 116.98(14) . . ?
N3 Pd2 Pd3 122.35(13) . . ?
N25 Pd2 Pd3 62.77(13) . . ?
N6 Pd3 N5 80.40(18) . . ?
N6 Pd3 N26 95.71(17) . . ?
N5 Pd3 N26 176.00(19) . . ?
N6 Pd3 N24 176.69(17) . . ?
N5 Pd3 N24 96.35(18) . . ?
N26 Pd3 N24 87.52(17) . . ?
N6 Pd3 Pd2 118.86(13) . . ?
N5 Pd3 Pd2 119.61(13) . . ?
N26 Pd3 Pd2 63.10(13) . . ?
N24 Pd3 Pd2 63.29(13) . . ?
N29 Pd4 N7 178.52(18) . . ?
N29 Pd4 N8 97.98(17) . . ?
N7 Pd4 N8 80.55(17) . . ?
N29 Pd4 N27 86.86(17) . . ?
N7 Pd4 N27 94.61(17) . . ?
N8 Pd4 N27 174.95(16) . . ?
N29 Pd4 Pd5 61.29(13) . . ?
N7 Pd4 Pd5 119.28(14) . . ?
N8 Pd4 Pd5 121.04(12) . . ?
N27 Pd4 Pd5 62.62(12) . . ?
N9 Pd5 N30 175.93(17) . . ?
N9 Pd5 N10 81.52(17) . . ?
N30 Pd5 N10 96.84(17) . . ?
N9 Pd5 N28 95.99(17) . . ?
N30 Pd5 N28 85.69(17) . . ?
N10 Pd5 N28 177.43(17) . . ?
N9 Pd5 Pd4 113.70(12) . . ?
N30 Pd5 Pd4 63.72(12) . . ?
N10 Pd5 Pd4 117.54(11) . . ?
N28 Pd5 Pd4 64.03(13) . . ?
N12 Pd6 N33 96.40(17) . . ?
N12 Pd6 N31 175.37(17) . . ?
N33 Pd6 N31 88.11(17) . . ?
N12 Pd6 N11 79.63(17) . . ?
N33 Pd6 N11 175.60(17) . . ?
N31 Pd6 N11 95.84(17) . . ?
N37 Pd7 N14 177.44(19) . . ?
N37 Pd7 N35 84.20(18) . . ?
N14 Pd7 N35 97.95(19) . . ?
N37 Pd7 N13 96.35(18) . . ?
N14 Pd7 N13 81.43(19) . . ?
N35 Pd7 N13 177.16(17) . . ?
N15 Pd8 N36 176.21(18) . . ?
N15 Pd8 N16 80.70(18) . . ?
N36 Pd8 N16 96.08(18) . . ?
N15 Pd8 N38 97.80(18) . . ?
N36 Pd8 N38 85.40(18) . . ?
N16 Pd8 N38 178.45(18) . . ?
N17 Pd9 N18 80.59(18) . . ?
N17 Pd9 N39 177.36(18) . . ?
N18 Pd9 N39 98.13(17) . . ?
N17 Pd9 N41 96.37(19) . . ?
N18 Pd9 N41 176.69(18) . . ?
N39 Pd9 N41 84.97(18) . . ?
N17 Pd9 Pd10 117.83(14) . . ?
N18 Pd9 Pd10 121.01(12) . . ?
N39 Pd9 Pd10 60.84(13) . . ?
N41 Pd9 Pd10 61.55(13) . . ?
N40 Pd10 N42 82.51(18) . . ?
N40 Pd10 N20 99.30(17) . . ?
N42 Pd10 N20 177.55(17) . . ?
N40 Pd10 N19 173.55(18) . . ?
N42 Pd10 N19 97.98(19) . . ?
N20 Pd10 N19 80.41(17) . . ?
N40 Pd10 Pd9 62.26(13) . . ?
N42 Pd10 Pd9 62.53(13) . . ?
N20 Pd10 Pd9 119.76(11) . . ?
N19 Pd10 Pd9 112.22(12) . . ?

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
N1 C1 C2 C3 0.5(8) . . . . ?
C1 C2 C3 C4 0.2(9) . . . . ?
C1 C2 C3 C11 -178.5(5) . . . . ?
C2 C3 C4 C5 -0.4(9) . . . . ?
C11 C3 C4 C5 178.2(6) . . . . ?
C3 C4 C5 N1 -0.2(8) . . . . ?
C3 C4 C5 C6 171.3(5) . . . . ?
N1 C5 C6 C7 157.7(5) . . . . ?
C4 C5 C6 C7 -14.1(10) . . . . ?
N1 C5 C6 N2 -14.0(6) . . . . ?
C4 C5 C6 N2 174.2(5) . . . . ?
N2 C6 C7 C8 2.9(8) . . . . ?
C5 C6 C7 C8 -168.1(6) . . . . ?
C6 C7 C8 C9 -2.2(9) . . . . ?
C6 C7 C8 C12 177.6(5) . . . . ?
C7 C8 C9 C10 1.0(9) . . . . ?
C12 C8 C9 C10 -178.8(5) . . . . ?
C8 C9 C10 N2 -0.4(8) . . . . ?
N21 C14 C15 C16 -1.7(6) . . . . ?
C13 C14 C15 C16 167.8(6) . . . . ?
N21 C14 C15 C18 -174.9(4) . . . . ?
C13 C14 C15 C18 -5.4(9) . . . . ?
C14 C15 C16 N22 2.1(6) . . . . ?
C18 C15 C16 N22 174.3(5) . . . . ?
C14 C15 C16 C17 172.3(7) . . . . ?
C18 C15 C16 C17 -15.5(12) . . . . ?
C14 C15 C18 C19 146.0(6) . . . . ?
C16 C15 C18 C19 -25.4(9) . . . . ?
C15 C18 C19 C20 89.8(7) . . . . ?
C15 C18 C19 C24 -83.9(7) . . . . ?
C24 C19 C20 C21 0.0(9) . . . . ?
C18 C19 C20 C21 -173.4(5) . . . . ?
C24 C19 C20 C26 168.6(5) . . . . ?
C18 C19 C20 C26 -4.8(8) . . . . ?
C19 C20 C21 C22 0.0(9) . . . . ?
C26 C20 C21 C22 -168.5(5) . . . . ?
C19 C20 C21 C27 -178.0(5) . . . . ?
C26 C20 C21 C27 13.5(8) . . . . ?
C20 C21 C22 C23 0.0(9) . . . . ?
C27 C21 C22 C23 178.1(5) . . . . ?
C20 C21 C22 C28 172.3(5) . . . . ?
C27 C21 C22 C28 -9.6(8) . . . . ?
C21 C22 C23 C24 0.0(8) . . . . ?
C28 C22 C23 C24 -172.6(5) . . . . ?
C21 C22 C23 C29 -175.6(5) . . . . ?
C28 C22 C23 C29 11.8(8) . . . . ?
C22 C23 C24 C19 0.0(9) . . . . ?
C29 C23 C24 C19 175.8(5) . . . . ?
C22 C23 C24 C25 175.5(5) . . . . ?
C29 C23 C24 C25 -8.6(8) . . . . ?
C20 C19 C24 C23 0.0(9) . . . . ?
C18 C19 C24 C23 173.9(5) . . . . ?
C20 C19 C24 C25 -175.4(5) . . . . ?
C18 C19 C24 C25 -1.5(8) . . . . ?
C22 C21 C27 C32 -48.8(8) . . . . ?
C20 C21 C27 C32 129.2(6) . . . . ?
C22 C23 C29 C192 116.4(6) . . . . ?
C24 C23 C29 C192 -59.3(7) . . . . ?
N27 C31 C32 C33 -0.8(6) . . . . ?
C30 C31 C32 C33 173.3(5) . . . . ?
N27 C31 C32 C27 173.7(5) . . . . ?
C30 C31 C32 C27 -12.1(10) . . . . ?
C21 C27 C32 C31 -33.8(8) . . . . ?
C21 C27 C32 C33 139.7(6) . . . . ?
C31 C32 C33 N28 -1.0(6) . . . . ?
C27 C32 C33 N28 -175.7(5) . . . . ?
C31 C32 C33 C34 177.6(5) . . . . ?
C27 C32 C33 C34 2.9(9) . . . . ?
N7 C35 C36 C37 -0.3(8) . . . . ?
C35 C36 C37 C38 1.2(9) . . . . ?
C35 C36 C37 C45 -172.3(6) . . . . ?
C36 C37 C38 C39 -1.3(9) . . . . ?
C45 C37 C38 C39 171.5(5) . . . . ?
C37 C38 C39 C40 177.5(5) . . . . ?
C37 C38 C39 N7 0.4(8) . . . . ?
N7 C39 C40 N8 -3.6(6) . . . . ?
C38 C39 C40 N8 179.2(4) . . . . ?
N7 C39 C40 C41 176.7(4) . . . . ?
C38 C39 C40 C41 -0.5(9) . . . . ?
C39 C40 C41 C42 -177.3(5) . . . . ?
N8 C40 C41 C42 3.0(7) . . . . ?
C40 C41 C42 C43 -1.6(9) . . . . ?
C40 C41 C42 C46 177.0(5) . . . . ?
C41 C42 C43 C44 -0.2(8) . . . . ?
C46 C42 C43 C44 -178.8(5) . . . . ?
C42 C43 C44 N8 0.4(7) . . . . ?
N9 C47 C48 C49 -6.1(7) . . . . ?
C47 C48 C49 C50 2.8(8) . . . . ?
C47 C48 C49 C57 -178.0(5) . . . . ?
C48 C49 C50 C51 1.7(9) . . . . ?
C57 C49 C50 C51 -177.4(5) . . . . ?
C49 C50 C51 N9 -3.7(9) . . . . ?
C49 C50 C51 C52 176.6(5) . . . . ?
C50 C51 C52 N10 172.4(5) . . . . ?
N9 C51 C52 N10 -7.3(6) . . . . ?
C50 C51 C52 C53 3.8(9) . . . . ?
N9 C51 C52 C53 -176.0(4) . . . . ?
N10 C52 C53 C54 11.3(7) . . . . ?
C51 C52 C53 C54 -179.4(5) . . . . ?
C52 C53 C54 C55 -10.4(8) . . . . ?
C52 C53 C54 C58 178.8(5) . . . . ?
C53 C54 C55 C56 5.6(8) . . . . ?
C58 C54 C55 C56 176.0(5) . . . . ?
C54 C55 C56 N10 -1.8(7) . . . . ?
C59 C60 C61 C62 -178.7(6) . . . . ?
N29 C60 C61 C62 -0.4(5) . . . . ?
C59 C60 C61 C64 6.3(9) . . . . ?
N29 C60 C61 C64 -175.4(4) . . . . ?
C60 C61 C62 N30 3.2(6) . . . . ?
C64 C61 C62 N30 178.1(4) . . . . ?
C60 C61 C62 C63 179.6(5) . . . . ?
C64 C61 C62 C63 -5.5(9) . . . . ?
C62 C61 C64 C65 140.3(6) . . . . ?
C60 C61 C64 C65 -45.9(7) . . . . ?
C61 C64 C65 C66 117.4(6) . . . . ?
C61 C64 C65 C70 -64.2(6) . . . . ?
C70 C65 C66 C67 3.8(8) . . . . ?
C64 C65 C66 C67 -177.8(5) . . . . ?
C70 C65 C66 C72 -176.3(5) . . . . ?
C64 C65 C66 C72 2.1(8) . . . . ?
C65 C66 C67 C68 -0.3(8) . . . . ?
C72 C66 C67 C68 179.8(5) . . . . ?
C65 C66 C67 C73 -177.7(5) . . . . ?
C72 C66 C67 C73 2.4(7) . . . . ?
C66 C67 C68 C69 -4.9(8) . . . . ?
C73 C67 C68 C69 172.4(5) . . . . ?
C66 C67 C68 C74 175.9(5) . . . . ?
C73 C67 C68 C74 -6.8(8) . . . . ?
C67 C68 C69 C70 6.8(8) . . . . ?
C74 C68 C69 C70 -173.9(5) . . . . ?
C67 C68 C69 C75 -174.0(5) . . . . ?
C74 C68 C69 C75 5.3(7) . . . . ?
C68 C69 C70 C65 -3.4(8) . . . . ?
C75 C69 C70 C65 177.4(5) . . . . ?
C68 C69 C70 C71 -178.8(5) . . . . ?
C75 C69 C70 C71 2.0(8) . . . . ?
C66 C65 C70 C69 -1.9(8) . . . . ?
C64 C65 C70 C69 179.6(5) . . . . ?
C66 C65 C70 C71 173.7(5) . . . . ?
C64 C65 C70 C71 -4.8(7) . . . . ?
C66 C67 C73 C221 -65.7(7) . . . . ?
C68 C67 C73 C221 117.0(5) . . . . ?
C70 C69 C75 C78 -73.0(6) . . . . ?
C68 C69 C75 C78 107.9(6) . . . . ?
N31 C77 C78 C79 3.3(6) . . . . ?
C76 C77 C78 C79 179.6(5) . . . . ?
N31 C77 C78 C75 -177.0(4) . . . . ?
C76 C77 C78 C75 -0.6(8) . . . . ?
C69 C75 C78 C79 -30.3(8) . . . . ?
C69 C75 C78 C77 150.0(5) . . . . ?
C77 C78 C79 N32 -1.7(6) . . . . ?
C75 C78 C79 N32 178.5(5) . . . . ?
C77 C78 C79 C80 175.6(6) . . . . ?
C75 C78 C79 C80 -4.1(11) . . . . ?
N11 C81 C82 C83 0.0(8) . . . . ?
C81 C82 C83 C84 -1.1(8) . . . . ?
C81 C82 C83 C91 178.5(5) . . . . ?
C82 C83 C84 C85 2.0(7) . . . . ?
C91 C83 C84 C85 -177.5(5) . . . . ?
C83 C84 C85 N11 -2.0(7) . . . . ?
C83 C84 C85 C86 -177.7(4) . . . . ?
N11 C85 C86 N12 -0.6(6) . . . . ?
C84 C85 C86 N12 175.4(4) . . . . ?
N11 C85 C86 C87 -179.5(5) . . . . ?
C84 C85 C86 C87 -3.5(8) . . . . ?
N12 C86 C87 C88 0.8(8) . . . . ?
C85 C86 C87 C88 179.7(5) . . . . ?
C86 C87 C88 C89 1.4(8) . . . . ?
C86 C87 C88 C92 -178.2(5) . . . . ?
C87 C88 C89 C90 -3.8(7) . . . . ?
C92 C88 C89 C90 175.9(5) . . . . ?
C88 C89 C90 N12 4.8(7) . . . . ?
N33 C94 C95 C96 -0.7(6) . . . . ?
C93 C94 C95 C96 -173.6(6) . . . . ?
N33 C94 C95 C98 175.8(5) . . . . ?
C93 C94 C95 C98 2.9(10) . . . . ?
C94 C95 C96 N34 -2.6(6) . . . . ?
C98 C95 C96 N34 -178.3(6) . . . . ?
C94 C95 C96 C97 176.6(6) . . . . ?
C98 C95 C96 C97 0.9(12) . . . . ?
C96 C95 C98 C99 -36.3(9) . . . . ?
C94 C95 C98 C99 148.4(5) . . . . ?
C95 C98 C99 C104 98.2(7) . . . . ?
C95 C98 C99 C100 -77.5(6) . . . . ?
C104 C99 C100 C101 1.4(9) . . . . ?
C98 C99 C100 C101 177.0(5) . . . . ?
C104 C99 C100 C106 -176.8(5) . . . . ?
C98 C99 C100 C106 -1.2(7) . . . . ?
C99 C100 C101 C102 -0.6(8) . . . . ?
C106 C100 C101 C102 177.6(5) . . . . ?
C99 C100 C101 C107 179.8(5) . . . . ?
C106 C100 C101 C107 -1.9(7) . . . . ?
C100 C101 C102 C103 2.2(8) . . . . ?
C107 C101 C102 C103 -178.3(5) . . . . ?
C100 C101 C102 C108 -177.3(4) . . . . ?
C107 C101 C102 C108 2.2(8) . . . . ?
C101 C102 C103 C104 -4.5(8) . . . . ?
C108 C102 C103 C104 175.0(5) . . . . ?
C101 C102 C103 C109 -177.3(5) . . . . ?
C108 C102 C103 C109 2.2(7) . . . . ?
C100 C99 C104 C103 -3.4(9) . . . . ?
C98 C99 C104 C103 -178.8(5) . . . . ?
C100 C99 C104 C105 172.2(5) . . . . ?
C98 C99 C104 C105 -3.2(9) . . . . ?
C102 C103 C104 C99 4.9(8) . . . . ?
C109 C103 C104 C99 177.6(5) . . . . ?
C102 C103 C104 C105 -171.2(5) . . . . ?
C109 C103 C104 C105 1.5(8) . . . . ?
C102 C101 C107 C187 117.8(5) . . . . ?
C100 C101 C107 C187 -62.6(7) . . . . ?
C104 C103 C109 C112 117.1(6) . . . . ?
C102 C103 C109 C112 -70.1(6) . . . . ?
N41 C111 C112 C113 -0.2(6) . . . . ?
C110 C111 C112 C113 177.7(6) . . . . ?
N41 C111 C112 C109 176.8(5) . . . . ?
C110 C111 C112 C109 -5.3(11) . . . . ?
C103 C109 C112 C111 -23.6(9) . . . . ?
C103 C109 C112 C113 153.0(5) . . . . ?
C111 C112 C113 N42 -0.3(6) . . . . ?
C109 C112 C113 N42 -177.7(4) . . . . ?
C111 C112 C113 C114 -178.4(5) . . . . ?
C109 C112 C113 C114 4.2(9) . . . . ?
N17 C115 C116 C117 -1.1(9) . . . . ?
C115 C116 C117 C118 -1.8(10) . . . . ?
C115 C116 C117 C125 176.9(5) . . . . ?
C116 C117 C118 C119 -0.8(10) . . . . ?
C125 C117 C118 C119 -179.5(5) . . . . ?
C117 C118 C119 N17 6.3(8) . . . . ?
C117 C118 C119 C120 173.9(6) . . . . ?
N17 C119 C120 N18 -3.0(6) . . . . ?
C118 C119 C120 N18 -170.7(5) . . . . ?
N17 C119 C120 C121 -177.2(5) . . . . ?
C118 C119 C120 C121 15.1(9) . . . . ?
N18 C120 C121 C122 10.3(9) . . . . ?
C119 C120 C121 C122 -175.7(6) . . . . ?
C120 C121 C122 C123 -7.4(9) . . . . ?
C120 C121 C122 C126 178.5(5) . . . . ?
C121 C122 C123 C124 2.6(9) . . . . ?
C126 C122 C123 C124 176.8(5) . . . . ?
C122 C123 C124 N18 -0.7(9) . . . . ?
N19 C127 C128 C129 4.2(6) . . . . ?
C127 C128 C129 C130 -6.3(7) . . . . ?
C127 C128 C129 C137 -179.4(4) . . . . ?
C128 C129 C130 C131 7.2(8) . . . . ?
C137 C129 C130 C131 -179.5(5) . . . . ?
C129 C130 C131 N19 -5.8(8) . . . . ?
C129 C130 C131 C132 179.3(5) . . . . ?
N19 C131 C132 C133 175.2(4) . . . . ?
C130 C131 C132 C133 -9.5(9) . . . . ?
N19 C131 C132 N20 -8.7(6) . . . . ?
C130 C131 C132 N20 166.6(4) . . . . ?
N20 C132 C133 C134 3.4(7) . . . . ?
C131 C132 C133 C134 179.5(5) . . . . ?
C132 C133 C134 C135 -3.9(8) . . . . ?
C132 C133 C134 C138 178.8(5) . . . . ?
C133 C134 C135 C136 2.0(7) . . . . ?
C138 C134 C135 C136 179.5(5) . . . . ?
C134 C135 C136 N20 0.0(8) . . . . ?
N39 C140 C141 C142 -0.6(5) . . . . ?
C139 C140 C141 C142 179.0(5) . . . . ?
N39 C140 C141 C144 -178.0(4) . . . . ?
C139 C140 C141 C144 1.7(9) . . . . ?
C140 C141 C142 N40 2.1(6) . . . . ?
C144 C141 C142 N40 179.5(5) . . . . ?
C140 C141 C142 C143 171.3(5) . . . . ?
C144 C141 C142 C143 -11.3(10) . . . . ?
C140 C141 C144 C145 -49.3(8) . . . . ?
C142 C141 C144 C145 133.8(6) . . . . ?
C141 C144 C145 C146 -60.8(7) . . . . ?
C141 C144 C145 C150 121.5(6) . . . . ?
C150 C145 C146 C147 -6.0(8) . . . . ?
C144 C145 C146 C147 176.2(5) . . . . ?
C150 C145 C146 C152 168.6(5) . . . . ?
C144 C145 C146 C152 -9.2(7) . . . . ?
C145 C146 C147 C148 1.3(9) . . . . ?
C152 C146 C147 C148 -173.2(5) . . . . ?
C145 C146 C147 C153 -160.4(5) . . . . ?
C152 C146 C147 C153 25.1(8) . . . . ?
C146 C147 C148 C149 5.7(9) . . . . ?
C153 C147 C148 C149 167.0(5) . . . . ?
C146 C147 C148 C154 -176.1(5) . . . . ?
C153 C147 C148 C154 -14.8(8) . . . . ?
C147 C148 C149 C150 -7.8(9) . . . . ?
C154 C148 C149 C150 173.8(5) . . . . ?
C147 C148 C149 C155 169.3(5) . . . . ?
C154 C148 C149 C155 -9.0(8) . . . . ?
C148 C149 C150 C145 3.1(9) . . . . ?
C155 C149 C150 C145 -174.1(5) . . . . ?
C148 C149 C150 C151 -179.7(5) . . . . ?
C155 C149 C150 C151 3.1(8) . . . . ?
C146 C145 C150 C149 3.9(8) . . . . ?
C144 C145 C150 C149 -178.3(5) . . . . ?
C146 C145 C150 C151 -173.2(5) . . . . ?
C144 C145 C150 C151 4.6(8) . . . . ?
C146 C147 C153 C226 -87.0(6) . . . . ?
C148 C147 C153 C226 111.4(5) . . . . ?
C148 C149 C155 C158 107.5(6) . . . . ?
C150 C149 C155 C158 -75.3(6) . . . . ?
N35 C157 C158 C159 3.3(6) . . . . ?
C156 C157 C158 C159 -175.4(5) . . . . ?
N35 C157 C158 C155 -173.8(4) . . . . ?
C156 C157 C158 C155 7.6(9) . . . . ?
C149 C155 C158 C159 -22.1(9) . . . . ?
C149 C155 C158 C157 154.1(5) . . . . ?
C157 C158 C159 N36 -8.0(6) . . . . ?
C155 C158 C159 N36 168.7(5) . . . . ?
C157 C158 C159 C160 178.1(5) . . . . ?
C155 C158 C159 C160 -5.3(11) . . . . ?
N13 C161 C162 C163 -0.4(8) . . . . ?
C161 C162 C163 C164 0.9(8) . . . . ?
C161 C162 C163 C171 -178.7(5) . . . . ?
C162 C163 C164 C165 -0.4(8) . . . . ?
C171 C163 C164 C165 179.3(5) . . . . ?
C163 C164 C165 N13 -0.7(8) . . . . ?
C163 C164 C165 C166 179.1(6) . . . . ?
N13 C165 C166 N14 -2.0(7) . . . . ?
C164 C165 C166 N14 178.2(6) . . . . ?
N13 C165 C166 C167 174.3(5) . . . . ?
C164 C165 C166 C167 -5.6(10) . . . . ?
N14 C166 C167 C168 1.5(9) . . . . ?
C165 C166 C167 C168 -174.7(6) . . . . ?
C166 C167 C168 C169 -2.3(10) . . . . ?
C166 C167 C168 C172 -179.6(6) . . . . ?
C167 C168 C169 C170 2.3(9) . . . . ?
C172 C168 C169 C170 179.5(5) . . . . ?
C168 C169 C170 N14 -1.4(8) . . . . ?
N15 C173 C174 C175 3.1(9) . . . . ?
C173 C174 C175 C176 -2.1(9) . . . . ?
C173 C174 C175 C183 171.2(6) . . . . ?
C174 C175 C176 C177 -1.8(8) . . . . ?
C183 C175 C176 C177 -175.1(5) . . . . ?
C175 C176 C177 N15 4.7(8) . . . . ?
C175 C176 C177 C178 -174.2(5) . . . . ?
N15 C177 C178 N16 4.4(6) . . . . ?
C176 C177 C178 N16 -176.5(5) . . . . ?
N15 C177 C178 C179 -175.8(5) . . . . ?
C176 C177 C178 C179 3.2(8) . . . . ?
N16 C178 C179 C180 -0.6(8) . . . . ?
C177 C178 C179 C180 179.6(5) . . . . ?
C178 C179 C180 C181 -1.8(9) . . . . ?
C178 C179 C180 C184 -179.0(5) . . . . ?
C179 C180 C181 C182 0.6(10) . . . . ?
C184 C180 C181 C182 177.9(5) . . . . ?
C180 C181 C182 N16 2.7(9) . . . . ?
N38 C186 C187 C188 1.8(6) . . . . ?
C185 C186 C187 C188 178.4(5) . . . . ?
N38 C186 C187 C107 -176.4(5) . . . . ?
C185 C186 C187 C107 0.3(9) . . . . ?
C101 C107 C187 C186 -43.9(6) . . . . ?
C101 C107 C187 C188 138.2(4) . . . . ?
C186 C187 C188 N37 -0.2(5) . . . . ?
C107 C187 C188 N37 178.2(4) . . . . ?
C186 C187 C188 C189 172.1(6) . . . . ?
C107 C187 C188 C189 -9.5(9) . . . . ?
N23 C191 C192 C193 -5.0(6) . . . . ?
C190 C191 C192 C193 -175.4(5) . . . . ?
N23 C191 C192 C29 179.1(4) . . . . ?
C190 C191 C192 C29 8.7(10) . . . . ?
C23 C29 C192 C191 119.3(5) . . . . ?
C23 C29 C192 C193 -55.8(6) . . . . ?
C191 C192 C193 N24 4.6(6) . . . . ?
C29 C192 C193 N24 -179.4(4) . . . . ?
C191 C192 C193 C194 179.6(6) . . . . ?
C29 C192 C193 C194 -4.4(9) . . . . ?
N3 C195 C196 C197 11.6(9) . . . . ?
C195 C196 C197 C198 -12.5(8) . . . . ?
C195 C196 C197 C205 -179.0(5) . . . . ?
C196 C197 C198 C199 14.6(9) . . . . ?
C205 C197 C198 C199 -178.5(5) . . . . ?
C197 C198 C199 N3 -15.2(9) . . . . ?
C197 C198 C199 C200 173.9(6) . . . . ?
N3 C199 C200 C201 -177.7(6) . . . . ?
C198 C199 C200 C201 -6.8(10) . . . . ?
N3 C199 C200 N4 0.5(7) . . . . ?
C198 C199 C200 N4 171.3(5) . . . . ?
N4 C200 C201 C202 3.6(8) . . . . ?
C199 C200 C201 C202 -178.3(6) . . . . ?
C200 C201 C202 C203 -3.9(8) . . . . ?
C200 C201 C202 C206 172.2(5) . . . . ?
C201 C202 C203 C204 2.2(8) . . . . ?
C206 C202 C203 C204 -174.0(5) . . . . ?
C202 C203 C204 N4 -0.5(9) . . . . ?
N5 C207 C208 C209 1.3(9) . . . . ?
C207 C208 C209 C210 -1.6(9) . . . . ?
C207 C208 C209 C217 -179.8(6) . . . . ?
C208 C209 C210 C211 2.1(9) . . . . ?
C217 C209 C210 C211 -179.6(6) . . . . ?
C209 C210 C211 N5 -2.3(9) . . . . ?
C209 C210 C211 C212 -178.7(6) . . . . ?
N5 C211 C212 C213 -173.2(5) . . . . ?
C210 C211 C212 C213 3.4(10) . . . . ?
N5 C211 C212 N6 -0.3(8) . . . . ?
C210 C211 C212 N6 176.3(5) . . . . ?
C211 C212 C213 C214 176.4(6) . . . . ?
N6 C212 C213 C214 3.8(9) . . . . ?
C212 C213 C214 C215 -2.6(9) . . . . ?
C212 C213 C214 C218 178.6(5) . . . . ?
C213 C214 C215 C216 1.5(8) . . . . ?
C218 C214 C215 C216 -179.6(5) . . . . ?
C214 C215 C216 N6 -1.7(8) . . . . ?
N25 C220 C221 C222 -0.9(7) . . . . ?
C219 C220 C221 C222 176.4(6) . . . . ?
N25 C220 C221 C73 -176.3(5) . . . . ?
C219 C220 C221 C73 1.0(11) . . . . ?
C67 C73 C221 C220 139.6(5) . . . . ?
C67 C73 C221 C222 -34.2(8) . . . . ?
C220 C221 C222 N26 -0.1(7) . . . . ?
C73 C221 C222 N26 174.5(5) . . . . ?
C220 C221 C222 C223 178.3(6) . . . . ?
C73 C221 C222 C223 -7.1(10) . . . . ?
N44 C225 C226 C227 -1.9(7) . . . . ?
C224 C225 C226 C227 167.5(6) . . . . ?
N44 C225 C226 C153 -176.0(5) . . . . ?
C224 C225 C226 C153 -6.6(12) . . . . ?
C147 C153 C226 C225 -33.2(7) . . . . ?
C147 C153 C226 C227 153.2(4) . . . . ?
C225 C226 C227 N43 1.9(7) . . . . ?
C153 C226 C227 N43 177.2(4) . . . . ?
C225 C226 C227 C228 -171.6(6) . . . . ?
C153 C226 C227 C228 3.6(10) . . . . ?
C2 C1 N1 C5 -1.1(7) . . . . ?
C2 C1 N1 Pd1 178.8(4) . . . . ?
C4 C5 N1 C1 0.9(7) . . . . ?
C6 C5 N1 C1 -171.6(4) . . . . ?
C4 C5 N1 Pd1 -179.0(4) . . . . ?
C6 C5 N1 Pd1 8.5(5) . . . . ?
C9 C10 N2 C6 1.2(6) . . . . ?
C9 C10 N2 Pd1 157.4(4) . . . . ?
C7 C6 N2 C10 -2.5(6) . . . . ?
C5 C6 N2 C10 170.1(4) . . . . ?
C7 C6 N2 Pd1 -159.0(4) . . . . ?
C5 C6 N2 Pd1 13.5(5) . . . . ?
C196 C195 N3 C199 -11.7(8) . . . . ?
C196 C195 N3 Pd2 173.6(4) . . . . ?
C198 C199 N3 C195 12.7(8) . . . . ?
C200 C199 N3 C195 -175.7(5) . . . . ?
C198 C199 N3 Pd2 -172.0(4) . . . . ?
C200 C199 N3 Pd2 -0.4(6) . . . . ?
C203 C204 N4 C200 0.1(8) . . . . ?
C203 C204 N4 Pd2 -179.5(4) . . . . ?
C201 C200 N4 C204 -1.6(8) . . . . ?
C199 C200 N4 C204 180.0(5) . . . . ?
C201 C200 N4 Pd2 178.1(4) . . . . ?
C199 C200 N4 Pd2 -0.4(6) . . . . ?
C212 C211 N5 C207 178.7(5) . . . . ?
C210 C211 N5 C207 1.9(8) . . . . ?
C212 C211 N5 Pd3 -2.9(6) . . . . ?
C210 C211 N5 Pd3 -179.7(4) . . . . ?
C208 C207 N5 C211 -1.4(8) . . . . ?
C208 C207 N5 Pd3 -179.7(4) . . . . ?
C215 C216 N6 C212 2.9(8) . . . . ?
C215 C216 N6 Pd3 -177.6(4) . . . . ?
C211 C212 N6 C216 -177.2(5) . . . . ?
C213 C212 N6 C216 -3.9(8) . . . . ?
C211 C212 N6 Pd3 3.3(7) . . . . ?
C213 C212 N6 Pd3 176.5(4) . . . . ?
C40 C39 N7 C35 -176.8(4) . . . . ?
C38 C39 N7 C35 0.5(6) . . . . ?
C40 C39 N7 Pd4 12.1(5) . . . . ?
C38 C39 N7 Pd4 -170.6(4) . . . . ?
C36 C35 N7 C39 -0.6(7) . . . . ?
C36 C35 N7 Pd4 169.5(4) . . . . ?
C43 C44 N8 C40 1.1(6) . . . . ?
C43 C44 N8 Pd4 -174.2(3) . . . . ?
C39 C40 N8 C44 177.6(4) . . . . ?
C41 C40 N8 C44 -2.7(6) . . . . ?
C39 C40 N8 Pd4 -6.6(5) . . . . ?
C41 C40 N8 Pd4 173.2(3) . . . . ?
C48 C47 N9 C51 4.4(6) . . . . ?
C48 C47 N9 Pd5 -179.7(3) . . . . ?
C50 C51 N9 C47 0.4(7) . . . . ?
C52 C51 N9 C47 -179.9(4) . . . . ?
C50 C51 N9 Pd5 -175.9(4) . . . . ?
C52 C51 N9 Pd5 3.9(5) . . . . ?
C55 C56 N10 C52 3.8(6) . . . . ?
C55 C56 N10 Pd5 178.5(3) . . . . ?
C51 C52 N10 C56 -177.9(4) . . . . ?
C53 C52 N10 C56 -8.3(6) . . . . ?
C51 C52 N10 Pd5 6.8(5) . . . . ?
C53 C52 N10 Pd5 176.3(3) . . . . ?
C84 C85 N11 C81 1.0(7) . . . . ?
C86 C85 N11 C81 176.7(4) . . . . ?
C84 C85 N11 Pd6 -175.2(4) . . . . ?
C86 C85 N11 Pd6 0.5(5) . . . . ?
C82 C81 N11 C85 0.1(7) . . . . ?
C82 C81 N11 Pd6 175.9(4) . . . . ?
C89 C90 N12 C86 -2.7(6) . . . . ?
C89 C90 N12 Pd6 177.6(4) . . . . ?
C87 C86 N12 C90 -0.4(6) . . . . ?
C85 C86 N12 C90 -179.4(4) . . . . ?
C87 C86 N12 Pd6 179.3(4) . . . . ?
C85 C86 N12 Pd6 0.3(5) . . . . ?
C164 C165 N13 C161 1.2(8) . . . . ?
C166 C165 N13 C161 -178.6(5) . . . . ?
C164 C165 N13 Pd7 -178.1(4) . . . . ?
C166 C165 N13 Pd7 2.1(6) . . . . ?
C162 C161 N13 C165 -0.6(7) . . . . ?
C162 C161 N13 Pd7 178.6(4) . . . . ?
C169 C170 N14 C166 0.5(8) . . . . ?
C169 C170 N14 Pd7 174.3(4) . . . . ?
C167 C166 N14 C170 -0.6(8) . . . . ?
C165 C166 N14 C170 175.6(5) . . . . ?
C167 C166 N14 Pd7 -175.2(5) . . . . ?
C165 C166 N14 Pd7 1.0(6) . . . . ?
C176 C177 N15 C173 -3.7(7) . . . . ?
C178 C177 N15 C173 175.3(4) . . . . ?
C176 C177 N15 Pd8 176.1(4) . . . . ?
C178 C177 N15 Pd8 -4.8(5) . . . . ?
C174 C173 N15 C177 -0.2(8) . . . . ?
C174 C173 N15 Pd8 179.9(4) . . . . ?
C179 C178 N16 C182 4.3(8) . . . . ?
C177 C178 N16 C182 -175.9(5) . . . . ?
C179 C178 N16 Pd8 178.4(4) . . . . ?
C177 C178 N16 Pd8 -1.8(6) . . . . ?
C181 C182 N16 C178 -5.1(8) . . . . ?
C181 C182 N16 Pd8 -178.8(4) . . . . ?
C120 C119 N17 C115 -177.7(4) . . . . ?
C118 C119 N17 C115 -8.6(6) . . . . ?
C120 C119 N17 Pd9 9.1(5) . . . . ?
C118 C119 N17 Pd9 178.2(4) . . . . ?
C116 C115 N17 C119 6.7(6) . . . . ?
C116 C115 N17 Pd9 178.8(4) . . . . ?
C123 C124 N18 C120 3.6(7) . . . . ?
C123 C124 N18 Pd9 -174.5(4) . . . . ?
C121 C120 N18 C124 -7.9(6) . . . . ?
C119 C120 N18 C124 177.3(4) . . . . ?
C121 C120 N18 Pd9 170.4(4) . . . . ?
C119 C120 N18 Pd9 -4.4(5) . . . . ?
C130 C131 N19 C127 4.1(7) . . . . ?
C132 C131 N19 C127 179.4(4) . . . . ?
C130 C131 N19 Pd10 -167.8(4) . . . . ?
C132 C131 N19 Pd10 7.5(5) . . . . ?
C128 C127 N19 C131 -3.1(6) . . . . ?
C128 C127 N19 Pd10 168.4(3) . . . . ?
C135 C136 N20 C132 -0.5(6) . . . . ?
C135 C136 N20 Pd10 175.8(4) . . . . ?
C133 C132 N20 C136 -1.0(5) . . . . ?
C131 C132 N20 C136 -177.6(4) . . . . ?
C133 C132 N20 Pd10 -177.9(3) . . . . ?
C131 C132 N20 Pd10 5.5(5) . . . . ?
C15 C14 N21 N22 0.7(5) . . . . ?
C13 C14 N21 N22 -168.7(5) . . . . ?
C15 C14 N21 Pd1 169.2(3) . . . . ?
C13 C14 N21 Pd1 -0.1(7) . . . . ?
C14 N21 N22 C16 0.6(5) . . . . ?
Pd1 N21 N22 C16 -169.4(3) . . . . ?
C15 C16 N22 N21 -1.6(5) . . . . ?
C17 C16 N22 N21 -173.9(4) . . . . ?
C192 C191 N23 N24 3.7(6) . . . . ?
C190 C191 N23 N24 175.3(4) . . . . ?
C192 C191 N23 Pd2 -158.9(4) . . . . ?
C190 C191 N23 Pd2 12.7(7) . . . . ?
C192 C193 N24 N23 -2.4(6) . . . . ?
C194 C193 N24 N23 -178.0(4) . . . . ?
C192 C193 N24 Pd3 156.1(4) . . . . ?
C194 C193 N24 Pd3 -19.4(8) . . . . ?
C191 N23 N24 C193 -0.7(6) . . . . ?
Pd2 N23 N24 C193 163.6(4) . . . . ?
C191 N23 N24 Pd3 -164.1(3) . . . . ?
Pd2 N23 N24 Pd3 0.3(4) . . . . ?
C221 C220 N25 N26 1.6(7) . . . . ?
C219 C220 N25 N26 -176.2(5) . . . . ?
C221 C220 N25 Pd2 170.9(4) . . . . ?
C219 C220 N25 Pd2 -6.9(9) . . . . ?
C221 C222 N26 N25 1.0(7) . . . . ?
C223 C222 N26 N25 -177.4(5) . . . . ?
C221 C222 N26 Pd3 -158.6(4) . . . . ?
C223 C222 N26 Pd3 23.0(9) . . . . ?
C220 N25 N26 C222 -1.6(6) . . . . ?
Pd2 N25 N26 C222 -172.9(4) . . . . ?
C220 N25 N26 Pd3 162.4(4) . . . . ?
Pd2 N25 N26 Pd3 -8.9(5) . . . . ?
C32 C31 N27 N28 2.2(4) . . . . ?
C30 C31 N27 N28 -172.8(4) . . . . ?
C32 C31 N27 Pd4 -157.8(3) . . . . ?
C30 C31 N27 Pd4 27.2(6) . . . . ?
C32 C33 N28 N27 2.4(5) . . . . ?
C34 C33 N28 N27 -176.3(4) . . . . ?
C32 C33 N28 Pd5 159.6(3) . . . . ?
C34 C33 N28 Pd5 -19.1(7) . . . . ?
C31 N27 N28 C33 -2.9(4) . . . . ?
Pd4 N27 N28 C33 160.3(3) . . . . ?
C31 N27 N28 Pd5 -164.3(2) . . . . ?
Pd4 N27 N28 Pd5 -1.1(4) . . . . ?
C59 C60 N29 N30 176.4(4) . . . . ?
C61 C60 N29 N30 -2.2(4) . . . . ?
C59 C60 N29 Pd4 -17.3(6) . . . . ?
C61 C60 N29 Pd4 164.2(3) . . . . ?
C61 C62 N30 N29 -4.9(5) . . . . ?
C63 C62 N30 N29 178.3(4) . . . . ?
C61 C62 N30 Pd5 -174.1(3) . . . . ?
C63 C62 N30 Pd5 9.1(6) . . . . ?
C60 N29 N30 C62 4.4(4) . . . . ?
Pd4 N29 N30 C62 -163.8(2) . . . . ?
C60 N29 N30 Pd5 176.0(2) . . . . ?
Pd4 N29 N30 Pd5 7.9(4) . . . . ?
C78 C77 N31 N32 -3.4(4) . . . . ?
C76 C77 N31 N32 -179.9(4) . . . . ?
C78 C77 N31 Pd6 163.3(3) . . . . ?
C76 C77 N31 Pd6 -13.2(6) . . . . ?
C78 C79 N32 N31 -0.2(5) . . . . ?
C80 C79 N32 N31 -178.1(4) . . . . ?
C77 N31 N32 C79 2.2(4) . . . . ?
Pd6 N31 N32 C79 -166.1(3) . . . . ?
C95 C94 N33 N34 3.6(4) . . . . ?
C93 C94 N33 N34 178.2(4) . . . . ?
C95 C94 N33 Pd6 158.5(3) . . . . ?
C93 C94 N33 Pd6 -26.8(6) . . . . ?
C95 C96 N34 N33 5.1(5) . . . . ?
C97 C96 N34 N33 -174.3(4) . . . . ?
C94 N33 N34 C96 -5.5(5) . . . . ?
Pd6 N33 N34 C96 -162.6(3) . . . . ?
C158 C157 N35 N36 2.6(4) . . . . ?
C156 C157 N35 N36 -178.6(4) . . . . ?
C158 C157 N35 Pd7 151.5(3) . . . . ?
C156 C157 N35 Pd7 -29.7(6) . . . . ?
C157 N35 N36 C159 -7.4(4) . . . . ?
Pd7 N35 N36 C159 -159.5(2) . . . . ?
C157 N35 N36 Pd8 161.1(2) . . . . ?
Pd7 N35 N36 Pd8 9.1(5) . . . . ?
C158 C159 N36 N35 9.7(5) . . . . ?
C160 C159 N36 N35 -175.3(3) . . . . ?
C158 C159 N36 Pd8 -157.1(3) . . . . ?
C160 C159 N36 Pd8 17.9(6) . . . . ?
C187 C188 N37 N38 -1.3(5) . . . . ?
C189 C188 N37 N38 -175.3(4) . . . . ?
C187 C188 N37 Pd7 -173.3(3) . . . . ?
C189 C188 N37 Pd7 12.6(6) . . . . ?
C187 C186 N38 N37 -2.6(6) . . . . ?
C185 C186 N38 N37 -179.5(4) . . . . ?
C187 C186 N38 Pd8 155.6(4) . . . . ?
C185 C186 N38 Pd8 -21.3(8) . . . . ?
C188 N37 N38 C186 2.4(5) . . . . ?
Pd7 N37 N38 C186 175.0(3) . . . . ?
C188 N37 N38 Pd8 -160.6(3) . . . . ?
Pd7 N37 N38 Pd8 12.1(4) . . . . ?
C141 C140 N39 N40 -1.3(4) . . . . ?
C139 C140 N39 N40 179.1(3) . . . . ?
C141 C140 N39 Pd9 161.6(3) . . . . ?
C139 C140 N39 Pd9 -18.1(5) . . . . ?
C140 N39 N40 C142 2.6(4) . . . . ?
Pd9 N39 N40 C142 -162.3(2) . . . . ?
C140 N39 N40 Pd10 170.6(2) . . . . ?
Pd9 N39 N40 Pd10 5.6(5) . . . . ?
C141 C142 N40 N39 -3.0(4) . . . . ?
C143 C142 N40 N39 -174.2(4) . . . . ?
C141 C142 N40 Pd10 -168.6(3) . . . . ?
C143 C142 N40 Pd10 20.2(6) . . . . ?
C112 C111 N41 N42 0.6(5) . . . . ?
C110 C111 N41 N42 -177.5(4) . . . . ?
C112 C111 N41 Pd9 -150.7(3) . . . . ?
C110 C111 N41 Pd9 31.2(6) . . . . ?
C112 C113 N42 N41 0.7(5) . . . . ?
C114 C113 N42 N41 179.0(4) . . . . ?
C112 C113 N42 Pd10 157.3(3) . . . . ?
C114 C113 N42 Pd10 -24.5(6) . . . . ?
C111 N41 N42 C113 -0.8(5) . . . . ?
Pd9 N41 N42 C113 153.7(3) . . . . ?
C111 N41 N42 Pd10 -160.2(3) . . . . ?
Pd9 N41 N42 Pd10 -5.7(5) . . . . ?
C226 C227 N43 N44 -1.1(7) . . . . ?
C228 C227 N43 N44 173.6(5) . . . . ?
C226 C227 N43 Pd1 155.6(4) . . . . ?
C228 C227 N43 Pd1 -29.7(8) . . . . ?
C227 N43 N44 C225 -0.1(6) . . . . ?
Pd1 N43 N44 C225 -157.3(4) . . . . ?
C226 C225 N44 N43 1.3(7) . . . . ?
C224 C225 N44 N43 -169.7(5) . . . . ?
C10 N2 Pd1 N1 -164.1(4) . . . . ?
C6 N2 Pd1 N1 -7.4(3) . . . . ?
C10 N2 Pd1 N21 13.6(4) . . . . ?
C6 N2 Pd1 N21 170.3(3) . . . . ?
C1 N1 Pd1 N2 179.1(4) . . . . ?
C5 N1 Pd1 N2 -0.9(3) . . . . ?
C1 N1 Pd1 N43 1.0(4) . . . . ?
C5 N1 Pd1 N43 -179.1(3) . . . . ?
C227 N43 Pd1 N1 90.9(5) . . . . ?
N44 N43 Pd1 N1 -115.8(4) . . . . ?
C227 N43 Pd1 N21 -86.7(5) . . . . ?
N44 N43 Pd1 N21 66.6(4) . . . . ?
C14 N21 Pd1 N2 97.7(4) . . . . ?
N22 N21 Pd1 N2 -94.6(4) . . . . ?
C14 N21 Pd1 N43 -84.2(4) . . . . ?
N22 N21 Pd1 N43 83.5(4) . . . . ?
C191 N23 Pd2 N3 -78.7(5) . . . . ?
N24 N23 Pd2 N3 121.1(4) . . . . ?
C191 N23 Pd2 N25 97.5(5) . . . . ?
N24 N23 Pd2 N25 -62.7(4) . . . . ?
C191 N23 Pd2 Pd3 160.0(5) . . . . ?
N24 N23 Pd2 Pd3 -0.2(3) . . . . ?
C204 N4 Pd2 N3 179.8(5) . . . . ?
C200 N4 Pd2 N3 0.1(4) . . . . ?
C204 N4 Pd2 N25 3.5(5) . . . . ?
C200 N4 Pd2 N25 -176.1(4) . . . . ?
C204 N4 Pd2 Pd3 -58.0(5) . . . . ?
C200 N4 Pd2 Pd3 122.4(3) . . . . ?
C195 N3 Pd2 N23 -4.9(5) . . . . ?
C199 N3 Pd2 N23 -179.8(4) . . . . ?
C195 N3 Pd2 N4 175.1(5) . . . . ?
C199 N3 Pd2 N4 0.1(4) . . . . ?
C195 N3 Pd2 Pd3 58.2(5) . . . . ?
C199 N3 Pd2 Pd3 -116.8(4) . . . . ?
C220 N25 Pd2 N23 -101.4(6) . . . . ?
N26 N25 Pd2 N23 67.2(4) . . . . ?
C220 N25 Pd2 N4 78.7(6) . . . . ?
N26 N25 Pd2 N4 -112.6(4) . . . . ?
C220 N25 Pd2 Pd3 -163.0(6) . . . . ?
N26 N25 Pd2 Pd3 5.6(3) . . . . ?
C216 N6 Pd3 N5 176.8(4) . . . . ?
C212 N6 Pd3 N5 -3.7(4) . . . . ?
C216 N6 Pd3 N26 -4.2(4) . . . . ?
C212 N6 Pd3 N26 175.3(4) . . . . ?
C216 N6 Pd3 Pd2 58.2(4) . . . . ?
C212 N6 Pd3 Pd2 -122.3(4) . . . . ?
C211 N5 Pd3 N6 3.6(4) . . . . ?
C207 N5 Pd3 N6 -178.1(4) . . . . ?
C211 N5 Pd3 N24 -175.8(4) . . . . ?
C207 N5 Pd3 N24 2.6(4) . . . . ?
C211 N5 Pd3 Pd2 121.4(3) . . . . ?
C207 N5 Pd3 Pd2 -60.2(4) . . . . ?
C222 N26 Pd3 N6 -76.7(6) . . . . ?
N25 N26 Pd3 N6 125.1(4) . . . . ?
C222 N26 Pd3 N24 102.5(6) . . . . ?
N25 N26 Pd3 N24 -55.6(4) . . . . ?
C222 N26 Pd3 Pd2 163.7(6) . . . . ?
N25 N26 Pd3 Pd2 5.6(3) . . . . ?
C193 N24 Pd3 N5 81.8(5) . . . . ?
N23 N24 Pd3 N5 -120.2(3) . . . . ?
C193 N24 Pd3 N26 -97.2(5) . . . . ?
N23 N24 Pd3 N26 60.8(3) . . . . ?
C193 N24 Pd3 Pd2 -158.2(5) . . . . ?
N23 N24 Pd3 Pd2 -0.2(3) . . . . ?
N23 Pd2 Pd3 N6 177.28(19) . . . . ?
N4 Pd2 Pd3 N6 -4.8(2) . . . . ?
N3 Pd2 Pd3 N6 93.0(2) . . . . ?
N25 Pd2 Pd3 N6 -85.1(2) . . . . ?
N23 Pd2 Pd3 N5 81.9(2) . . . . ?
N4 Pd2 Pd3 N5 -100.2(2) . . . . ?
N3 Pd2 Pd3 N5 -2.4(2) . . . . ?
N25 Pd2 Pd3 N5 179.5(2) . . . . ?
N23 Pd2 Pd3 N26 -101.47(19) . . . . ?
N4 Pd2 Pd3 N26 76.4(2) . . . . ?
N3 Pd2 Pd3 N26 174.3(2) . . . . ?
N25 Pd2 Pd3 N26 -3.9(2) . . . . ?
N23 Pd2 Pd3 N24 0.12(19) . . . . ?
N4 Pd2 Pd3 N24 178.0(2) . . . . ?
N3 Pd2 Pd3 N24 -84.2(2) . . . . ?
N25 Pd2 Pd3 N24 97.7(2) . . . . ?
N30 N29 Pd4 N8 -126.3(4) . . . . ?
C60 N29 Pd4 N8 69.2(4) . . . . ?
N30 N29 Pd4 N27 55.2(4) . . . . ?
C60 N29 Pd4 N27 -109.4(4) . . . . ?
N30 N29 Pd4 Pd5 -5.1(3) . . . . ?
C60 N29 Pd4 Pd5 -169.7(4) . . . . ?
C39 N7 Pd4 N8 -12.0(3) . . . . ?
C35 N7 Pd4 N8 177.3(4) . . . . ?
C39 N7 Pd4 N27 166.6(3) . . . . ?
C35 N7 Pd4 N27 -4.2(4) . . . . ?
C39 N7 Pd4 Pd5 -132.4(2) . . . . ?
C35 N7 Pd4 Pd5 56.9(4) . . . . ?
C44 N8 Pd4 N29 5.5(3) . . . . ?
C40 N8 Pd4 N29 -170.2(2) . . . . ?
C44 N8 Pd4 N7 -174.3(3) . . . . ?
C40 N8 Pd4 N7 10.0(2) . . . . ?
C44 N8 Pd4 Pd5 -55.7(3) . . . . ?
C40 N8 Pd4 Pd5 128.6(2) . . . . ?
C31 N27 Pd4 N29 99.6(4) . . . . ?
N28 N27 Pd4 N29 -58.4(3) . . . . ?
C31 N27 Pd4 N7 -80.5(4) . . . . ?
N28 N27 Pd4 N7 121.5(3) . . . . ?
C47 N9 Pd5 N10 -176.3(3) . . . . ?
C51 N9 Pd5 N10 -0.4(3) . . . . ?
C47 N9 Pd5 N28 4.3(3) . . . . ?
C51 N9 Pd5 N28 -179.8(3) . . . . ?
C47 N9 Pd5 Pd4 -59.9(3) . . . . ?
C51 N9 Pd5 Pd4 116.0(3) . . . . ?
C62 N30 Pd5 N10 -78.1(4) . . . . ?
N29 N30 Pd5 N10 112.8(3) . . . . ?
C62 N30 Pd5 N28 101.4(4) . . . . ?
N29 N30 Pd5 N28 -67.7(3) . . . . ?
C62 N30 Pd5 Pd4 164.5(4) . . . . ?
N29 N30 Pd5 Pd4 -4.6(3) . . . . ?
C56 N10 Pd5 N9 -178.8(3) . . . . ?
C52 N10 Pd5 N9 -3.3(2) . . . . ?
C56 N10 Pd5 N30 5.0(3) . . . . ?
C52 N10 Pd5 N30 -179.5(2) . . . . ?
C56 N10 Pd5 Pd4 68.8(3) . . . . ?
C52 N10 Pd5 Pd4 -115.7(2) . . . . ?
C33 N28 Pd5 N9 90.7(4) . . . . ?
N27 N28 Pd5 N9 -112.8(3) . . . . ?
C33 N28 Pd5 N30 -93.0(4) . . . . ?
N27 N28 Pd5 N30 63.5(3) . . . . ?
C33 N28 Pd5 Pd4 -155.8(4) . . . . ?
N27 N28 Pd5 Pd4 0.7(3) . . . . ?
N29 Pd4 Pd5 N9 -173.17(19) . . . . ?
N7 Pd4 Pd5 N9 5.3(2) . . . . ?
N8 Pd4 Pd5 N9 -91.5(2) . . . . ?
N27 Pd4 Pd5 N9 84.52(19) . . . . ?
N29 Pd4 Pd5 N30 3.36(19) . . . . ?
N7 Pd4 Pd5 N30 -178.2(2) . . . . ?
N8 Pd4 Pd5 N30 85.03(19) . . . . ?
N27 Pd4 Pd5 N30 -98.95(18) . . . . ?
N29 Pd4 Pd5 N10 -80.46(19) . . . . ?
N7 Pd4 Pd5 N10 97.98(19) . . . . ?
N8 Pd4 Pd5 N10 1.21(19) . . . . ?
N27 Pd4 Pd5 N10 177.23(18) . . . . ?
N29 Pd4 Pd5 N28 101.83(19) . . . . ?
N7 Pd4 Pd5 N28 -79.7(2) . . . . ?
N8 Pd4 Pd5 N28 -176.50(19) . . . . ?
N27 Pd4 Pd5 N28 -0.49(18) . . . . ?
C90 N12 Pd6 N33 -2.3(3) . . . . ?
C86 N12 Pd6 N33 178.0(3) . . . . ?
C86 N12 Pd6 N11 -0.1(3) . . . . ?
C94 N33 Pd6 N12 91.6(3) . . . . ?
N34 N33 Pd6 N12 -116.0(4) . . . . ?
C94 N33 Pd6 N31 -89.5(3) . . . . ?
N34 N33 Pd6 N31 62.9(4) . . . . ?
C77 N31 Pd6 N33 -100.9(4) . . . . ?
N32 N31 Pd6 N33 64.2(4) . . . . ?
C77 N31 Pd6 N11 77.1(4) . . . . ?
N32 N31 Pd6 N11 -117.8(4) . . . . ?
C85 N11 Pd6 N12 -0.3(3) . . . . ?
C81 N11 Pd6 N12 -176.3(3) . . . . ?
C85 N11 Pd6 N31 -179.4(3) . . . . ?
C81 N11 Pd6 N31 4.6(3) . . . . ?
N38 N37 Pd7 N35 -67.5(4) . . . . ?
C188 N37 Pd7 N35 103.6(4) . . . . ?
N38 N37 Pd7 N13 115.3(4) . . . . ?
C188 N37 Pd7 N13 -73.6(4) . . . . ?
C166 N14 Pd7 N35 -177.1(4) . . . . ?
C170 N14 Pd7 N13 -174.1(5) . . . . ?
C166 N14 Pd7 N13 0.1(4) . . . . ?
N36 N35 Pd7 N37 54.3(3) . . . . ?
C157 N35 Pd7 N37 -91.9(3) . . . . ?
N36 N35 Pd7 N14 -127.1(3) . . . . ?
C157 N35 Pd7 N14 86.7(3) . . . . ?
C161 N13 Pd7 N37 -1.8(4) . . . . ?
C165 N13 Pd7 N14 -1.3(4) . . . . ?
C161 N13 Pd7 N14 179.4(4) . . . . ?
C177 N15 Pd8 N38 -176.6(3) . . . . ?
C173 N15 Pd8 N38 3.3(4) . . . . ?
N35 N36 Pd8 N16 115.0(4) . . . . ?
C159 N36 Pd8 N16 -79.5(4) . . . . ?
N35 N36 Pd8 N38 -65.4(4) . . . . ?
C159 N36 Pd8 N38 100.0(4) . . . . ?
C178 N16 Pd8 N15 -0.6(4) . . . . ?
C182 N16 Pd8 N15 173.6(4) . . . . ?
C178 N16 Pd8 N36 177.4(4) . . . . ?
C182 N16 Pd8 N36 -8.5(4) . . . . ?
C186 N38 Pd8 N15 72.7(5) . . . . ?
N37 N38 Pd8 N15 -130.2(3) . . . . ?
C186 N38 Pd8 N36 -105.3(5) . . . . ?
N37 N38 Pd8 N36 51.8(3) . . . . ?
C119 N17 Pd9 N18 -8.8(3) . . . . ?
C115 N17 Pd9 N18 178.9(4) . . . . ?
C119 N17 Pd9 N41 169.9(3) . . . . ?
C115 N17 Pd9 N41 -2.5(4) . . . . ?
C119 N17 Pd9 Pd10 -129.0(2) . . . . ?
C115 N17 Pd9 Pd10 58.7(4) . . . . ?
C124 N18 Pd9 N17 -174.6(3) . . . . ?
C120 N18 Pd9 N17 7.2(3) . . . . ?
C124 N18 Pd9 N39 3.0(3) . . . . ?
C120 N18 Pd9 N39 -175.1(3) . . . . ?
C124 N18 Pd9 Pd10 -57.7(3) . . . . ?
C120 N18 Pd9 Pd10 124.1(3) . . . . ?
N40 N39 Pd9 N18 -124.6(4) . . . . ?
C140 N39 Pd9 N18 74.1(3) . . . . ?
N40 N39 Pd9 N41 56.6(4) . . . . ?
C140 N39 Pd9 N41 -104.7(3) . . . . ?
N40 N39 Pd9 Pd10 -3.5(3) . . . . ?
C140 N39 Pd9 Pd10 -164.8(4) . . . . ?
N42 N41 Pd9 N17 121.9(4) . . . . ?
C111 N41 Pd9 N17 -89.1(4) . . . . ?
N42 N41 Pd9 N39 -55.9(4) . . . . ?
C111 N41 Pd9 N39 93.2(4) . . . . ?
N42 N41 Pd9 Pd10 3.6(3) . . . . ?
C111 N41 Pd9 Pd10 152.6(4) . . . . ?
N39 N40 Pd10 N20 115.4(3) . . . . ?
C142 N40 Pd10 N20 -79.9(4) . . . . ?
N39 N40 Pd10 Pd9 -3.5(3) . . . . ?
C142 N40 Pd10 Pd9 161.3(4) . . . . ?
C113 N42 Pd10 N40 -88.7(4) . . . . ?
N41 N42 Pd10 N40 66.2(4) . . . . ?
C113 N42 Pd10 Pd9 -151.2(4) . . . . ?
N41 N42 Pd10 Pd9 3.6(3) . . . . ?
C136 N20 Pd10 N40 8.8(4) . . . . ?
C132 N20 Pd10 N40 -174.7(2) . . . . ?
C136 N20 Pd10 N19 -177.8(3) . . . . ?
C132 N20 Pd10 N19 -1.3(2) . . . . ?
C136 N20 Pd10 Pd9 72.0(3) . . . . ?
C132 N20 Pd10 Pd9 -111.5(2) . . . . ?
C131 N19 Pd10 N42 178.2(3) . . . . ?
C127 N19 Pd10 N42 6.3(3) . . . . ?
C131 N19 Pd10 N20 -3.6(3) . . . . ?
C127 N19 Pd10 N20 -175.5(3) . . . . ?
C131 N19 Pd10 Pd9 114.7(3) . . . . ?
C127 N19 Pd10 Pd9 -57.2(3) . . . . ?
N17 Pd9 Pd10 N40 179.7(2) . . . . ?
N18 Pd9 Pd10 N40 83.9(2) . . . . ?
N39 Pd9 Pd10 N40 2.31(19) . . . . ?
N41 Pd9 Pd10 N40 -98.5(2) . . . . ?
N17 Pd9 Pd10 N42 -84.1(2) . . . . ?
N18 Pd9 Pd10 N42 -179.9(2) . . . . ?
N39 Pd9 Pd10 N42 98.5(2) . . . . ?
N41 Pd9 Pd10 N42 -2.4(2) . . . . ?
N17 Pd9 Pd10 N20 94.9(2) . . . . ?
N18 Pd9 Pd10 N20 -0.9(2) . . . . ?
N39 Pd9 Pd10 N20 -82.50(19) . . . . ?
N41 Pd9 Pd10 N20 176.7(2) . . . . ?
N17 Pd9 Pd10 N19 3.4(2) . . . . ?
N18 Pd9 Pd10 N19 -92.4(2) . . . . ?
N39 Pd9 Pd10 N19 -174.01(19) . . . . ?
N41 Pd9 Pd10 N19 85.2(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.564
_refine_diff_density_min         -1.490
_refine_diff_density_rms         0.102
_database_code_depnum_ccdc_archive 'CCDC 1007901'
