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#$Date: 2019-11-17 10:37:18 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229380 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/50/7045009.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7045009
loop_
_publ_author_name
'Krebs, K. M.'
'Freitag, S.'
'Maudrich, J.-J.'
'Schubert, H.'
'Sirsch, P.'
'Wesemann, L.'
_publ_section_title
;
 Coordination chemistry of stannylene-based Lewis pairs - insertion into
 M-Cl and M-C bonds. From base stabilized stannylenes to bidentate
 ligands.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              83
_journal_page_last               95
_journal_paper_doi               10.1039/c7dt04044j
_journal_volume                  47
_journal_year                    2017
_chemical_formula_sum            'C228.5 H271 P4 Pd2 Sn4'
_chemical_formula_weight         3828.88
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2017-09-20 deposited with the CCDC.
2017-12-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 118.378(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.3699(12)
_cell_length_b                   23.0190(9)
_cell_length_c                   31.7092(12)
_cell_measurement_reflns_used    9792
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.12
_cell_measurement_theta_min      2.72
_cell_volume                     19503.6(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            316738
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.152
_diffrn_reflns_theta_min         2.287
_exptl_absorpt_coefficient_mu    0.771
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6644
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_description       prism
_exptl_crystal_F_000             7976
_exptl_crystal_size_max          0.446
_exptl_crystal_size_mid          0.329
_exptl_crystal_size_min          0.281
_refine_diff_density_max         2.659
_refine_diff_density_min         -1.223
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2209
_refine_ls_number_reflns         43063
_refine_ls_number_restraints     189
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0077P)²+111.7844P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0977
_refine_ls_wR_factor_ref         0.1157
_reflns_Friedel_coverage         0.000
_reflns_number_gt                33794
_reflns_number_total             43063
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt04044j2.cif
_cod_data_source_block           KK301_0m
_cod_depositor_comments
'Adding full bibliography for 7045009--7045016.cif.'
_cod_original_formula_sum        'C228.50 H271 P4 Pd2 Sn4'
_cod_database_code               7045009
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.725
_shelx_estimated_absorpt_t_max   0.812
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Pd1 Pd 0.26335(2) 0.69663(2) 0.60831(2) 0.01768(6) Uani 1 1 d . . .
C1 C 0.26085(15) 0.67110(18) 0.71940(13) 0.0226(8) Uani 1 1 d . . .
Sn1 Sn 0.30188(2) 0.73019(2) 0.69552(2) 0.01904(6) Uani 1 1 d . . .
P1 P 0.20123(4) 0.65414(4) 0.62042(3) 0.0208(2) Uani 1 1 d . . .
Pd2 Pd 0.23827(2) 0.20209(2) 0.39464(2) 0.01848(6) Uani 1 1 d . . .
C2 C 0.27160(16) 0.66323(19) 0.76724(14) 0.0258(8) Uani 1 1 d . . .
H2 H 0.2988 0.6840 0.7917 0.031 Uiso 1 1 calc R U .
Sn2 Sn 0.22719(2) 0.72476(2) 0.51988(2) 0.01921(6) Uani 1 1 d . . .
P2 P 0.31801(4) 0.63635(4) 0.59764(3) 0.0200(2) Uani 1 1 d . . .
Sn3 Sn 0.20991(2) 0.23526(2) 0.45516(2) 0.02002(6) Uani 1 1 d . . .
C3 C 0.24393(17) 0.6263(2) 0.77984(14) 0.0299(9) Uani 1 1 d . . .
H3 H 0.2528 0.6209 0.8126 0.036 Uiso 1 1 calc R U .
P3 P 0.29034(4) 0.13915(4) 0.45553(3) 0.01994(19) Uani 1 1 d . . .
Sn4 Sn 0.26727(2) 0.24858(2) 0.33745(2) 0.02051(6) Uani 1 1 d . . .
C4 C 0.20299(18) 0.5971(2) 0.74439(16) 0.0332(10) Uani 1 1 d . . .
H4 H 0.1836 0.5719 0.7527 0.040 Uiso 1 1 calc R U .
P4 P 0.18108(4) 0.15200(5) 0.32683(3) 0.0228(2) Uani 1 1 d . . .
C222 C 0.0707(4) 0.5984(6) 0.6864(4) 0.119(3) Uani 1 1 d . U .
H222 H 0.0820 0.6300 0.6748 0.143 Uiso 1 1 calc R U .
C221 C 0.0661(3) 0.5395(5) 0.6633(5) 0.115(3) Uani 1 1 d . U .
H221 H 0.0703 0.5306 0.6362 0.138 Uiso 1 1 calc R U .
C220 C 0.0548(4) 0.5026(5) 0.6896(3) 0.106(3) Uani 1 1 d . U .
H220 H 0.0577 0.4622 0.6853 0.127 Uiso 1 1 calc R U .
C219 C 0.0396(3) 0.5185(6) 0.7214(4) 0.119(3) Uani 1 1 d . U .
H219 H 0.0246 0.4888 0.7310 0.142 Uiso 1 1 calc R U .
C218 C 0.0430(4) 0.5724(6) 0.7421(4) 0.118(3) Uani 1 1 d . U .
H218 H 0.0341 0.5799 0.7666 0.141 Uiso 1 1 calc R U .
C217 C 0.0593(3) 0.6099(5) 0.7246(3) 0.097(3) Uani 1 1 d . U .
H217 H 0.0643 0.6482 0.7372 0.116 Uiso 1 1 calc R U .
C216 C 0.38856(18) 0.1195(2) 0.53020(16) 0.0361(10) Uani 1 1 d . . .
H216 H 0.3827 0.0795 0.5221 0.043 Uiso 1 1 calc R U .
C215 C 0.4319(2) 0.1363(3) 0.57075(17) 0.0477(14) Uani 1 1 d . . .
H215 H 0.4554 0.1078 0.5903 0.057 Uiso 1 1 calc R U .
C214 C 0.4409(2) 0.1942(3) 0.58259(18) 0.0510(16) Uani 1 1 d . . .
H214 H 0.4701 0.2057 0.6108 0.061 Uiso 1 1 calc R U .
C213 C 0.4076(2) 0.2350(3) 0.5536(2) 0.0531(16) Uani 1 1 d . . .
H213 H 0.4143 0.2751 0.5612 0.064 Uiso 1 1 calc R U .
C212 C 0.36392(18) 0.2185(2) 0.51314(19) 0.0388(11) Uani 1 1 d . . .
H212 H 0.3410 0.2474 0.4935 0.047 Uiso 1 1 calc R U .
C211 C 0.35345(15) 0.16088(18) 0.50119(14) 0.0240(8) Uani 1 1 d . . .
C210 C 0.33449(17) 0.06889(19) 0.41552(16) 0.0297(9) Uani 1 1 d . . .
H210 H 0.3504 0.1038 0.4141 0.036 Uiso 1 1 calc R U .
C209 C 0.34400(19) 0.0177(2) 0.39823(17) 0.0361(11) Uani 1 1 d . . .
H209 H 0.3664 0.0177 0.3852 0.043 Uiso 1 1 calc R U .
C208 C 0.32092(18) -0.03346(19) 0.39998(16) 0.0326(10) Uani 1 1 d . . .
H208 H 0.3280 -0.0687 0.3887 0.039 Uiso 1 1 calc R U .
C207 C 0.28769(17) -0.03314(18) 0.41810(15) 0.0288(9) Uani 1 1 d . . .
H207 H 0.2715 -0.0681 0.4189 0.035 Uiso 1 1 calc R U .
C206 C 0.27772(17) 0.01803(18) 0.43519(15) 0.0270(9) Uani 1 1 d . . .
H206 H 0.2543 0.0179 0.4471 0.032 Uiso 1 1 calc R U .
C205 C 0.30164(15) 0.06959(17) 0.43501(13) 0.0218(8) Uani 1 1 d . . .
C204 C 0.08359(18) 0.1588(3) 0.24639(17) 0.0422(12) Uani 1 1 d . . .
H204 H 0.0867 0.1185 0.2420 0.051 Uiso 1 1 calc R U .
C203 C 0.04186(18) 0.1889(3) 0.21353(18) 0.0526(16) Uani 1 1 d . . .
H203 H 0.0169 0.1692 0.1864 0.063 Uiso 1 1 calc R U .
C202 C 0.0362(2) 0.2467(3) 0.21966(18) 0.0527(16) Uani 1 1 d . . .
H202 H 0.0074 0.2669 0.1968 0.063 Uiso 1 1 calc R U .
C201 C 0.0723(2) 0.2759(3) 0.25925(19) 0.0481(13) Uani 1 1 d . . .
H201 H 0.0683 0.3159 0.2638 0.058 Uiso 1 1 calc R U .
C200 C 0.11472(18) 0.2460(2) 0.29234(17) 0.0361(10) Uani 1 1 d . . .
H200 H 0.1394 0.2660 0.3195 0.043 Uiso 1 1 calc R U .
C199 C 0.12127(16) 0.1876(2) 0.28612(14) 0.0291(9) Uani 1 1 d . . .
C198 C 0.1797(2) 0.0287(2) 0.33238(16) 0.0393(11) Uani 1 1 d . . .
H198 H 0.2068 0.0284 0.3253 0.047 Uiso 1 1 calc R U .
C197 C 0.1613(2) -0.0237(2) 0.33958(19) 0.0498(15) Uani 1 1 d . . .
H197 H 0.1748 -0.0595 0.3362 0.060 Uiso 1 1 calc R U .
C196 C 0.1232(3) -0.0233(3) 0.3516(2) 0.065(2) Uani 1 1 d . . .
H196 H 0.1101 -0.0589 0.3560 0.078 Uiso 1 1 calc R U .
C195 C 0.1039(3) 0.0286(3) 0.3574(3) 0.074(2) Uani 1 1 d . . .
H195 H 0.0788 0.0286 0.3671 0.089 Uiso 1 1 calc R U .
C194 C 0.1212(3) 0.0809(3) 0.3490(2) 0.0572(17) Uani 1 1 d . . .
H194 H 0.1074 0.1165 0.3524 0.069 Uiso 1 1 calc R U .
C193 C 0.15892(19) 0.0814(2) 0.33545(15) 0.0346(11) Uani 1 1 d . . .
C192 C 0.0969(2) 0.6701(3) 0.5902(2) 0.0508(14) Uani 1 1 d . . .
H192 H 0.0920 0.6301 0.5818 0.061 Uiso 1 1 calc R U .
C191 C 0.0569(2) 0.7041(4) 0.5867(2) 0.067(2) Uani 1 1 d . . .
H191 H 0.0250 0.6867 0.5762 0.081 Uiso 1 1 calc R U .
C190 C 0.0633(3) 0.7616(4) 0.5981(2) 0.074(2) Uani 1 1 d . . .
H190 H 0.0360 0.7842 0.5954 0.088 Uiso 1 1 calc R U .
C189 C 0.1090(3) 0.7863(4) 0.6133(2) 0.075(2) Uani 1 1 d . . .
H189 H 0.1135 0.8264 0.6214 0.090 Uiso 1 1 calc R U .
C188 C 0.1488(2) 0.7537(3) 0.61701(18) 0.0516(15) Uani 1 1 d . . .
H188 H 0.1804 0.7718 0.6273 0.062 Uiso 1 1 calc R U .
C187 C 0.14365(16) 0.6950(2) 0.60605(14) 0.0331(10) Uani 1 1 d . . .
C186 C 0.14420(18) 0.5825(2) 0.54243(15) 0.0341(10) Uani 1 1 d . . .
H186 H 0.1342 0.6176 0.5246 0.041 Uiso 1 1 calc R U .
C185 C 0.1254(2) 0.5297(2) 0.51969(16) 0.0396(12) Uani 1 1 d . . .
H185 H 0.1021 0.5291 0.4864 0.048 Uiso 1 1 calc R U .
C184 C 0.14010(17) 0.47807(19) 0.54478(16) 0.0316(10) Uani 1 1 d . . .
H184 H 0.1264 0.4422 0.5292 0.038 Uiso 1 1 calc R U .
C183 C 0.17504(17) 0.47911(19) 0.59302(15) 0.0297(9) Uani 1 1 d . . .
H183 H 0.1860 0.4438 0.6104 0.036 Uiso 1 1 calc R U .
C182 C 0.19392(16) 0.53174(19) 0.61581(14) 0.0273(9) Uani 1 1 d . . .
H182 H 0.2184 0.5319 0.6487 0.033 Uiso 1 1 calc R U .
C181 C 0.17787(15) 0.58419(18) 0.59170(14) 0.0247(8) Uani 1 1 d . . .
C180 C 0.42357(17) 0.6209(2) 0.63308(16) 0.0328(10) Uani 1 1 d . . .
H180 H 0.4205 0.5841 0.6450 0.039 Uiso 1 1 calc R U .
C179 C 0.46942(18) 0.6377(2) 0.63672(18) 0.0389(11) Uani 1 1 d . . .
H179 H 0.4975 0.6124 0.6513 0.047 Uiso 1 1 calc R U .
C178 C 0.47410(18) 0.6907(2) 0.61913(16) 0.0361(10) Uani 1 1 d . . .
H178 H 0.5051 0.7018 0.6209 0.043 Uiso 1 1 calc R U .
C177 C 0.43338(19) 0.7277(2) 0.59885(17) 0.0372(11) Uani 1 1 d . . .
H177 H 0.4364 0.7644 0.5868 0.045 Uiso 1 1 calc R U .
C176 C 0.38813(17) 0.71148(19) 0.59604(15) 0.0302(9) Uani 1 1 d . . .
H176 H 0.3607 0.7377 0.5828 0.036 Uiso 1 1 calc R U .
C175 C 0.38244(16) 0.65739(18) 0.61226(13) 0.0240(8) Uani 1 1 d . . .
C174 C 0.35558(16) 0.55973(18) 0.67563(14) 0.0261(9) Uani 1 1 d . . .
H174 H 0.3735 0.5924 0.6942 0.031 Uiso 1 1 calc R U .
C173 C 0.35975(18) 0.5067(2) 0.69777(15) 0.0323(10) Uani 1 1 d . . .
H173 H 0.3813 0.5030 0.7313 0.039 Uiso 1 1 calc R U .
C172 C 0.33282(18) 0.45884(19) 0.67160(15) 0.0308(9) Uani 1 1 d . . .
H172 H 0.3360 0.4224 0.6869 0.037 Uiso 1 1 calc R U .
C171 C 0.30122(17) 0.46481(19) 0.62287(15) 0.0293(9) Uani 1 1 d . . .
H171 H 0.2824 0.4324 0.6047 0.035 Uiso 1 1 calc R U .
C170 C 0.29699(16) 0.51761(18) 0.60050(15) 0.0268(9) Uani 1 1 d . . .
H170 H 0.2746 0.5213 0.5672 0.032 Uiso 1 1 calc R U .
C169 C 0.32509(15) 0.56565(17) 0.62606(14) 0.0217(8) Uani 1 1 d . . .
C168 C 0.0980(3) 0.3694(3) 0.3671(2) 0.0561(16) Uani 1 1 d . . .
H16A H 0.0648 0.3701 0.3388 0.084 Uiso 1 1 calc R U .
H16B H 0.1204 0.3445 0.3608 0.084 Uiso 1 1 calc R U .
H16C H 0.1116 0.4090 0.3742 0.084 Uiso 1 1 calc R U .
C167 C 0.0572(2) 0.3827(2) 0.4186(2) 0.0539(15) Uani 1 1 d . . .
H16D H 0.0669 0.4237 0.4210 0.081 Uiso 1 1 calc R U .
H16E H 0.0580 0.3704 0.4485 0.081 Uiso 1 1 calc R U .
H16F H 0.0233 0.3777 0.3919 0.081 Uiso 1 1 calc R U .
C166 C 0.09375(18) 0.3458(2) 0.40964(17) 0.0374(11) Uani 1 1 d . . .
H166 H 0.1274 0.3501 0.4384 0.045 Uiso 1 1 calc R U .
C165 C -0.0277(4) 0.1198(4) 0.3102(3) 0.126(4) Uani 1 1 d . U .
H16G H -0.0572 0.1117 0.2793 0.189 Uiso 1 1 calc R U .
H16H H -0.0373 0.1197 0.3356 0.189 Uiso 1 1 calc R U .
H16I H -0.0023 0.0898 0.3168 0.189 Uiso 1 1 calc R U .
C164 C -0.0499(3) 0.2188(5) 0.2814(3) 0.121(5) Uani 1 1 d . . .
H16J H -0.0733 0.2021 0.2502 0.182 Uiso 1 1 calc R U .
H16K H -0.0366 0.2555 0.2765 0.182 Uiso 1 1 calc R U .
H16L H -0.0674 0.2260 0.3001 0.182 Uiso 1 1 calc R U .
C163 C -0.00727(19) 0.1767(2) 0.30825(17) 0.0416(12) Uani 1 1 d . . .
H163 H 0.0113 0.1723 0.2895 0.050 Uiso 1 1 calc R U .
C162 C 0.1124(2) 0.0899(2) 0.4815(2) 0.0493(14) Uani 1 1 d . . .
H16M H 0.0836 0.0691 0.4567 0.074 Uiso 1 1 calc R U .
H16N H 0.1254 0.0687 0.5118 0.074 Uiso 1 1 calc R U .
H16O H 0.1386 0.0931 0.4719 0.074 Uiso 1 1 calc R U .
C161 C 0.0539(2) 0.1483(3) 0.5012(2) 0.0493(13) Uani 1 1 d . . .
H16P H 0.0243 0.1304 0.4749 0.074 Uiso 1 1 calc R U .
H16Q H 0.0455 0.1876 0.5068 0.074 Uiso 1 1 calc R U .
H16R H 0.0647 0.1250 0.5303 0.074 Uiso 1 1 calc R U .
C160 C 0.09610(19) 0.1512(2) 0.48789(17) 0.0361(10) Uani 1 1 d . . .
H160 H 0.1255 0.1700 0.5152 0.043 Uiso 1 1 calc R U .
C159 C 0.08106(17) 0.1893(2) 0.44403(16) 0.0312(9) Uani 1 1 d . . .
C158 C 0.04723(18) 0.1675(2) 0.39898(17) 0.0337(10) Uani 1 1 d . . .
H158 H 0.0360 0.1285 0.3965 0.040 Uiso 1 1 calc R U .
C157 C 0.02952(17) 0.2008(2) 0.35782(16) 0.0365(11) Uani 1 1 d . . .
C156 C 0.04616(18) 0.2581(2) 0.36230(18) 0.0411(12) Uani 1 1 d . . .
H156 H 0.0341 0.2815 0.3343 0.049 Uiso 1 1 calc R U .
C155 C 0.07970(17) 0.2821(2) 0.40602(16) 0.0341(10) Uani 1 1 d . . .
C154 C 0.09836(16) 0.24651(19) 0.44745(15) 0.0275(9) Uani 1 1 d . . .
C153 C 0.2415(2) 0.4035(2) 0.43350(16) 0.0375(11) Uani 1 1 d . . .
H15A H 0.2101 0.4142 0.4052 0.056 Uiso 1 1 calc R U .
H15B H 0.2555 0.3689 0.4264 0.056 Uiso 1 1 calc R U .
H15C H 0.2654 0.4357 0.4420 0.056 Uiso 1 1 calc R U .
C152 C 0.21017(19) 0.4444(2) 0.48738(16) 0.0376(11) Uani 1 1 d . . .
H15D H 0.2327 0.4774 0.4931 0.056 Uiso 1 1 calc R U .
H15E H 0.2070 0.4368 0.5162 0.056 Uiso 1 1 calc R U .
H15F H 0.1771 0.4533 0.4606 0.056 Uiso 1 1 calc R U .
C151 C 0.23145(17) 0.39083(19) 0.47521(14) 0.0284(9) Uani 1 1 d . . .
H151 H 0.2051 0.3600 0.4644 0.034 Uiso 1 1 calc R U .
C150 C 0.4200(3) 0.4401(4) 0.5563(3) 0.084(2) Uani 1 1 d . . .
H15G H 0.4111 0.4164 0.5277 0.127 Uiso 1 1 calc R U .
H15H H 0.4544 0.4542 0.5689 0.127 Uiso 1 1 calc R U .
H15I H 0.3971 0.4732 0.5479 0.127 Uiso 1 1 calc R U .
C149 C 0.4282(2) 0.4438(3) 0.6357(2) 0.0511(14) Uani 1 1 d . . .
H14A H 0.4613 0.4613 0.6473 0.077 Uiso 1 1 calc R U .
H14B H 0.4278 0.4198 0.6610 0.077 Uiso 1 1 calc R U .
H14C H 0.4030 0.4746 0.6268 0.077 Uiso 1 1 calc R U .
C148 C 0.41608(18) 0.4059(2) 0.59159(18) 0.0390(11) Uani 1 1 d . . .
H148 H 0.4422 0.3749 0.6018 0.047 Uiso 1 1 calc R U .
C147 C 0.34543(18) 0.20969(19) 0.62863(16) 0.0327(10) Uani 1 1 d . . .
H14D H 0.3372 0.1961 0.5964 0.049 Uiso 1 1 calc R U .
H14E H 0.3400 0.1781 0.6464 0.049 Uiso 1 1 calc R U .
H14F H 0.3806 0.2218 0.6456 0.049 Uiso 1 1 calc R U .
C146 C 0.3257(2) 0.2849(2) 0.67467(15) 0.0403(12) Uani 1 1 d . . .
H14G H 0.3049 0.3189 0.6716 0.060 Uiso 1 1 calc R U .
H14H H 0.3611 0.2962 0.6910 0.060 Uiso 1 1 calc R U .
H14I H 0.3200 0.2548 0.6934 0.060 Uiso 1 1 calc R U .
C145 C 0.31186(18) 0.26123(19) 0.62473(14) 0.0301(9) Uani 1 1 d . . .
H145 H 0.2766 0.2469 0.6100 0.036 Uiso 1 1 calc R U .
C144 C 0.27685(17) 0.36795(18) 0.51987(14) 0.0266(9) Uani 1 1 d . . .
C143 C 0.32363(17) 0.39134(19) 0.53271(15) 0.0294(9) Uani 1 1 d . . .
H143 H 0.3269 0.4187 0.5119 0.035 Uiso 1 1 calc R U .
C142 C 0.36599(17) 0.37605(19) 0.57501(16) 0.0309(9) Uani 1 1 d . . .
C141 C 0.36014(17) 0.33359(19) 0.60335(15) 0.0300(9) Uani 1 1 d . . .
H141 H 0.3888 0.3214 0.6317 0.036 Uiso 1 1 calc R U .
C140 C 0.31439(17) 0.30837(18) 0.59198(14) 0.0279(9) Uani 1 1 d . . .
C139 C 0.27131(16) 0.32714(18) 0.55044(14) 0.0247(8) Uani 1 1 d . . .
C138 C 0.22023(16) 0.31072(16) 0.54227(13) 0.0223(8) Uani 1 1 d . . .
C137 C 0.20514(17) 0.33122(18) 0.57539(15) 0.0284(9) Uani 1 1 d . . .
H137 H 0.2283 0.3520 0.6030 0.034 Uiso 1 1 calc R U .
C136 C 0.15715(19) 0.32154(19) 0.56824(16) 0.0331(10) Uani 1 1 d . . .
H136 H 0.1479 0.3343 0.5914 0.040 Uiso 1 1 calc R U .
C135 C 0.12265(18) 0.2933(2) 0.52745(16) 0.0316(9) Uani 1 1 d . . .
H135 H 0.0894 0.2879 0.5221 0.038 Uiso 1 1 calc R U .
C134 C 0.13647(16) 0.27284(17) 0.49419(14) 0.0249(8) Uani 1 1 d . . .
C133 C 0.18552(15) 0.27991(17) 0.50218(14) 0.0228(8) Uani 1 1 d . . .
C132 C 0.53129(18) 0.1826(3) 0.50332(18) 0.0458(13) Uani 1 1 d . . .
H13A H 0.5405 0.1794 0.4777 0.069 Uiso 1 1 calc R U .
H13B H 0.5557 0.1615 0.5317 0.069 Uiso 1 1 calc R U .
H13C H 0.5310 0.2236 0.5115 0.069 Uiso 1 1 calc R U .
C131 C 0.47968(19) 0.0908(2) 0.48225(17) 0.0410(12) Uani 1 1 d . . .
H13D H 0.4456 0.0759 0.4704 0.062 Uiso 1 1 calc R U .
H13E H 0.5016 0.0740 0.5138 0.062 Uiso 1 1 calc R U .
H13F H 0.4920 0.0801 0.4598 0.062 Uiso 1 1 calc R U .
C130 C 0.47941(17) 0.1567(2) 0.48642(15) 0.0335(10) Uani 1 1 d . . .
H130 H 0.4690 0.1661 0.5112 0.040 Uiso 1 1 calc R U .
C129 C 0.3723(3) 0.3477(3) 0.4481(2) 0.081(3) Uani 1 1 d . . .
H12A H 0.3608 0.3877 0.4469 0.122 Uiso 1 1 calc R U .
H12B H 0.4024 0.3410 0.4788 0.122 Uiso 1 1 calc R U .
H12C H 0.3459 0.3207 0.4449 0.122 Uiso 1 1 calc R U .
C128 C 0.4257(4) 0.3765(4) 0.4129(4) 0.118(3) Uani 1 1 d . U .
H12D H 0.4304 0.3729 0.3845 0.177 Uiso 1 1 calc R U .
H12E H 0.4566 0.3653 0.4415 0.177 Uiso 1 1 calc R U .
H12F H 0.4175 0.4169 0.4162 0.177 Uiso 1 1 calc R U .
C127 C 0.38424(18) 0.3378(2) 0.40773(17) 0.0376(11) Uani 1 1 d . . .
H127 H 0.3539 0.3491 0.3774 0.045 Uiso 1 1 calc R U .
C126 C 0.4334(2) 0.1659(3) 0.29808(17) 0.0453(13) Uani 1 1 d . . .
H12G H 0.4248 0.1487 0.2668 0.068 Uiso 1 1 calc R U .
H12H H 0.4602 0.1432 0.3235 0.068 Uiso 1 1 calc R U .
H12I H 0.4449 0.2060 0.2990 0.068 Uiso 1 1 calc R U .
C125 C 0.3670(2) 0.1045(2) 0.30231(17) 0.0444(13) Uani 1 1 d . . .
H12J H 0.3544 0.0898 0.2696 0.067 Uiso 1 1 calc R U .
H12K H 0.3397 0.1051 0.3105 0.067 Uiso 1 1 calc R U .
H12L H 0.3938 0.0790 0.3247 0.067 Uiso 1 1 calc R U .
C124 C 0.38735(18) 0.1660(2) 0.30568(15) 0.0318(10) Uani 1 1 d . . .
H124 H 0.3608 0.1896 0.2794 0.038 Uiso 1 1 calc R U .
C123 C 0.39900(16) 0.19471(19) 0.35321(14) 0.0267(9) Uani 1 1 d . . .
C122 C 0.42941(16) 0.1643(2) 0.39532(14) 0.0283(9) Uani 1 1 d . . .
H122 H 0.4410 0.1267 0.3931 0.034 Uiso 1 1 calc R U .
C121 C 0.44319(16) 0.1874(2) 0.44024(14) 0.0295(9) Uani 1 1 d . . .
C120 C 0.42612(17) 0.2426(2) 0.44254(15) 0.0333(10) Uani 1 1 d . . .
H120 H 0.4353 0.2587 0.4732 0.040 Uiso 1 1 calc R U .
C119 C 0.39622(17) 0.2753(2) 0.40211(15) 0.0314(9) Uani 1 1 d . . .
C118 C 0.38181(15) 0.25035(19) 0.35629(14) 0.0260(8) Uani 1 1 d . . .
C117 C 0.0464(3) 0.4438(4) 0.1822(4) 0.125(5) Uani 1 1 d . . .
H11A H 0.0546 0.4573 0.1574 0.187 Uiso 1 1 calc R U .
H11B H 0.0181 0.4663 0.1803 0.187 Uiso 1 1 calc R U .
H11C H 0.0373 0.4026 0.1770 0.187 Uiso 1 1 calc R U .
C116 C 0.0843(4) 0.4624(5) 0.2690(4) 0.119(4) Uani 1 1 d . . .
H11D H 0.0523 0.4653 0.2674 0.143 Uiso 1 1 calc R U .
H11E H 0.1137 0.4670 0.2988 0.143 Uiso 1 1 calc R U .
C115 C 0.0879(4) 0.4512(6) 0.2275(4) 0.122(4) Uani 1 1 d . . .
H115 H 0.0969 0.4915 0.2224 0.146 Uiso 1 1 calc R U .
C114 C 0.1735(3) 0.3164(3) 0.13951(19) 0.0551(16) Uani 1 1 d . . .
H11F H 0.1738 0.2840 0.1196 0.083 Uiso 1 1 calc R U .
H11G H 0.2013 0.3428 0.1459 0.083 Uiso 1 1 calc R U .
H11H H 0.1417 0.3374 0.1227 0.083 Uiso 1 1 calc R U .
C113 C 0.1380(2) 0.2483(3) 0.17811(19) 0.0489(14) Uani 1 1 d . . .
H11I H 0.1052 0.2661 0.1584 0.073 Uiso 1 1 calc R U .
H11J H 0.1406 0.2359 0.2088 0.073 Uiso 1 1 calc R U .
H11K H 0.1419 0.2146 0.1613 0.073 Uiso 1 1 calc R U .
C112 C 0.17922(19) 0.2927(2) 0.18723(17) 0.0378(11) Uani 1 1 d . . .
H112 H 0.2121 0.2721 0.2039 0.045 Uiso 1 1 calc R U .
C111 C 0.2841(3) 0.5014(3) 0.2871(2) 0.076(2) Uani 1 1 d . . .
H11L H 0.2844 0.4896 0.2576 0.114 Uiso 1 1 calc R U .
H11M H 0.3162 0.5194 0.3090 0.114 Uiso 1 1 calc R U .
H11N H 0.2570 0.5294 0.2794 0.114 Uiso 1 1 calc R U .
C110 C 0.2805(3) 0.4642(3) 0.3592(2) 0.072(2) Uani 1 1 d . . .
H11O H 0.2541 0.4917 0.3548 0.108 Uiso 1 1 calc R U .
H11P H 0.3133 0.4819 0.3792 0.108 Uiso 1 1 calc R U .
H11Q H 0.2772 0.4289 0.3748 0.108 Uiso 1 1 calc R U .
C109 C 0.2758(2) 0.4487(2) 0.31080(16) 0.0416(12) Uani 1 1 d . . .
H109 H 0.3035 0.4209 0.3170 0.050 Uiso 1 1 calc R U .
C108 C 0.18060(19) 0.3428(2) 0.21909(17) 0.0361(10) Uani 1 1 d . . .
C107 C 0.1362(2) 0.3708(3) 0.2110(2) 0.0558(15) Uani 1 1 d . . .
H107 H 0.1049 0.3552 0.1879 0.067 Uiso 1 1 calc R U .
C106 C 0.1369(3) 0.4211(3) 0.2361(2) 0.0670(19) Uani 1 1 d . . .
C105 C 0.1823(3) 0.4440(3) 0.2683(2) 0.0582(16) Uani 1 1 d . . .
H105 H 0.1830 0.4789 0.2845 0.070 Uiso 1 1 calc R U .
C104 C 0.2271(2) 0.4178(2) 0.27771(16) 0.0383(11) Uani 1 1 d . . .
C103 C 0.22648(18) 0.3661(2) 0.25339(15) 0.0316(10) Uani 1 1 d . . .
C102 C 0.27559(17) 0.34058(18) 0.26284(14) 0.0263(9) Uani 1 1 d . . .
C101 C 0.29936(19) 0.36376(19) 0.23820(16) 0.0320(10) Uani 1 1 d . . .
H101 H 0.2817 0.3903 0.2127 0.038 Uiso 1 1 calc R U .
C100 C 0.34813(19) 0.3489(2) 0.25021(16) 0.0338(10) Uani 1 1 d . . .
H100 H 0.3635 0.3644 0.2326 0.041 Uiso 1 1 calc R U .
C99 C 0.37434(18) 0.3111(2) 0.28813(16) 0.0324(10) Uani 1 1 d . . .
H99 H 0.4082 0.3018 0.2974 0.039 Uiso 1 1 calc R U .
C7 C 0.26034(15) 0.65344(17) 0.49819(13) 0.0218(8) Uani 1 1 d . . .
C6 C 0.22005(16) 0.64026(18) 0.68450(14) 0.0246(8) Uani 1 1 d . . .
C5 C 0.19075(17) 0.60520(19) 0.69686(15) 0.0292(9) Uani 1 1 d . . .
H5 H 0.1620 0.5866 0.6724 0.035 Uiso 1 1 calc R U .
C8 C 0.24808(17) 0.64092(18) 0.45021(14) 0.0261(9) Uani 1 1 d . . .
H8 H 0.2239 0.6643 0.4252 0.031 Uiso 1 1 calc R U .
C9 C 0.27031(18) 0.59550(19) 0.43854(14) 0.0299(9) Uani 1 1 d . . .
H9 H 0.2606 0.5873 0.4059 0.036 Uiso 1 1 calc R U .
C10 C 0.30694(18) 0.56207(19) 0.47477(15) 0.0308(10) Uani 1 1 d . . .
H10 H 0.3226 0.5312 0.4671 0.037 Uiso 1 1 calc R U .
C11 C 0.32044(18) 0.57418(19) 0.52238(15) 0.0291(9) Uani 1 1 d . . .
H11 H 0.3458 0.5517 0.5471 0.035 Uiso 1 1 calc R U .
C12 C 0.29716(15) 0.61902(18) 0.53429(13) 0.0233(8) Uani 1 1 d . . .
C13 C 0.23756(15) 0.16163(17) 0.50541(13) 0.0221(8) Uani 1 1 d . . .
C14 C 0.22773(16) 0.15360(18) 0.54420(14) 0.0264(9) Uani 1 1 d . . .
H14 H 0.2080 0.1815 0.5497 0.032 Uiso 1 1 calc R U .
C15 C 0.24616(17) 0.10611(19) 0.57444(15) 0.0294(9) Uani 1 1 d . . .
H15 H 0.2384 0.1011 0.5999 0.035 Uiso 1 1 calc R U .
C16 C 0.27599(17) 0.06606(19) 0.56739(15) 0.0300(9) Uani 1 1 d . . .
H16 H 0.2887 0.0334 0.5881 0.036 Uiso 1 1 calc R U .
C17 C 0.28736(17) 0.07340(18) 0.53038(15) 0.0279(9) Uani 1 1 d . . .
H17 H 0.3084 0.0461 0.5261 0.033 Uiso 1 1 calc R U .
C18 C 0.26825(15) 0.12051(17) 0.49919(13) 0.0215(8) Uani 1 1 d . . .
C19 C 0.23903(15) 0.17922(18) 0.28257(13) 0.0234(8) Uani 1 1 d . . .
C20 C 0.25318(17) 0.1727(2) 0.24695(15) 0.0306(9) Uani 1 1 d . . .
H20 H 0.2759 0.1999 0.2453 0.037 Uiso 1 1 calc R U .
C21 C 0.23510(18) 0.1280(2) 0.21399(16) 0.0353(10) Uani 1 1 d . . .
H21 H 0.2463 0.1240 0.1908 0.042 Uiso 1 1 calc R U .
C22 C 0.20092(18) 0.0890(2) 0.21464(16) 0.0362(11) Uani 1 1 d . . .
H22 H 0.1886 0.0581 0.1920 0.043 Uiso 1 1 calc R U .
C23 C 0.18463(17) 0.0952(2) 0.24866(15) 0.0304(9) Uani 1 1 d . . .
H23 H 0.1602 0.0693 0.2486 0.037 Uiso 1 1 calc R U .
C24 C 0.20412(16) 0.13943(18) 0.28303(13) 0.0234(8) Uani 1 1 d . . .
C28 C 0.39522(19) 0.8005(2) 0.86417(15) 0.0369(11) Uani 1 1 d . . .
H28 H 0.4092 0.8126 0.8966 0.044 Uiso 1 1 calc R U .
C27 C 0.41683(18) 0.7550(2) 0.85187(14) 0.0313(10) Uani 1 1 d . . .
H27 H 0.4463 0.7372 0.8759 0.038 Uiso 1 1 calc R U .
C26 C 0.39564(16) 0.73501(18) 0.80441(13) 0.0242(8) Uani 1 1 d . . .
C25 C 0.35145(15) 0.76055(17) 0.76926(13) 0.0222(8) Uani 1 1 d . . .
C29 C 0.35362(19) 0.8282(2) 0.82942(15) 0.0345(10) Uani 1 1 d . . .
H29 H 0.3402 0.8608 0.8377 0.041 Uiso 1 1 calc R U .
C30 C 0.33101(17) 0.80855(17) 0.78197(14) 0.0241(8) Uani 1 1 d . . .
C31 C 0.42444(16) 0.68952(19) 0.79355(13) 0.0267(9) Uani 1 1 d . . .
C32 C 0.45422(16) 0.7073(2) 0.77244(14) 0.0314(10) Uani 1 1 d . . .
C33 C 0.48367(18) 0.6660(3) 0.76548(16) 0.0419(12) Uani 1 1 d . . .
H33 H 0.5027 0.6777 0.7503 0.050 Uiso 1 1 calc R U .
C36 C 0.42618(16) 0.63123(19) 0.80749(14) 0.0271(9) Uani 1 1 d . . .
C35 C 0.45731(18) 0.5921(2) 0.80039(15) 0.0353(10) Uani 1 1 d . . .
H35 H 0.4585 0.5528 0.8101 0.042 Uiso 1 1 calc R U .
C34 C 0.48648(19) 0.6087(3) 0.77965(16) 0.0419(12) Uani 1 1 d . . .
C37 C 0.39659(17) 0.60976(19) 0.83194(14) 0.0283(9) Uani 1 1 d . . .
H37 H 0.3760 0.6429 0.8333 0.034 Uiso 1 1 calc R U .
C38 C 0.36102(18) 0.5607(2) 0.80371(16) 0.0336(10) Uani 1 1 d . . .
H38A H 0.3399 0.5731 0.7705 0.050 Uiso 1 1 calc R U .
H38B H 0.3398 0.5509 0.8183 0.050 Uiso 1 1 calc R U .
H38C H 0.3804 0.5264 0.8042 0.050 Uiso 1 1 calc R U .
C252 C 0.0364(14) 0.5257(17) 1.0223(17) 0.23(2) Uani 0.5 1 d D U P
H25X H 0.0653 0.5468 1.0438 0.270 Uiso 1 1 calc R U .
C251 C 0.0116(10) 0.5011(12) 1.0463(9) 0.176(14) Uani 0.5 1 d D U P
H25Y H 0.0242 0.5045 1.0800 0.211 Uiso 1 1 calc R U .
C250 C -0.0308(9) 0.4729(9) 1.0183(12) 0.136(10) Uani 0.5 1 d D U P
H25Z H -0.0525 0.4550 1.0282 0.163 Uiso 1 1 calc R U .
C227 C 0.4470(8) 0.4981(10) 0.3591(8) 0.281(11) Uani 1 1 d D U .
H22A H 0.4239 0.4784 0.3292 0.421 Uiso 1 1 calc R U .
H22B H 0.4718 0.4702 0.3808 0.421 Uiso 1 1 calc R U .
H22C H 0.4640 0.5296 0.3519 0.421 Uiso 1 1 calc R U .
C226 C 0.4172(7) 0.5234(10) 0.3832(6) 0.249(9) Uani 1 1 d D U .
H22D H 0.3928 0.4935 0.3812 0.299 Uiso 1 1 calc R U .
H22E H 0.3977 0.5569 0.3637 0.299 Uiso 1 1 calc R U .
C225 C 0.4467(6) 0.5444(7) 0.4375(6) 0.202(6) Uani 1 1 d D U .
H22F H 0.4674 0.5122 0.4581 0.243 Uiso 1 1 calc R U .
H22G H 0.4692 0.5770 0.4404 0.243 Uiso 1 1 calc R U .
C224 C 0.4117(6) 0.5625(7) 0.4528(6) 0.171(6) Uani 1 1 d D U .
H22Y H 0.3869 0.5888 0.4284 0.205 Uiso 1 1 calc R U .
H22Z H 0.3937 0.5281 0.4555 0.205 Uiso 1 1 calc DR U .
C223 C 0.4357(5) 0.5915(6) 0.4975(6) 0.163(6) Uani 1 1 d . U .
H22S H 0.4545 0.6248 0.4952 0.245 Uiso 1 1 calc R U .
H22T H 0.4586 0.5646 0.5221 0.245 Uiso 1 1 calc R U .
H22U H 0.4104 0.6051 0.5061 0.245 Uiso 1 1 calc DR U .
C40 C 0.45760(17) 0.7703(2) 0.76071(16) 0.0371(11) Uani 1 1 d . . .
H40 H 0.4346 0.7935 0.7686 0.045 Uiso 1 1 calc R U .
C39 C 0.43185(19) 0.5904(2) 0.88362(16) 0.0382(11) Uani 1 1 d . . .
H39A H 0.4503 0.5557 0.8831 0.057 Uiso 1 1 calc R U .
H39B H 0.4122 0.5814 0.8999 0.057 Uiso 1 1 calc R U .
H39C H 0.4555 0.6217 0.9007 0.057 Uiso 1 1 calc R U .
C46 C 0.28726(18) 0.84132(18) 0.74446(14) 0.0287(9) Uani 1 1 d . . .
C45 C 0.5706(2) 0.5622(3) 0.8208(2) 0.0621(18) Uani 1 1 d . . .
H45A H 0.5936 0.5358 0.8166 0.093 Uiso 1 1 calc R U .
H45B H 0.5639 0.5473 0.8461 0.093 Uiso 1 1 calc R U .
H45C H 0.5859 0.6008 0.8298 0.093 Uiso 1 1 calc R U .
C44 C 0.5001(2) 0.5067(4) 0.7575(3) 0.106(4) Uani 1 1 d . . .
H44A H 0.4682 0.5104 0.7280 0.159 Uiso 1 1 calc R U .
H44B H 0.4944 0.4880 0.7823 0.159 Uiso 1 1 calc R U .
H44C H 0.5232 0.4831 0.7513 0.159 Uiso 1 1 calc R U .
C43 C 0.5223(2) 0.5662(3) 0.7745(2) 0.0582(17) Uani 1 1 d . . .
H43 H 0.5304 0.5825 0.7498 0.070 Uiso 1 1 calc R U .
C42 C 0.5111(2) 0.7934(3) 0.7914(2) 0.070(2) Uani 1 1 d . . .
H42A H 0.5342 0.7716 0.7839 0.105 Uiso 1 1 calc R U .
H42B H 0.5208 0.7886 0.8254 0.105 Uiso 1 1 calc R U .
H42C H 0.5123 0.8347 0.7845 0.105 Uiso 1 1 calc R U .
C41 C 0.4417(2) 0.7791(3) 0.70778(17) 0.0478(14) Uani 1 1 d . . .
H41A H 0.4072 0.7655 0.6884 0.072 Uiso 1 1 calc R U .
H41B H 0.4639 0.7569 0.6993 0.072 Uiso 1 1 calc R U .
H41C H 0.4437 0.8204 0.7015 0.072 Uiso 1 1 calc R U .
C51 C 0.24031(18) 0.84073(19) 0.74344(15) 0.0299(9) Uani 1 1 d . . .
C50 C 0.20223(19) 0.8761(2) 0.71131(16) 0.0361(10) Uani 1 1 d . . .
H50 H 0.1706 0.8752 0.7106 0.043 Uiso 1 1 calc R U .
C49 C 0.2090(2) 0.9129(2) 0.67993(17) 0.0405(12) Uani 1 1 d . . .
C48 C 0.2547(2) 0.9121(2) 0.68037(16) 0.0390(11) Uani 1 1 d . . .
H48 H 0.2592 0.9360 0.6583 0.047 Uiso 1 1 calc R U .
C47 C 0.29419(19) 0.87773(19) 0.71174(16) 0.0332(10) Uani 1 1 d . . .
C53 C 0.18325(19) 0.7655(2) 0.75091(18) 0.0414(11) Uani 1 1 d . . .
H53A H 0.1538 0.7908 0.7356 0.062 Uiso 1 1 calc R U .
H53B H 0.1798 0.7396 0.7737 0.062 Uiso 1 1 calc R U .
H53C H 0.1860 0.7422 0.7264 0.062 Uiso 1 1 calc R U .
C52 C 0.23024(19) 0.8025(2) 0.77739(16) 0.0359(10) Uani 1 1 d . . .
H52 H 0.2593 0.7756 0.7940 0.043 Uiso 1 1 calc R U .
C54 C 0.2267(3) 0.8398(3) 0.8162(2) 0.0523(15) Uani 1 1 d . . .
H54A H 0.1976 0.8657 0.8010 0.078 Uiso 1 1 calc R U .
H54B H 0.2572 0.8629 0.8332 0.078 Uiso 1 1 calc R U .
H54C H 0.2228 0.8143 0.8390 0.078 Uiso 1 1 calc R U .
C55 C 0.3449(2) 0.8834(2) 0.71345(18) 0.0403(12) Uani 1 1 d . . .
H55 H 0.3620 0.8449 0.7237 0.048 Uiso 1 1 calc R U .
C56 C 0.3776(3) 0.9280(3) 0.7514(2) 0.0594(16) Uani 1 1 d . . .
H56A H 0.4106 0.9296 0.7532 0.089 Uiso 1 1 calc R U .
H56B H 0.3812 0.9165 0.7827 0.089 Uiso 1 1 calc R U .
H56C H 0.3618 0.9663 0.7427 0.089 Uiso 1 1 calc R U .
C57 C 0.3420(2) 0.8981(3) 0.6651(2) 0.0510(14) Uani 1 1 d . . .
H57A H 0.3213 0.8691 0.6412 0.077 Uiso 1 1 calc R U .
H57B H 0.3758 0.8979 0.6684 0.077 Uiso 1 1 calc R U .
H57C H 0.3271 0.9367 0.6547 0.077 Uiso 1 1 calc R U .
C58 C 0.1676(3) 0.9537(3) 0.6463(3) 0.0655(18) Uani 1 1 d . . .
H58 H 0.1576 0.9353 0.6145 0.079 Uiso 1 1 calc R U .
C59 C 0.1242(4) 0.9530(5) 0.6478(5) 0.139(4) Uani 1 1 d . U .
H59A H 0.1067 0.9883 0.6449 0.166 Uiso 1 1 calc R U .
H59B H 0.1110 0.9173 0.6518 0.166 Uiso 1 1 calc R U .
C60 C 0.1855(3) 1.0116(3) 0.6400(3) 0.072(2) Uani 1 1 d . . .
H60A H 0.2058 1.0068 0.6238 0.107 Uiso 1 1 calc R U .
H60B H 0.2058 1.0295 0.6715 0.107 Uiso 1 1 calc R U .
H60C H 0.1567 1.0365 0.6207 0.107 Uiso 1 1 calc R U .
C61 C 0.18102(15) 0.75632(17) 0.44481(13) 0.0216(8) Uani 1 1 d . . .
C62 C 0.13383(15) 0.73821(17) 0.40884(13) 0.0238(8) Uani 1 1 d . . .
C63 C 0.11593(17) 0.75905(19) 0.36190(14) 0.0292(9) Uani 1 1 d . . .
H63 H 0.0845 0.7459 0.3373 0.035 Uiso 1 1 calc R U .
C64 C 0.14353(18) 0.7985(2) 0.35117(14) 0.0323(10) Uani 1 1 d . . .
H64 H 0.1313 0.8116 0.3191 0.039 Uiso 1 1 calc R U .
C65 C 0.18888(17) 0.81885(18) 0.38695(14) 0.0287(9) Uani 1 1 d . . .
H65 H 0.2072 0.8469 0.3796 0.034 Uiso 1 1 calc R U .
C66 C 0.20776(16) 0.79822(17) 0.43388(13) 0.0226(8) Uani 1 1 d . . .
C69 C 0.34410(17) 0.84312(19) 0.50529(14) 0.0285(9) Uani 1 1 d . . .
H69 H 0.3754 0.8345 0.5069 0.034 Uiso 1 1 calc R U .
C68 C 0.30209(16) 0.81185(18) 0.47384(13) 0.0245(8) Uani 1 1 d . . .
C67 C 0.25546(16) 0.82446(17) 0.47163(14) 0.0234(8) Uani 1 1 d . . .
C70 C 0.34163(17) 0.88706(18) 0.53471(15) 0.0284(9) Uani 1 1 d . . .
C78 C 0.1845(2) 0.9406(3) 0.4737(2) 0.0496(14) Uani 1 1 d . . .
H78A H 0.1820 0.9365 0.4419 0.074 Uiso 1 1 calc R U .
H78B H 0.2074 0.9725 0.4910 0.074 Uiso 1 1 calc R U .
H78C H 0.1513 0.9491 0.4703 0.074 Uiso 1 1 calc R U .
C77 C 0.2086(2) 0.8905(3) 0.55171(19) 0.0468(13) Uani 1 1 d . . .
H77A H 0.1756 0.8997 0.5486 0.070 Uiso 1 1 calc R U .
H77B H 0.2320 0.9220 0.5690 0.070 Uiso 1 1 calc R U .
H77C H 0.2208 0.8541 0.5695 0.070 Uiso 1 1 calc R U .
C76 C 0.20424(18) 0.88410(19) 0.50178(16) 0.0315(10) Uani 1 1 d . . .
H76 H 0.1792 0.8528 0.4844 0.038 Uiso 1 1 calc R U .
C75 C 0.3149(2) 0.7986(2) 0.40160(15) 0.0355(10) Uani 1 1 d . . .
H75A H 0.3165 0.7696 0.3797 0.053 Uiso 1 1 calc R U .
H75B H 0.3464 0.8203 0.4169 0.053 Uiso 1 1 calc R U .
H75C H 0.2872 0.8254 0.3836 0.053 Uiso 1 1 calc R U .
C74 C 0.34870(17) 0.72370(19) 0.46685(15) 0.0290(9) Uani 1 1 d . . .
H74A H 0.3483 0.6944 0.4442 0.043 Uiso 1 1 calc R U .
H74B H 0.3436 0.7047 0.4918 0.043 Uiso 1 1 calc R U .
H74C H 0.3811 0.7437 0.4816 0.043 Uiso 1 1 calc R U .
C73 C 0.30657(17) 0.76804(18) 0.44004(14) 0.0262(9) Uani 1 1 d . . .
H73 H 0.2743 0.7462 0.4235 0.031 Uiso 1 1 calc R U .
C72 C 0.25314(17) 0.86706(18) 0.50324(14) 0.0270(9) Uani 1 1 d . . .
C71 C 0.29654(18) 0.89705(19) 0.53334(14) 0.0294(9) Uani 1 1 d . . .
H71 H 0.2949 0.9259 0.5540 0.035 Uiso 1 1 calc R U .
C79 C 0.38705(18) 0.9247(2) 0.56555(17) 0.0348(10) Uani 1 1 d . . .
H79 H 0.3764 0.9537 0.5824 0.042 Uiso 1 1 calc R U .
C80 C 0.43080(19) 0.8908(2) 0.60384(17) 0.0407(11) Uani 1 1 d . . .
H80A H 0.4469 0.8681 0.5888 0.061 Uiso 1 1 calc R U .
H80B H 0.4186 0.8646 0.6203 0.061 Uiso 1 1 calc R U .
H80C H 0.4552 0.9179 0.6271 0.061 Uiso 1 1 calc R U .
C81 C 0.40425(19) 0.9586(2) 0.53464(19) 0.0422(12) Uani 1 1 d . . .
H81A H 0.4165 0.9315 0.5188 0.063 Uiso 1 1 calc R U .
H81B H 0.4312 0.9853 0.5549 0.063 Uiso 1 1 calc R U .
H81C H 0.3761 0.9809 0.5104 0.063 Uiso 1 1 calc R U .
C82 C 0.09910(16) 0.6998(2) 0.41819(14) 0.0290(9) Uani 1 1 d . . .
C83 C 0.09132(17) 0.6414(2) 0.40320(15) 0.0322(10) Uani 1 1 d . . .
C84 C 0.05552(18) 0.6092(2) 0.40886(16) 0.0380(11) Uani 1 1 d . . .
H84 H 0.0500 0.5699 0.3985 0.046 Uiso 1 1 calc R U .
C85 C 0.02784(18) 0.6325(3) 0.42893(17) 0.0419(12) Uani 1 1 d . . .
C86 C 0.03545(19) 0.6900(3) 0.44269(17) 0.0432(12) Uani 1 1 d . . .
H86 H 0.0165 0.7065 0.4565 0.052 Uiso 1 1 calc R U .
C87 C 0.07001(17) 0.7251(2) 0.43709(16) 0.0360(10) Uani 1 1 d . . .
C88 C 0.11831(19) 0.6131(2) 0.37886(16) 0.0351(10) Uani 1 1 d . . .
H88 H 0.1454 0.6401 0.3818 0.042 Uiso 1 1 calc R U .
C89 C 0.1427(2) 0.5554(2) 0.40251(19) 0.0436(12) Uani 1 1 d . . .
H89A H 0.1166 0.5270 0.3976 0.065 Uiso 1 1 calc R U .
H89B H 0.1642 0.5614 0.4369 0.065 Uiso 1 1 calc R U .
H89C H 0.1629 0.5408 0.3881 0.065 Uiso 1 1 calc R U .
C90 C 0.0828(2) 0.6037(2) 0.32545(18) 0.0460(13) Uani 1 1 d . . .
H90A H 0.0682 0.6410 0.3103 0.069 Uiso 1 1 calc R U .
H90B H 0.0560 0.5770 0.3216 0.069 Uiso 1 1 calc R U .
H90C H 0.1013 0.5870 0.3102 0.069 Uiso 1 1 calc R U .
C91 C 0.0726(2) 0.7897(3) 0.44782(19) 0.0447(12) Uani 1 1 d . . .
H91 H 0.0989 0.8072 0.4413 0.054 Uiso 1 1 calc R U .
C92 C 0.0865(3) 0.8022(3) 0.4995(2) 0.0695(19) Uani 1 1 d . . .
H92A H 0.0882 0.8442 0.5047 0.104 Uiso 1 1 calc R U .
H92B H 0.1191 0.7847 0.5206 0.104 Uiso 1 1 calc R U .
H92C H 0.0611 0.7855 0.5067 0.104 Uiso 1 1 calc R U .
C93 C 0.0226(3) 0.8195(4) 0.4148(3) 0.100(3) Uani 1 1 d . . .
H93A H 0.0155 0.8154 0.3814 0.151 Uiso 1 1 calc R U .
H93B H 0.0247 0.8608 0.4230 0.151 Uiso 1 1 calc R U .
H93C H -0.0042 0.8012 0.4189 0.151 Uiso 1 1 calc R U .
C94 C -0.0123(2) 0.5963(3) 0.4330(2) 0.0551(16) Uani 1 1 d . . .
H94 H -0.0077 0.5558 0.4243 0.066 Uiso 1 1 calc R U .
C95 C -0.0052(2) 0.5924(4) 0.4821(2) 0.082(3) Uani 1 1 d . . .
H95A H -0.0315 0.5678 0.4823 0.123 Uiso 1 1 calc R U .
H95B H -0.0070 0.6313 0.4936 0.123 Uiso 1 1 calc R U .
H95C H 0.0276 0.5753 0.5031 0.123 Uiso 1 1 calc R U .
C96 C -0.0636(2) 0.6140(3) 0.3955(2) 0.0567(16) Uani 1 1 d . . .
H96A H -0.0661 0.6105 0.3637 0.085 Uiso 1 1 calc R U .
H96B H -0.0698 0.6544 0.4010 0.085 Uiso 1 1 calc R U .
H96C H -0.0886 0.5888 0.3975 0.085 Uiso 1 1 calc R U .
C97 C 0.30089(16) 0.29972(18) 0.29952(14) 0.0250(8) Uani 1 1 d . . .
C98 C 0.35089(16) 0.28663(18) 0.31274(15) 0.0260(9) Uani 1 1 d . . .
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'
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'
Sn Sn -0.6537 1.4246 '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'
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
P2 Pd1 P1 118.04(4) .
P2 Pd1 Sn1 110.41(3) .
P1 Pd1 Sn1 86.46(3) .
P2 Pd1 Sn2 87.45(3) .
P1 Pd1 Sn2 109.23(3) .
Sn1 Pd1 Sn2 147.709(15) .
C6 C1 C2 116.9(4) .
C6 C1 Sn1 118.2(3) .
C2 C1 Sn1 124.8(3) .
C1 Sn1 C25 92.50(14) .
C1 Sn1 Pd1 98.17(10) .
C25 Sn1 Pd1 166.44(11) .
C181 P1 C187 103.3(2) .
C181 P1 C6 103.84(18) .
C187 P1 C6 96.94(18) .
C181 P1 Pd1 116.47(14) .
C187 P1 Pd1 119.74(17) .
C6 P1 Pd1 113.76(14) .
P4 Pd2 P3 111.84(4) .
P4 Pd2 Sn3 118.04(3) .
P3 Pd2 Sn3 84.39(3) .
P4 Pd2 Sn4 84.88(3) .
P3 Pd2 Sn4 120.91(3) .
Sn3 Pd2 Sn4 138.302(14) .
C3 C2 C1 122.1(4) .
C3 C2 H2 119.0 .
C1 C2 H2 119.0 .
C7 Sn2 C61 93.35(14) .
C7 Sn2 Pd1 97.57(10) .
C61 Sn2 Pd1 167.01(10) .
C169 P2 C12 104.16(18) .
C169 P2 C175 104.35(19) .
C12 P2 C175 96.01(18) .
C169 P2 Pd1 112.85(13) .
C12 P2 Pd1 113.08(14) .
C175 P2 Pd1 123.71(13) .
C13 Sn3 C133 90.26(14) .
C13 Sn3 Pd2 99.45(10) .
C133 Sn3 Pd2 169.50(11) .
C2 C3 C4 119.8(4) .
C2 C3 H3 120.1 .
C4 C3 H3 120.1 .
C205 P3 C211 102.58(19) .
C205 P3 C18 105.07(18) .
C211 P3 C18 94.97(17) .
C205 P3 Pd2 114.81(13) .
C211 P3 Pd2 121.76(14) .
C18 P3 Pd2 114.77(13) .
C19 Sn4 C97 93.56(15) .
C19 Sn4 Pd2 96.81(10) .
C97 Sn4 Pd2 169.33(10) .
C5 C4 C3 119.4(4) .
C5 C4 H4 120.3 .
C3 C4 H4 120.3 .
C193 P4 C199 100.9(2) .
C193 P4 C24 105.7(2) .
C199 P4 C24 98.17(18) .
C193 P4 Pd2 117.91(14) .
C199 P4 Pd2 118.71(15) .
C24 P4 Pd2 112.85(14) .
C217 C222 C221 124.7(11) .
C217 C222 H222 117.6 .
C221 C222 H222 117.6 .
C220 C221 C222 105.0(12) .
C220 C221 H221 127.5 .
C222 C221 H221 127.5 .
C221 C220 C219 124.9(13) .
C221 C220 H220 117.6 .
C219 C220 H220 117.6 .
C220 C219 C218 128.7(14) .
C220 C219 H219 115.6 .
C218 C219 H219 115.6 .
C217 C218 C219 111.4(13) .
C217 C218 H218 124.3 .
C219 C218 H218 124.3 .
C218 C217 C222 123.6(13) .
C218 C217 H217 118.2 .
C222 C217 H217 118.2 .
C215 C216 C211 120.7(5) .
C215 C216 H216 119.6 .
C211 C216 H216 119.6 .
C214 C215 C216 120.0(5) .
C214 C215 H215 120.0 .
C216 C215 H215 120.0 .
C213 C214 C215 119.7(5) .
C213 C214 H214 120.1 .
C215 C214 H214 120.1 .
C214 C213 C212 120.6(5) .
C214 C213 H213 119.7 .
C212 C213 H213 119.7 .
C211 C212 C213 120.9(5) .
C211 C212 H212 119.6 .
C213 C212 H212 119.6 .
C212 C211 C216 118.1(4) .
C212 C211 P3 119.8(3) .
C216 C211 P3 121.1(3) .
C209 C210 C205 120.7(4) .
C209 C210 H210 119.7 .
C205 C210 H210 119.7 .
C208 C209 C210 120.1(4) .
C208 C209 H209 119.9 .
C210 C209 H209 119.9 .
C207 C208 C209 119.8(4) .
C207 C208 H208 120.1 .
C209 C208 H208 120.1 .
C208 C207 C206 120.4(4) .
C208 C207 H207 119.8 .
C206 C207 H207 119.8 .
C207 C206 C205 120.7(4) .
C207 C206 H206 119.7 .
C205 C206 H206 119.7 .
C206 C205 C210 118.3(4) .
C206 C205 P3 124.1(3) .
C210 C205 P3 117.5(3) .
C203 C204 C199 120.2(5) .
C203 C204 H204 119.9 .
C199 C204 H204 119.9 .
C202 C203 C204 120.9(5) .
C202 C203 H203 119.6 .
C204 C203 H203 119.6 .
C203 C202 C201 120.0(5) .
C203 C202 H202 120.0 .
C201 C202 H202 120.0 .
C202 C201 C200 119.6(6) .
C202 C201 H201 120.2 .
C200 C201 H201 120.2 .
C199 C200 C201 120.9(5) .
C199 C200 H200 119.5 .
C201 C200 H200 119.5 .
C200 C199 C204 118.3(4) .
C200 C199 P4 119.4(3) .
C204 C199 P4 122.0(4) .
C197 C198 C193 120.7(5) .
C197 C198 H198 119.7 .
C193 C198 H198 119.7 .
C196 C197 C198 119.7(6) .
C196 C197 H197 120.1 .
C198 C197 H197 120.1 .
C195 C196 C197 120.4(5) .
C195 C196 H196 119.8 .
C197 C196 H196 119.8 .
C196 C195 C194 120.2(6) .
C196 C195 H195 119.9 .
C194 C195 H195 119.9 .
C195 C194 C193 120.3(6) .
C195 C194 H194 119.9 .
C193 C194 H194 119.9 .
C198 C193 C194 118.6(5) .
C198 C193 P4 123.5(4) .
C194 C193 P4 117.8(4) .
C187 C192 C191 119.8(6) .
C187 C192 H192 120.1 .
C191 C192 H192 120.1 .
C190 C191 C192 120.7(7) .
C190 C191 H191 119.6 .
C192 C191 H191 119.6 .
C189 C190 C191 119.7(6) .
C189 C190 H190 120.1 .
C191 C190 H190 120.1 .
C190 C189 C188 120.4(7) .
C190 C189 H189 119.8 .
C188 C189 H189 119.8 .
C189 C188 C187 121.3(6) .
C189 C188 H188 119.4 .
C187 C188 H188 119.4 .
C188 C187 C192 118.0(5) .
C188 C187 P1 117.1(4) .
C192 C187 P1 124.5(4) .
C185 C186 C181 120.2(4) .
C185 C186 H186 119.9 .
C181 C186 H186 119.9 .
C184 C185 C186 120.9(4) .
C184 C185 H185 119.6 .
C186 C185 H185 119.6 .
C185 C184 C183 119.3(4) .
C185 C184 H184 120.4 .
C183 C184 H184 120.4 .
C184 C183 C182 120.0(4) .
C184 C183 H183 120.0 .
C182 C183 H183 120.0 .
C181 C182 C183 121.5(4) .
C181 C182 H182 119.2 .
C183 C182 H182 119.2 .
C182 C181 C186 118.0(4) .
C182 C181 P1 122.9(3) .
C186 C181 P1 119.1(3) .
C175 C180 C179 120.7(4) .
C175 C180 H180 119.6 .
C179 C180 H180 119.6 .
C178 C179 C180 120.1(5) .
C178 C179 H179 119.9 .
C180 C179 H179 119.9 .
C179 C178 C177 119.5(4) .
C179 C178 H178 120.2 .
C177 C178 H178 120.2 .
C178 C177 C176 120.2(5) .
C178 C177 H177 119.9 .
C176 C177 H177 119.9 .
C177 C176 C175 120.8(4) .
C177 C176 H176 119.6 .
C175 C176 H176 119.6 .
C180 C175 C176 118.5(4) .
C180 C175 P2 124.7(3) .
C176 C175 P2 116.4(3) .
C173 C174 C169 120.5(4) .
C173 C174 H174 119.8 .
C169 C174 H174 119.8 .
C174 C173 C172 120.7(4) .
C174 C173 H173 119.6 .
C172 C173 H173 119.6 .
C171 C172 C173 119.2(4) .
C171 C172 H172 120.4 .
C173 C172 H172 120.4 .
C170 C171 C172 120.4(4) .
C170 C171 H171 119.8 .
C172 C171 H171 119.8 .
C171 C170 C169 121.1(4) .
C171 C170 H170 119.5 .
C169 C170 H170 119.5 .
C170 C169 C174 118.0(4) .
C170 C169 P2 121.6(3) .
C174 C169 P2 120.1(3) .
C166 C168 H16A 109.5 .
C166 C168 H16B 109.5 .
H16A C168 H16B 109.5 .
C166 C168 H16C 109.5 .
H16A C168 H16C 109.5 .
H16B C168 H16C 109.5 .
C166 C167 H16D 109.5 .
C166 C167 H16E 109.5 .
H16D C167 H16E 109.5 .
C166 C167 H16F 109.5 .
H16D C167 H16F 109.5 .
H16E C167 H16F 109.5 .
C168 C166 C155 114.8(4) .
C168 C166 C167 110.0(5) .
C155 C166 C167 110.4(4) .
C168 C166 H166 107.1 .
C155 C166 H166 107.1 .
C167 C166 H166 107.1 .
C163 C165 H16G 109.5 .
C163 C165 H16H 109.5 .
H16G C165 H16H 109.5 .
C163 C165 H16I 109.5 .
H16G C165 H16I 109.5 .
H16H C165 H16I 109.5 .
C163 C164 H16J 109.5 .
C163 C164 H16K 109.5 .
H16J C164 H16K 109.5 .
C163 C164 H16L 109.5 .
H16J C164 H16L 109.5 .
H16K C164 H16L 109.5 .
C165 C163 C164 109.2(7) .
C165 C163 C157 113.4(5) .
C164 C163 C157 110.9(5) .
C165 C163 H163 107.7 .
C164 C163 H163 107.7 .
C157 C163 H163 107.7 .
C160 C162 H16M 109.5 .
C160 C162 H16N 109.5 .
H16M C162 H16N 109.5 .
C160 C162 H16O 109.5 .
H16M C162 H16O 109.5 .
H16N C162 H16O 109.5 .
C160 C161 H16P 109.5 .
C160 C161 H16Q 109.5 .
H16P C161 H16Q 109.5 .
C160 C161 H16R 109.5 .
H16P C161 H16R 109.5 .
H16Q C161 H16R 109.5 .
C159 C160 C161 110.5(4) .
C159 C160 C162 112.6(4) .
C161 C160 C162 111.1(4) .
C159 C160 H160 107.5 .
C161 C160 H160 107.5 .
C162 C160 H160 107.5 .
C158 C159 C154 118.9(4) .
C158 C159 C160 118.9(4) .
C154 C159 C160 122.2(4) .
C157 C158 C159 122.1(5) .
C157 C158 H158 118.9 .
C159 C158 H158 118.9 .
C158 C157 C156 118.0(4) .
C158 C157 C163 122.2(5) .
C156 C157 C163 119.9(4) .
C155 C156 C157 122.5(5) .
C155 C156 H156 118.8 .
C157 C156 H156 118.8 .
C156 C155 C154 118.5(4) .
C156 C155 C166 120.5(4) .
C154 C155 C166 120.9(4) .
C159 C154 C155 120.0(4) .
C159 C154 C134 122.5(4) .
C155 C154 C134 117.4(4) .
C151 C153 H15A 109.5 .
C151 C153 H15B 109.5 .
H15A C153 H15B 109.5 .
C151 C153 H15C 109.5 .
H15A C153 H15C 109.5 .
H15B C153 H15C 109.5 .
C151 C152 H15D 109.5 .
C151 C152 H15E 109.5 .
H15D C152 H15E 109.5 .
C151 C152 H15F 109.5 .
H15D C152 H15F 109.5 .
H15E C152 H15F 109.5 .
C153 C151 C152 110.5(4) .
C153 C151 C144 114.0(4) .
C152 C151 C144 110.4(3) .
C153 C151 H151 107.2 .
C152 C151 H151 107.2 .
C144 C151 H151 107.2 .
C148 C150 H15G 109.5 .
C148 C150 H15H 109.5 .
H15G C150 H15H 109.5 .
C148 C150 H15I 109.5 .
H15G C150 H15I 109.5 .
H15H C150 H15I 109.5 .
C148 C149 H14A 109.5 .
C148 C149 H14B 109.5 .
H14A C149 H14B 109.5 .
C148 C149 H14C 109.5 .
H14A C149 H14C 109.5 .
H14B C149 H14C 109.5 .
C150 C148 C142 115.0(5) .
C150 C148 C149 109.2(5) .
C142 C148 C149 109.8(4) .
C150 C148 H148 107.5 .
C142 C148 H148 107.5 .
C149 C148 H148 107.5 .
C145 C147 H14D 109.5 .
C145 C147 H14E 109.5 .
H14D C147 H14E 109.5 .
C145 C147 H14F 109.5 .
H14D C147 H14F 109.5 .
H14E C147 H14F 109.5 .
C145 C146 H14G 109.5 .
C145 C146 H14H 109.5 .
H14G C146 H14H 109.5 .
C145 C146 H14I 109.5 .
H14G C146 H14I 109.5 .
H14H C146 H14I 109.5 .
C140 C145 C147 111.0(4) .
C140 C145 C146 111.8(4) .
C147 C145 C146 110.3(4) .
C140 C145 H145 107.9 .
C147 C145 H145 107.9 .
C146 C145 H145 107.9 .
C143 C144 C139 119.7(4) .
C143 C144 C151 119.1(4) .
C139 C144 C151 121.0(4) .
C144 C143 C142 122.2(4) .
C144 C143 H143 118.9 .
C142 C143 H143 118.9 .
C143 C142 C141 117.1(4) .
C143 C142 C148 122.3(4) .
C141 C142 C148 120.5(4) .
C140 C141 C142 123.0(4) .
C140 C141 H141 118.5 .
C142 C141 H141 118.5 .
C141 C140 C139 118.9(4) .
C141 C140 C145 119.2(4) .
C139 C140 C145 121.8(4) .
C140 C139 C144 118.9(4) .
C140 C139 C138 120.6(4) .
C144 C139 C138 120.0(4) .
C133 C138 C137 118.3(4) .
C133 C138 C139 123.9(3) .
C137 C138 C139 117.6(4) .
C136 C137 C138 120.9(4) .
C136 C137 H137 119.5 .
C138 C137 H137 119.5 .
C135 C136 C137 120.1(4) .
C135 C136 H136 120.0 .
C137 C136 H136 120.0 .
C136 C135 C134 120.2(4) .
C136 C135 H135 119.9 .
C134 C135 H135 119.9 .
C135 C134 C133 120.2(4) .
C135 C134 C154 121.0(4) .
C133 C134 C154 118.6(4) .
C134 C133 C138 120.1(4) .
C134 C133 Sn3 119.6(3) .
C138 C133 Sn3 120.0(3) .
C130 C132 H13A 109.5 .
C130 C132 H13B 109.5 .
H13A C132 H13B 109.5 .
C130 C132 H13C 109.5 .
H13A C132 H13C 109.5 .
H13B C132 H13C 109.5 .
C130 C131 H13D 109.5 .
C130 C131 H13E 109.5 .
H13D C131 H13E 109.5 .
C130 C131 H13F 109.5 .
H13D C131 H13F 109.5 .
H13E C131 H13F 109.5 .
C131 C130 C132 111.9(4) .
C131 C130 C121 114.2(4) .
C132 C130 C121 108.0(4) .
C131 C130 H130 107.5 .
C132 C130 H130 107.5 .
C121 C130 H130 107.5 .
C127 C129 H12A 109.5 .
C127 C129 H12B 109.5 .
H12A C129 H12B 109.5 .
C127 C129 H12C 109.5 .
H12A C129 H12C 109.5 .
H12B C129 H12C 109.5 .
C127 C128 H12D 109.5 .
C127 C128 H12E 109.5 .
H12D C128 H12E 109.5 .
C127 C128 H12F 109.5 .
H12D C128 H12F 109.5 .
H12E C128 H12F 109.5 .
C128 C127 C129 110.5(6) .
C128 C127 C119 110.1(5) .
C129 C127 C119 114.3(5) .
C128 C127 H127 107.2 .
C129 C127 H127 107.2 .
C119 C127 H127 107.2 .
C124 C126 H12G 109.5 .
C124 C126 H12H 109.5 .
H12G C126 H12H 109.5 .
C124 C126 H12I 109.5 .
H12G C126 H12I 109.5 .
H12H C126 H12I 109.5 .
C124 C125 H12J 109.5 .
C124 C125 H12K 109.5 .
H12J C125 H12K 109.5 .
C124 C125 H12L 109.5 .
H12J C125 H12L 109.5 .
H12K C125 H12L 109.5 .
C123 C124 C125 111.5(4) .
C123 C124 C126 110.9(4) .
C125 C124 C126 111.0(4) .
C123 C124 H124 107.8 .
C125 C124 H124 107.8 .
C126 C124 H124 107.8 .
C122 C123 C118 119.3(4) .
C122 C123 C124 117.7(4) .
C118 C123 C124 123.0(4) .
C121 C122 C123 122.0(4) .
C121 C122 H122 119.0 .
C123 C122 H122 119.0 .
C122 C121 C120 117.9(4) .
C122 C121 C130 122.5(4) .
C120 C121 C130 119.4(4) .
C121 C120 C119 123.0(4) .
C121 C120 H120 118.5 .
C119 C120 H120 118.5 .
C120 C119 C118 118.2(4) .
C120 C119 C127 119.6(4) .
C118 C119 C127 121.9(4) .
C123 C118 C119 119.6(4) .
C123 C118 C98 122.3(4) .
C119 C118 C98 118.0(4) .
C115 C117 H11A 109.5 .
C115 C117 H11B 109.5 .
H11A C117 H11B 109.5 .
C115 C117 H11C 109.5 .
H11A C117 H11C 109.5 .
H11B C117 H11C 109.5 .
C115 C116 H11D 120.0 .
C115 C116 H11E 120.0 .
H11D C116 H11E 120.0 .
C116 C115 C117 123.5(9) .
C116 C115 C106 114.7(8) .
C117 C115 C106 116.7(9) .
C116 C115 H115 97.5 .
C117 C115 H115 97.5 .
C106 C115 H115 97.5 .
C112 C114 H11F 109.5 .
C112 C114 H11G 109.5 .
H11F C114 H11G 109.5 .
C112 C114 H11H 109.5 .
H11F C114 H11H 109.5 .
H11G C114 H11H 109.5 .
C112 C113 H11I 109.5 .
C112 C113 H11J 109.5 .
H11I C113 H11J 109.5 .
C112 C113 H11K 109.5 .
H11I C113 H11K 109.5 .
H11J C113 H11K 109.5 .
C108 C112 C113 113.1(4) .
C108 C112 C114 109.9(4) .
C113 C112 C114 110.5(4) .
C108 C112 H112 107.7 .
C113 C112 H112 107.7 .
C114 C112 H112 107.7 .
C109 C111 H11L 109.5 .
C109 C111 H11M 109.5 .
H11L C111 H11M 109.5 .
C109 C111 H11N 109.5 .
H11L C111 H11N 109.5 .
H11M C111 H11N 109.5 .
C109 C110 H11O 109.5 .
C109 C110 H11P 109.5 .
H11O C110 H11P 109.5 .
C109 C110 H11Q 109.5 .
H11O C110 H11Q 109.5 .
H11P C110 H11Q 109.5 .
C111 C109 C110 110.9(5) .
C111 C109 C104 111.7(5) .
C110 C109 C104 113.7(5) .
C111 C109 H109 106.7 .
C110 C109 H109 106.7 .
C104 C109 H109 106.7 .
C107 C108 C103 118.7(5) .
C107 C108 C112 120.4(5) .
C103 C108 C112 120.6(4) .
C106 C107 C108 121.4(6) .
C106 C107 H107 119.3 .
C108 C107 H107 119.3 .
C105 C106 C107 118.7(6) .
C105 C106 C115 120.2(8) .
C107 C106 C115 121.1(8) .
C106 C105 C104 122.0(6) .
C106 C105 H105 119.0 .
C104 C105 H105 119.0 .
C105 C104 C103 119.5(5) .
C105 C104 C109 118.6(5) .
C103 C104 C109 121.7(5) .
C108 C103 C104 119.7(5) .
C108 C103 C102 122.2(4) .
C104 C103 C102 118.0(4) .
C101 C102 C97 119.6(4) .
C101 C102 C103 118.0(4) .
C97 C102 C103 122.0(4) .
C100 C101 C102 121.4(4) .
C100 C101 H101 119.3 .
C102 C101 H101 119.3 .
C101 C100 C99 119.4(4) .
C101 C100 H100 120.3 .
C99 C100 H100 120.3 .
C100 C99 C98 120.0(4) .
C100 C99 H99 120.0 .
C98 C99 H99 120.0 .
C12 C7 C8 117.6(4) .
C12 C7 Sn2 118.1(3) .
C8 C7 Sn2 124.3(3) .
C5 C6 C1 121.1(4) .
C5 C6 P1 120.2(3) .
C1 C6 P1 118.3(3) .
C4 C5 C6 120.6(4) .
C4 C5 H5 119.7 .
C6 C5 H5 119.7 .
C9 C8 C7 121.9(4) .
C9 C8 H8 119.1 .
C7 C8 H8 119.1 .
C8 C9 C10 119.8(4) .
C8 C9 H9 120.1 .
C10 C9 H9 120.1 .
C9 C10 C11 119.5(4) .
C9 C10 H10 120.2 .
C11 C10 H10 120.2 .
C10 C11 C12 120.9(4) .
C10 C11 H11 119.5 .
C12 C11 H11 119.5 .
C11 C12 C7 120.3(4) .
C11 C12 P2 119.9(3) .
C7 C12 P2 119.7(3) .
C18 C13 C14 117.6(4) .
C18 C13 Sn3 117.8(3) .
C14 C13 Sn3 124.5(3) .
C15 C14 C13 121.6(4) .
C15 C14 H14 119.2 .
C13 C14 H14 119.2 .
C16 C15 C14 119.6(4) .
C16 C15 H15 120.2 .
C14 C15 H15 120.2 .
C17 C16 C15 120.2(4) .
C17 C16 H16 119.9 .
C15 C16 H16 119.9 .
C16 C17 C18 120.6(4) .
C16 C17 H17 119.7 .
C18 C17 H17 119.7 .
C17 C18 C13 120.3(4) .
C17 C18 P3 122.2(3) .
C13 C18 P3 116.6(3) .
C20 C19 C24 117.6(4) .
C20 C19 Sn4 124.1(3) .
C24 C19 Sn4 118.3(3) .
C21 C20 C19 121.8(4) .
C21 C20 H20 119.1 .
C19 C20 H20 119.1 .
C22 C21 C20 120.3(4) .
C22 C21 H21 119.8 .
C20 C21 H21 119.8 .
C21 C22 C23 119.5(4) .
C21 C22 H22 120.3 .
C23 C22 H22 120.3 .
C22 C23 C24 120.2(4) .
C22 C23 H23 119.9 .
C24 C23 H23 119.9 .
C23 C24 C19 120.5(4) .
C23 C24 P4 121.8(3) .
C19 C24 P4 117.5(3) .
C29 C28 C27 120.1(4) .
C29 C28 H28 119.9 .
C27 C28 H28 119.9 .
C28 C27 C26 120.8(4) .
C28 C27 H27 119.6 .
C26 C27 H27 119.6 .
C25 C26 C27 119.5(4) .
C25 C26 C31 123.4(3) .
C27 C26 C31 117.0(4) .
C26 C25 C30 118.9(3) .
C26 C25 Sn1 128.5(3) .
C30 C25 Sn1 112.2(3) .
C28 C29 C30 120.4(4) .
C28 C29 H29 119.8 .
C30 C29 H29 119.8 .
C29 C30 C25 120.0(4) .
C29 C30 C46 119.2(4) .
C25 C30 C46 120.6(3) .
C36 C31 C32 119.1(4) .
C36 C31 C26 122.1(4) .
C32 C31 C26 118.5(4) .
C33 C32 C31 118.7(5) .
C33 C32 C40 119.5(4) .
C31 C32 C40 121.7(4) .
C34 C33 C32 123.0(5) .
C34 C33 H33 118.5 .
C32 C33 H33 118.5 .
C35 C36 C31 119.4(4) .
C35 C36 C37 118.7(4) .
C31 C36 C37 121.8(4) .
C34 C35 C36 122.2(5) .
C34 C35 H35 118.9 .
C36 C35 H35 118.9 .
C33 C34 C35 117.6(5) .
C33 C34 C43 120.8(5) .
C35 C34 C43 121.6(5) .
C36 C37 C38 111.5(4) .
C36 C37 C39 110.9(4) .
C38 C37 C39 110.5(4) .
C36 C37 H37 107.9 .
C38 C37 H37 107.9 .
C39 C37 H37 107.9 .
C37 C38 H38A 109.5 .
C37 C38 H38B 109.5 .
H38A C38 H38B 109.5 .
C37 C38 H38C 109.5 .
H38A C38 H38C 109.5 .
H38B C38 H38C 109.5 .
C250 C252 C251 137(4) 3_567
C250 C252 H25X 111.3 3_567
C251 C252 H25X 111.3 .
C250 C251 C252 115(3) .
C250 C251 H25Y 122.4 .
C252 C251 H25Y 122.4 .
C252 C250 C251 107(3) 3_567
C252 C250 H25Z 126.3 3_567
C251 C250 H25Z 126.3 .
C226 C227 H22A 109.5 .
C226 C227 H22B 109.5 .
H22A C227 H22B 109.5 .
C226 C227 H22C 109.5 .
H22A C227 H22C 109.5 .
H22B C227 H22C 109.5 .
C227 C226 C225 119.3(16) .
C227 C226 H22D 107.5 .
C225 C226 H22D 107.5 .
C227 C226 H22E 107.5 .
C225 C226 H22E 107.5 .
H22D C226 H22E 107.0 .
C224 C225 C226 109.2(13) .
C224 C225 H22F 109.8 .
C226 C225 H22F 109.8 .
C224 C225 H22G 109.8 .
C226 C225 H22G 109.8 .
H22F C225 H22G 108.3 .
C223 C224 C225 111.6(14) .
C223 C224 H22Y 109.3 .
C225 C224 H22Y 109.3 .
C223 C224 H22Z 109.3 .
C225 C224 H22Z 109.3 .
H22Y C224 H22Z 108.0 .
C224 C223 H22S 109.5 .
C224 C223 H22T 109.5 .
H22S C223 H22T 109.5 .
C224 C223 H22U 109.5 .
H22S C223 H22U 109.5 .
H22T C223 H22U 109.5 .
C32 C40 C41 112.0(4) .
C32 C40 C42 110.5(4) .
C41 C40 C42 109.8(4) .
C32 C40 H40 108.1 .
C41 C40 H40 108.1 .
C42 C40 H40 108.1 .
C37 C39 H39A 109.5 .
C37 C39 H39B 109.5 .
H39A C39 H39B 109.5 .
C37 C39 H39C 109.5 .
H39A C39 H39C 109.5 .
H39B C39 H39C 109.5 .
C51 C46 C47 119.1(4) .
C51 C46 C30 121.2(4) .
C47 C46 C30 119.5(4) .
C43 C45 H45A 109.5 .
C43 C45 H45B 109.5 .
H45A C45 H45B 109.5 .
C43 C45 H45C 109.5 .
H45A C45 H45C 109.5 .
H45B C45 H45C 109.5 .
C43 C44 H44A 109.5 .
C43 C44 H44B 109.5 .
H44A C44 H44B 109.5 .
C43 C44 H44C 109.5 .
H44A C44 H44C 109.5 .
H44B C44 H44C 109.5 .
C45 C43 C44 110.8(6) .
C45 C43 C34 110.4(5) .
C44 C43 C34 113.5(5) .
C45 C43 H43 107.3 .
C44 C43 H43 107.3 .
C34 C43 H43 107.3 .
C40 C42 H42A 109.5 .
C40 C42 H42B 109.5 .
H42A C42 H42B 109.5 .
C40 C42 H42C 109.5 .
H42A C42 H42C 109.5 .
H42B C42 H42C 109.5 .
C40 C41 H41A 109.5 .
C40 C41 H41B 109.5 .
H41A C41 H41B 109.5 .
C40 C41 H41C 109.5 .
H41A C41 H41C 109.5 .
H41B C41 H41C 109.5 .
C50 C51 C46 119.5(4) .
C50 C51 C52 118.6(4) .
C46 C51 C52 121.8(4) .
C51 C50 C49 121.8(5) .
C51 C50 H50 119.1 .
C49 C50 H50 119.1 .
C48 C49 C50 118.2(5) .
C48 C49 C58 120.5(5) .
C50 C49 C58 121.3(5) .
C49 C48 C47 122.5(5) .
C49 C48 H48 118.7 .
C47 C48 H48 118.7 .
C48 C47 C46 118.8(5) .
C48 C47 C55 119.5(4) .
C46 C47 C55 121.5(4) .
C52 C53 H53A 109.5 .
C52 C53 H53B 109.5 .
H53A C53 H53B 109.5 .
C52 C53 H53C 109.5 .
H53A C53 H53C 109.5 .
H53B C53 H53C 109.5 .
C53 C52 C51 112.4(4) .
C53 C52 C54 110.3(4) .
C51 C52 C54 110.8(4) .
C53 C52 H52 107.7 .
C51 C52 H52 107.7 .
C54 C52 H52 107.7 .
C52 C54 H54A 109.5 .
C52 C54 H54B 109.5 .
H54A C54 H54B 109.5 .
C52 C54 H54C 109.5 .
H54A C54 H54C 109.5 .
H54B C54 H54C 109.5 .
C47 C55 C57 114.1(5) .
C47 C55 C56 110.7(4) .
C57 C55 C56 110.2(5) .
C47 C55 H55 107.2 .
C57 C55 H55 107.2 .
C56 C55 H55 107.2 .
C55 C56 H56A 109.5 .
C55 C56 H56B 109.5 .
H56A C56 H56B 109.5 .
C55 C56 H56C 109.5 .
H56A C56 H56C 109.5 .
H56B C56 H56C 109.5 .
C55 C57 H57A 109.5 .
C55 C57 H57B 109.5 .
H57A C57 H57B 109.5 .
C55 C57 H57C 109.5 .
H57A C57 H57C 109.5 .
H57B C57 H57C 109.5 .
C59 C58 C60 116.3(8) .
C59 C58 C49 117.8(7) .
C60 C58 C49 114.4(6) .
C59 C58 H58 101.4 .
C60 C58 H58 101.4 .
C49 C58 H58 101.4 .
C58 C59 H59A 120.0 .
C58 C59 H59B 120.0 .
H59A C59 H59B 120.0 .
C58 C60 H60A 109.5 .
C58 C60 H60B 109.5 .
H60A C60 H60B 109.5 .
C58 C60 H60C 109.5 .
H60A C60 H60C 109.5 .
H60B C60 H60C 109.5 .
C62 C61 C66 119.3(3) .
C62 C61 Sn2 130.5(3) .
C66 C61 Sn2 110.0(3) .
C63 C62 C61 119.4(4) .
C63 C62 C82 117.0(4) .
C61 C62 C82 123.5(3) .
C64 C63 C62 120.7(4) .
C64 C63 H63 119.7 .
C62 C63 H63 119.7 .
C63 C64 C65 120.2(4) .
C63 C64 H64 119.9 .
C65 C64 H64 119.9 .
C64 C65 C66 120.1(4) .
C64 C65 H65 119.9 .
C66 C65 H65 119.9 .
C65 C66 C61 120.1(4) .
C65 C66 C67 117.7(4) .
C61 C66 C67 122.1(3) .
C68 C69 C70 122.0(4) .
C68 C69 H69 119.0 .
C70 C69 H69 119.0 .
C69 C68 C67 119.1(4) .
C69 C68 C73 119.3(4) .
C67 C68 C73 121.5(4) .
C68 C67 C72 119.2(4) .
C68 C67 C66 121.4(4) .
C72 C67 C66 119.1(4) .
C71 C70 C69 118.0(4) .
C71 C70 C79 120.7(4) .
C69 C70 C79 121.2(4) .
C76 C78 H78A 109.5 .
C76 C78 H78B 109.5 .
H78A C78 H78B 109.5 .
C76 C78 H78C 109.5 .
H78A C78 H78C 109.5 .
H78B C78 H78C 109.5 .
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 .
C72 C76 C78 110.3(4) .
C72 C76 C77 113.1(4) .
C78 C76 C77 109.6(4) .
C72 C76 H76 107.9 .
C78 C76 H76 107.9 .
C77 C76 H76 107.9 .
C73 C75 H75A 109.5 .
C73 C75 H75B 109.5 .
H75A C75 H75B 109.5 .
C73 C75 H75C 109.5 .
H75A C75 H75C 109.5 .
H75B C75 H75C 109.5 .
C73 C74 H74A 109.5 .
C73 C74 H74B 109.5 .
H74A C74 H74B 109.5 .
C73 C74 H74C 109.5 .
H74A C74 H74C 109.5 .
H74B C74 H74C 109.5 .
C68 C73 C75 111.1(3) .
C68 C73 C74 112.3(3) .
C75 C73 C74 109.7(4) .
C68 C73 H73 107.9 .
C75 C73 H73 107.9 .
C74 C73 H73 107.9 .
C71 C72 C67 118.4(4) .
C71 C72 C76 119.3(4) .
C67 C72 C76 122.1(4) .
C70 C71 C72 123.2(4) .
C70 C71 H71 118.4 .
C72 C71 H71 118.4 .
C80 C79 C70 113.6(4) .
C80 C79 C81 109.8(4) .
C70 C79 C81 111.1(4) .
C80 C79 H79 107.3 .
C70 C79 H79 107.3 .
C81 C79 H79 107.3 .
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 .
C79 C81 H81A 109.5 .
C79 C81 H81B 109.5 .
H81A C81 H81B 109.5 .
C79 C81 H81C 109.5 .
H81A C81 H81C 109.5 .
H81B C81 H81C 109.5 .
C83 C82 C87 120.0(4) .
C83 C82 C62 120.9(4) .
C87 C82 C62 118.6(4) .
C84 C83 C82 118.6(5) .
C84 C83 C88 118.8(4) .
C82 C83 C88 122.5(4) .
C85 C84 C83 122.4(5) .
C85 C84 H84 118.8 .
C83 C84 H84 118.8 .
C86 C85 C84 118.1(5) .
C86 C85 C94 121.1(5) .
C84 C85 C94 120.7(5) .
C85 C86 C87 122.4(5) .
C85 C86 H86 118.8 .
C87 C86 H86 118.8 .
C86 C87 C82 118.4(5) .
C86 C87 C91 119.8(5) .
C82 C87 C91 121.6(4) .
C83 C88 C90 110.9(4) .
C83 C88 C89 112.1(4) .
C90 C88 C89 109.9(4) .
C83 C88 H88 107.9 .
C90 C88 H88 107.9 .
C89 C88 H88 107.9 .
C88 C89 H89A 109.5 .
C88 C89 H89B 109.5 .
H89A C89 H89B 109.5 .
C88 C89 H89C 109.5 .
H89A C89 H89C 109.5 .
H89B C89 H89C 109.5 .
C88 C90 H90A 109.5 .
C88 C90 H90B 109.5 .
H90A C90 H90B 109.5 .
C88 C90 H90C 109.5 .
H90A C90 H90C 109.5 .
H90B C90 H90C 109.5 .
C92 C91 C87 112.7(5) .
C92 C91 C93 109.4(5) .
C87 C91 C93 110.8(5) .
C92 C91 H91 107.9 .
C87 C91 H91 107.9 .
C93 C91 H91 107.9 .
C91 C92 H92A 109.5 .
C91 C92 H92B 109.5 .
H92A C92 H92B 109.5 .
C91 C92 H92C 109.5 .
H92A C92 H92C 109.5 .
H92B C92 H92C 109.5 .
C91 C93 H93A 109.5 .
C91 C93 H93B 109.5 .
H93A C93 H93B 109.5 .
C91 C93 H93C 109.5 .
H93A C93 H93C 109.5 .
H93B C93 H93C 109.5 .
C95 C94 C96 115.4(6) .
C95 C94 C85 113.7(5) .
C96 C94 C85 110.8(5) .
C95 C94 H94 105.3 .
C96 C94 H94 105.3 .
C85 C94 H94 105.3 .
C94 C95 H95A 109.5 .
C94 C95 H95B 109.5 .
H95A C95 H95B 109.5 .
C94 C95 H95C 109.5 .
H95A C95 H95C 109.5 .
H95B C95 H95C 109.5 .
C94 C96 H96A 109.5 .
C94 C96 H96B 109.5 .
H96A C96 H96B 109.5 .
C94 C96 H96C 109.5 .
H96A C96 H96C 109.5 .
H96B C96 H96C 109.5 .
C98 C97 C102 118.6(4) .
C98 C97 Sn4 115.5(3) .
C102 C97 Sn4 125.8(3) .
C99 C98 C97 120.8(4) .
C99 C98 C118 118.3(4) .
C97 C98 C118 120.6(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 P2 2.3084(10) .
Pd1 P1 2.3136(11) .
Pd1 Sn1 2.5567(4) .
Pd1 Sn2 2.5616(4) .
C1 C6 1.400(6) .
C1 C2 1.404(5) .
C1 Sn1 2.208(4) .
Sn1 C25 2.208(4) .
P1 C181 1.820(4) .
P1 C187 1.842(5) .
P1 C6 1.858(4) .
Pd2 P4 2.3282(10) .
Pd2 P3 2.3293(10) .
Pd2 Sn3 2.5648(4) .
Pd2 Sn4 2.5940(4) .
C2 C3 1.381(6) .
C2 H2 0.9500 .
Sn2 C7 2.200(4) .
Sn2 C61 2.233(4) .
P2 C169 1.823(4) .
P2 C12 1.840(4) .
P2 C175 1.848(4) .
Sn3 C13 2.201(4) .
Sn3 C133 2.209(4) .
C3 C4 1.390(6) .
C3 H3 0.9500 .
P3 C205 1.821(4) .
P3 C211 1.839(4) .
P3 C18 1.853(4) .
Sn4 C19 2.212(4) .
Sn4 C97 2.245(4) .
C4 C5 1.383(6) .
C4 H4 0.9500 .
P4 C193 1.828(4) .
P4 C199 1.846(5) .
P4 C24 1.851(4) .
C222 C217 1.433(14) .
C222 C221 1.516(16) .
C222 H222 0.9500 .
C221 C220 1.344(13) .
C221 H221 0.9500 .
C220 C219 1.345(14) .
C220 H220 0.9500 .
C219 C218 1.385(16) .
C219 H219 0.9500 .
C218 C217 1.250(13) .
C218 H218 0.9500 .
C217 H217 0.9500 .
C216 C215 1.388(7) .
C216 C211 1.399(6) .
C216 H216 0.9500 .
C215 C214 1.377(9) .
C215 H215 0.9500 .
C214 C213 1.367(9) .
C214 H214 0.9500 .
C213 C212 1.390(7) .
C213 H213 0.9500 .
C212 C211 1.375(6) .
C212 H212 0.9500 .
C210 C209 1.386(6) .
C210 C205 1.401(6) .
C210 H210 0.9500 .
C209 C208 1.385(7) .
C209 H209 0.9500 .
C208 C207 1.378(6) .
C208 H208 0.9500 .
C207 C206 1.389(6) .
C207 H207 0.9500 .
C206 C205 1.393(6) .
C206 H206 0.9500 .
C204 C203 1.385(8) .
C204 C199 1.402(6) .
C204 H204 0.9500 .
C203 C202 1.367(9) .
C203 H203 0.9500 .
C202 C201 1.386(8) .
C202 H202 0.9500 .
C201 C200 1.395(7) .
C201 H201 0.9500 .
C200 C199 1.388(7) .
C200 H200 0.9500 .
C198 C197 1.393(7) .
C198 C193 1.393(7) .
C198 H198 0.9500 .
C197 C196 1.380(10) .
C197 H197 0.9500 .
C196 C195 1.380(11) .
C196 H196 0.9500 .
C195 C194 1.388(8) .
C195 H195 0.9500 .
C194 C193 1.402(8) .
C194 H194 0.9500 .
C192 C187 1.385(7) .
C192 C191 1.403(8) .
C192 H192 0.9500 .
C191 C190 1.361(11) .
C191 H191 0.9500 .
C190 C189 1.358(11) .
C190 H190 0.9500 .
C189 C188 1.381(8) .
C189 H189 0.9500 .
C188 C187 1.384(8) .
C188 H188 0.9500 .
C186 C185 1.390(6) .
C186 C181 1.403(5) .
C186 H186 0.9500 .
C185 C184 1.381(6) .
C185 H185 0.9500 .
C184 C183 1.387(6) .
C184 H184 0.9500 .
C183 C182 1.388(6) .
C183 H183 0.9500 .
C182 C181 1.388(6) .
C182 H182 0.9500 .
C180 C175 1.384(6) .
C180 C179 1.396(7) .
C180 H180 0.9500 .
C179 C178 1.378(7) .
C179 H179 0.9500 .
C178 C177 1.383(7) .
C178 H178 0.9500 .
C177 C176 1.386(7) .
C177 H177 0.9500 .
C176 C175 1.389(6) .
C176 H176 0.9500 .
C174 C173 1.385(6) .
C174 C169 1.401(5) .
C174 H174 0.9500 .
C173 C172 1.387(6) .
C173 H173 0.9500 .
C172 C171 1.385(6) .
C172 H172 0.9500 .
C171 C170 1.382(6) .
C171 H171 0.9500 .
C170 C169 1.397(6) .
C170 H170 0.9500 .
C168 C166 1.516(7) .
C168 H16A 0.9800 .
C168 H16B 0.9800 .
C168 H16C 0.9800 .
C167 C166 1.526(8) .
C167 H16D 0.9800 .
C167 H16E 0.9800 .
C167 H16F 0.9800 .
C166 C155 1.518(7) .
C166 H166 1.0000 .
C165 C163 1.465(9) .
C165 H16G 0.9800 .
C165 H16H 0.9800 .
C165 H16I 0.9800 .
C164 C163 1.514(9) .
C164 H16J 0.9800 .
C164 H16K 0.9800 .
C164 H16L 0.9800 .
C163 C157 1.535(6) .
C163 H163 1.0000 .
C162 C160 1.540(7) .
C162 H16M 0.9800 .
C162 H16N 0.9800 .
C162 H16O 0.9800 .
C161 C160 1.530(7) .
C161 H16P 0.9800 .
C161 H16Q 0.9800 .
C161 H16R 0.9800 .
C160 C159 1.519(6) .
C160 H160 1.0000 .
C159 C158 1.398(6) .
C159 C154 1.403(6) .
C158 C157 1.384(7) .
C158 H158 0.9500 .
C157 C156 1.394(7) .
C156 C155 1.386(7) .
C156 H156 0.9500 .
C155 C154 1.417(6) .
C154 C134 1.508(6) .
C153 C151 1.521(6) .
C153 H15A 0.9800 .
C153 H15B 0.9800 .
C153 H15C 0.9800 .
C152 C151 1.524(6) .
C152 H15D 0.9800 .
C152 H15E 0.9800 .
C152 H15F 0.9800 .
C151 C144 1.526(6) .
C151 H151 1.0000 .
C150 C148 1.419(9) .
C150 H15G 0.9800 .
C150 H15H 0.9800 .
C150 H15I 0.9800 .
C149 C148 1.537(7) .
C149 H14A 0.9800 .
C149 H14B 0.9800 .
C149 H14C 0.9800 .
C148 C142 1.517(7) .
C148 H148 1.0000 .
C147 C145 1.530(6) .
C147 H14D 0.9800 .
C147 H14E 0.9800 .
C147 H14F 0.9800 .
C146 C145 1.533(6) .
C146 H14G 0.9800 .
C146 H14H 0.9800 .
C146 H14I 0.9800 .
C145 C140 1.529(6) .
C145 H145 1.0000 .
C144 C143 1.387(6) .
C144 C139 1.416(6) .
C143 C142 1.392(6) .
C143 H143 0.9500 .
C142 C141 1.395(6) .
C141 C140 1.386(7) .
C141 H141 0.9500 .
C140 C139 1.413(6) .
C139 C138 1.495(6) .
C138 C133 1.399(6) .
C138 C137 1.412(5) .
C137 C136 1.383(7) .
C137 H137 0.9500 .
C136 C135 1.380(7) .
C136 H136 0.9500 .
C135 C134 1.390(6) .
C135 H135 0.9500 .
C134 C133 1.397(6) .
C132 C130 1.524(7) .
C132 H13A 0.9800 .
C132 H13B 0.9800 .
C132 H13C 0.9800 .
C131 C130 1.522(7) .
C131 H13D 0.9800 .
C131 H13E 0.9800 .
C131 H13F 0.9800 .
C130 C121 1.524(6) .
C130 H130 1.0000 .
C129 C127 1.504(8) .
C129 H12A 0.9800 .
C129 H12B 0.9800 .
C129 H12C 0.9800 .
C128 C127 1.487(10) .
C128 H12D 0.9800 .
C128 H12E 0.9800 .
C128 H12F 0.9800 .
C127 C119 1.517(7) .
C127 H127 1.0000 .
C126 C124 1.529(7) .
C126 H12G 0.9800 .
C126 H12H 0.9800 .
C126 H12I 0.9800 .
C125 C124 1.529(7) .
C125 H12J 0.9800 .
C125 H12K 0.9800 .
C125 H12L 0.9800 .
C124 C123 1.525(6) .
C124 H124 1.0000 .
C123 C122 1.397(6) .
C123 C118 1.404(6) .
C122 C121 1.385(6) .
C122 H122 0.9500 .
C121 C120 1.386(7) .
C120 C119 1.389(6) .
C120 H120 0.9500 .
C119 C118 1.424(6) .
C118 C98 1.501(6) .
C117 C115 1.401(13) .
C117 H11A 0.9800 .
C117 H11B 0.9800 .
C117 H11C 0.9800 .
C116 C115 1.397(12) .
C116 H11D 0.9500 .
C116 H11E 0.9500 .
C115 C106 1.543(10) .
C115 H115 1.0000 .
C114 C112 1.538(7) .
C114 H11F 0.9800 .
C114 H11G 0.9800 .
C114 H11H 0.9800 .
C113 C112 1.533(7) .
C113 H11I 0.9800 .
C113 H11J 0.9800 .
C113 H11K 0.9800 .
C112 C108 1.520(7) .
C112 H112 1.0000 .
C111 C109 1.510(7) .
C111 H11L 0.9800 .
C111 H11M 0.9800 .
C111 H11N 0.9800 .
C110 C109 1.513(7) .
C110 H11O 0.9800 .
C110 H11P 0.9800 .
C110 H11Q 0.9800 .
C109 C104 1.523(8) .
C109 H109 1.0000 .
C108 C107 1.404(8) .
C108 C103 1.405(7) .
C107 C106 1.401(10) .
C107 H107 0.9500 .
C106 C105 1.371(10) .
C105 C104 1.384(8) .
C105 H105 0.9500 .
C104 C103 1.413(7) .
C103 C102 1.495(6) .
C102 C101 1.397(6) .
C102 C97 1.406(6) .
C101 C100 1.386(7) .
C101 H101 0.9500 .
C100 C99 1.388(6) .
C100 H100 0.9500 .
C99 C98 1.401(6) .
C99 H99 0.9500 .
C7 C12 1.404(5) .
C7 C8 1.414(5) .
C6 C5 1.389(6) .
C5 H5 0.9500 .
C8 C9 1.387(6) .
C8 H8 0.9500 .
C9 C10 1.391(6) .
C9 H9 0.9500 .
C10 C11 1.392(6) .
C10 H10 0.9500 .
C11 C12 1.401(6) .
C11 H11 0.9500 .
C13 C18 1.407(6) .
C13 C14 1.409(5) .
C14 C15 1.385(6) .
C14 H14 0.9500 .
C15 C16 1.383(6) .
C15 H15 0.9500 .
C16 C17 1.382(6) .
C16 H16 0.9500 .
C17 C18 1.395(5) .
C17 H17 0.9500 .
C19 C20 1.394(6) .
C19 C24 1.406(6) .
C20 C21 1.382(6) .
C20 H20 0.9500 .
C21 C22 1.380(7) .
C21 H21 0.9500 .
C22 C23 1.391(6) .
C22 H22 0.9500 .
C23 C24 1.401(6) .
C23 H23 0.9500 .
C28 C29 1.376(7) .
C28 C27 1.387(7) .
C28 H28 0.9500 .
C27 C26 1.404(5) .
C27 H27 0.9500 .
C26 C25 1.403(6) .
C26 C31 1.505(6) .
C25 C30 1.417(6) .
C29 C30 1.399(5) .
C29 H29 0.9500 .
C30 C46 1.499(6) .
C31 C36 1.406(6) .
C31 C32 1.417(6) .
C32 C33 1.393(7) .
C32 C40 1.513(7) .
C33 C34 1.383(8) .
C33 H33 0.9500 .
C36 C35 1.399(6) .
C36 C37 1.522(6) .
C35 C34 1.384(7) .
C35 H35 0.9500 .
C34 C43 1.528(7) .
C37 C38 1.525(6) .
C37 C39 1.537(6) .
C37 H37 1.0000 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C252 C250 1.21(4) 3_567
C252 C251 1.420(18) .
C252 H25X 0.9500 .
C251 C250 1.333(18) .
C251 H25Y 0.9500 .
C250 C252 1.21(4) 3_567
C250 H25Z 0.9500 .
C227 C226 1.550(14) .
C227 H22A 0.9800 .
C227 H22B 0.9800 .
C227 H22C 0.9800 .
C226 C225 1.592(15) .
C226 H22D 0.9900 .
C226 H22E 0.9900 .
C225 C224 1.421(13) .
C225 H22F 0.9900 .
C225 H22G 0.9900 .
C224 C223 1.416(16) .
C224 H22Y 0.9900 .
C224 H22Z 0.9900 .
C223 H22S 0.9800 .
C223 H22T 0.9800 .
C223 H22U 0.9800 .
C40 C41 1.523(6) .
C40 C42 1.537(7) .
C40 H40 1.0000 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C46 C51 1.411(7) .
C46 C47 1.425(6) .
C45 C43 1.507(8) .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C44 C43 1.508(11) .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C43 H43 1.0000 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C51 C50 1.385(6) .
C51 C52 1.529(6) .
C50 C49 1.396(7) .
C50 H50 0.9500 .
C49 C48 1.380(8) .
C49 C58 1.526(7) .
C48 C47 1.385(7) .
C48 H48 0.9500 .
C47 C55 1.520(7) .
C53 C52 1.527(7) .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C52 C54 1.544(6) .
C52 H52 1.0000 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 C57 1.531(6) .
C55 C56 1.533(8) .
C55 H55 1.0000 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 C59 1.339(13) .
C58 C60 1.487(9) .
C58 H58 1.0000 .
C59 H59A 0.9500 .
C59 H59B 0.9500 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 C62 1.405(5) .
C61 C66 1.406(6) .
C62 C63 1.404(5) .
C62 C82 1.510(6) .
C63 C64 1.383(6) .
C63 H63 0.9500 .
C64 C65 1.385(6) .
C64 H64 0.9500 .
C65 C66 1.399(5) .
C65 H65 0.9500 .
C66 C67 1.499(6) .
C69 C68 1.389(6) .
C69 C70 1.402(6) .
C69 H69 0.9500 .
C68 C67 1.414(6) .
C68 C73 1.524(5) .
C67 C72 1.428(6) .
C70 C71 1.369(6) .
C70 C79 1.526(6) .
C78 C76 1.529(7) .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
C77 C76 1.532(6) .
C77 H77A 0.9800 .
C77 H77B 0.9800 .
C77 H77C 0.9800 .
C76 C72 1.515(6) .
C76 H76 1.0000 .
C75 C73 1.529(6) .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 H75C 0.9800 .
C74 C73 1.539(6) .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C73 H73 1.0000 .
C72 C71 1.389(6) .
C71 H71 0.9500 .
C79 C80 1.522(7) .
C79 C81 1.526(7) .
C79 H79 1.0000 .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 H81C 0.9800 .
C82 C83 1.407(7) .
C82 C87 1.408(6) .
C83 C84 1.396(7) .
C83 C88 1.514(7) .
C84 C85 1.381(8) .
C84 H84 0.9500 .
C85 C86 1.380(8) .
C85 C94 1.530(7) .
C86 C87 1.400(7) .
C86 H86 0.9500 .
C87 C91 1.520(8) .
C88 C90 1.531(7) .
C88 C89 1.533(6) .
C88 H88 1.0000 .
C89 H89A 0.9800 .
C89 H89B 0.9800 .
C89 H89C 0.9800 .
C90 H90A 0.9800 .
C90 H90B 0.9800 .
C90 H90C 0.9800 .
C91 C92 1.512(8) .
C91 C93 1.535(8) .
C91 H91 1.0000 .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
C93 H93A 0.9800 .
C93 H93B 0.9800 .
C93 H93C 0.9800 .
C94 C95 1.469(8) .
C94 C96 1.500(8) .
C94 H94 1.0000 .
C95 H95A 0.9800 .
C95 H95B 0.9800 .
C95 H95C 0.9800 .
C96 H96A 0.9800 .
C96 H96B 0.9800 .
C96 H96C 0.9800 .
C97 C98 1.403(6) .
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_4
C6 C1 C2 C3 0.8(6) . .
Sn1 C1 C2 C3 178.8(3) . .
C1 C2 C3 C4 -2.2(7) . .
C2 C3 C4 C5 0.5(7) . .
C217 C222 C221 C220 -6.2(13) . .
C222 C221 C220 C219 13.8(14) . .
C221 C220 C219 C218 -16.0(18) . .
C220 C219 C218 C217 5.7(16) . .
C219 C218 C217 C222 2.5(14) . .
C221 C222 C217 C218 -1.7(16) . .
C211 C216 C215 C214 -0.5(8) . .
C216 C215 C214 C213 -1.6(8) . .
C215 C214 C213 C212 2.1(8) . .
C214 C213 C212 C211 -0.4(8) . .
C213 C212 C211 C216 -1.7(7) . .
C213 C212 C211 P3 167.1(4) . .
C215 C216 C211 C212 2.1(7) . .
C215 C216 C211 P3 -166.5(4) . .
C205 P3 C211 C212 157.2(4) . .
C18 P3 C211 C212 -96.2(4) . .
Pd2 P3 C211 C212 27.1(4) . .
C205 P3 C211 C216 -34.4(4) . .
C18 P3 C211 C216 72.3(4) . .
Pd2 P3 C211 C216 -164.5(3) . .
C205 C210 C209 C208 0.1(7) . .
C210 C209 C208 C207 1.3(7) . .
C209 C208 C207 C206 -0.9(7) . .
C208 C207 C206 C205 -1.0(7) . .
C207 C206 C205 C210 2.4(6) . .
C207 C206 C205 P3 178.8(3) . .
C209 C210 C205 C206 -1.9(7) . .
C209 C210 C205 P3 -178.6(4) . .
C211 P3 C205 C206 124.4(4) . .
C18 P3 C205 C206 25.7(4) . .
Pd2 P3 C205 C206 -101.4(3) . .
C211 P3 C205 C210 -59.1(4) . .
C18 P3 C205 C210 -157.9(3) . .
Pd2 P3 C205 C210 75.1(3) . .
C199 C204 C203 C202 -1.3(8) . .
C204 C203 C202 C201 -0.3(8) . .
C203 C202 C201 C200 0.8(8) . .
C202 C201 C200 C199 0.2(8) . .
C201 C200 C199 C204 -1.6(7) . .
C201 C200 C199 P4 173.0(4) . .
C203 C204 C199 C200 2.2(7) . .
C203 C204 C199 P4 -172.3(4) . .
C193 P4 C199 C200 140.5(4) . .
C24 P4 C199 C200 -111.7(4) . .
Pd2 P4 C199 C200 10.0(4) . .
C193 P4 C199 C204 -45.2(4) . .
C24 P4 C199 C204 62.7(4) . .
Pd2 P4 C199 C204 -175.6(3) . .
C193 C198 C197 C196 -2.4(8) . .
C198 C197 C196 C195 -1.1(9) . .
C197 C196 C195 C194 2.9(10) . .
C196 C195 C194 C193 -1.1(11) . .
C197 C198 C193 C194 4.1(7) . .
C197 C198 C193 P4 179.7(4) . .
C195 C194 C193 C198 -2.3(9) . .
C195 C194 C193 P4 -178.2(5) . .
C199 P4 C193 C198 133.3(4) . .
C24 P4 C193 C198 31.5(4) . .
Pd2 P4 C193 C198 -95.7(4) . .
C199 P4 C193 C194 -51.1(5) . .
C24 P4 C193 C194 -152.9(4) . .
Pd2 P4 C193 C194 79.9(5) . .
C187 C192 C191 C190 0.8(9) . .
C192 C191 C190 C189 -0.3(10) . .
C191 C190 C189 C188 0.3(10) . .
C190 C189 C188 C187 -0.8(10) . .
C189 C188 C187 C192 1.3(8) . .
C189 C188 C187 P1 -171.7(5) . .
C191 C192 C187 C188 -1.3(7) . .
C191 C192 C187 P1 171.2(4) . .
C181 P1 C187 C188 -170.5(4) . .
C6 P1 C187 C188 83.4(4) . .
Pd1 P1 C187 C188 -39.0(4) . .
C181 P1 C187 C192 17.0(4) . .
C6 P1 C187 C192 -89.0(4) . .
Pd1 P1 C187 C192 148.5(4) . .
C181 C186 C185 C184 -1.2(8) . .
C186 C185 C184 C183 -1.7(8) . .
C185 C184 C183 C182 1.6(7) . .
C184 C183 C182 C181 1.4(7) . .
C183 C182 C181 C186 -4.2(7) . .
C183 C182 C181 P1 179.4(3) . .
C185 C186 C181 C182 4.0(7) . .
C185 C186 C181 P1 -179.4(4) . .
C187 P1 C181 C182 -127.7(4) . .
C6 P1 C181 C182 -27.0(4) . .
Pd1 P1 C181 C182 98.9(4) . .
C187 P1 C181 C186 55.9(4) . .
C6 P1 C181 C186 156.6(4) . .
Pd1 P1 C181 C186 -77.5(4) . .
C175 C180 C179 C178 -0.6(7) . .
C180 C179 C178 C177 1.4(7) . .
C179 C178 C177 C176 -0.3(7) . .
C178 C177 C176 C175 -1.7(7) . .
C179 C180 C175 C176 -1.4(6) . .
C179 C180 C175 P2 170.9(4) . .
C177 C176 C175 C180 2.5(6) . .
C177 C176 C175 P2 -170.4(3) . .
C169 P2 C175 C180 9.7(4) . .
C12 P2 C175 C180 -96.6(4) . .
Pd1 P2 C175 C180 140.4(3) . .
C169 P2 C175 C176 -177.8(3) . .
C12 P2 C175 C176 75.8(3) . .
Pd1 P2 C175 C176 -47.1(4) . .
C169 C174 C173 C172 -1.8(7) . .
C174 C173 C172 C171 -0.5(7) . .
C173 C172 C171 C170 0.7(7) . .
C172 C171 C170 C169 1.4(7) . .
C171 C170 C169 C174 -3.6(6) . .
C171 C170 C169 P2 -177.4(3) . .
C173 C174 C169 C170 3.8(6) . .
C173 C174 C169 P2 177.6(3) . .
C12 P2 C169 C170 -27.6(4) . .
C175 P2 C169 C170 -127.7(3) . .
Pd1 P2 C169 C170 95.4(3) . .
C12 P2 C169 C174 158.7(3) . .
C175 P2 C169 C174 58.6(4) . .
Pd1 P2 C169 C174 -78.2(3) . .
C161 C160 C159 C158 -75.2(6) . .
C162 C160 C159 C158 49.7(6) . .
C161 C160 C159 C154 102.1(5) . .
C162 C160 C159 C154 -133.0(5) . .
C154 C159 C158 C157 -1.3(7) . .
C160 C159 C158 C157 176.0(4) . .
C159 C158 C157 C156 -0.5(7) . .
C159 C158 C157 C163 179.4(4) . .
C165 C163 C157 C158 9.8(9) . .
C164 C163 C157 C158 133.1(7) . .
C165 C163 C157 C156 -170.3(7) . .
C164 C163 C157 C156 -47.0(8) . .
C158 C157 C156 C155 0.5(8) . .
C163 C157 C156 C155 -179.4(5) . .
C157 C156 C155 C154 1.2(8) . .
C157 C156 C155 C166 -175.5(5) . .
C168 C166 C155 C156 -36.7(7) . .
C167 C166 C155 C156 88.3(6) . .
C168 C166 C155 C154 146.7(5) . .
C167 C166 C155 C154 -88.3(5) . .
C158 C159 C154 C155 3.1(6) . .
C160 C159 C154 C155 -174.2(4) . .
C158 C159 C154 C134 -177.4(4) . .
C160 C159 C154 C134 5.3(7) . .
C156 C155 C154 C159 -3.0(7) . .
C166 C155 C154 C159 173.6(4) . .
C156 C155 C154 C134 177.4(4) . .
C166 C155 C154 C134 -5.9(6) . .
C153 C151 C144 C143 39.2(5) . .
C152 C151 C144 C143 -85.8(5) . .
C153 C151 C144 C139 -146.3(4) . .
C152 C151 C144 C139 88.6(5) . .
C139 C144 C143 C142 0.1(6) . .
C151 C144 C143 C142 174.6(4) . .
C144 C143 C142 C141 3.1(6) . .
C144 C143 C142 C148 -173.8(4) . .
C150 C148 C142 C143 -14.3(7) . .
C149 C148 C142 C143 109.3(5) . .
C150 C148 C142 C141 168.9(5) . .
C149 C148 C142 C141 -67.5(6) . .
C143 C142 C141 C140 -2.4(6) . .
C148 C142 C141 C140 174.5(4) . .
C142 C141 C140 C139 -1.4(6) . .
C142 C141 C140 C145 178.7(4) . .
C147 C145 C140 C141 -59.1(5) . .
C146 C145 C140 C141 64.6(5) . .
C147 C145 C140 C139 121.1(4) . .
C146 C145 C140 C139 -115.3(5) . .
C141 C140 C139 C144 4.7(6) . .
C145 C140 C139 C144 -175.5(4) . .
C141 C140 C139 C138 -167.0(4) . .
C145 C140 C139 C138 12.8(6) . .
C143 C144 C139 C140 -4.0(6) . .
C151 C144 C139 C140 -178.4(4) . .
C143 C144 C139 C138 167.7(4) . .
C151 C144 C139 C138 -6.7(6) . .
C140 C139 C138 C133 -121.4(4) . .
C144 C139 C138 C133 67.0(5) . .
C140 C139 C138 C137 63.2(5) . .
C144 C139 C138 C137 -108.4(4) . .
C133 C138 C137 C136 -0.5(6) . .
C139 C138 C137 C136 175.1(4) . .
C138 C137 C136 C135 -2.3(7) . .
C137 C136 C135 C134 2.1(7) . .
C136 C135 C134 C133 1.0(6) . .
C136 C135 C134 C154 -174.7(4) . .
C159 C154 C134 C135 -79.1(6) . .
C155 C154 C134 C135 100.5(5) . .
C159 C154 C134 C133 105.2(5) . .
C155 C154 C134 C133 -75.3(5) . .
C135 C134 C133 C138 -3.9(6) . .
C154 C134 C133 C138 171.9(4) . .
C135 C134 C133 Sn3 170.3(3) . .
C154 C134 C133 Sn3 -13.9(5) . .
C137 C138 C133 C134 3.6(6) . .
C139 C138 C133 C134 -171.7(4) . .
C137 C138 C133 Sn3 -170.6(3) . .
C139 C138 C133 Sn3 14.1(5) . .
C125 C124 C123 C122 52.1(6) . .
C126 C124 C123 C122 -72.1(5) . .
C125 C124 C123 C118 -129.8(5) . .
C126 C124 C123 C118 106.0(5) . .
C118 C123 C122 C121 0.1(7) . .
C124 C123 C122 C121 178.3(4) . .
C123 C122 C121 C120 -0.5(7) . .
C123 C122 C121 C130 -175.4(4) . .
C131 C130 C121 C122 -27.9(6) . .
C132 C130 C121 C122 97.3(5) . .
C131 C130 C121 C120 157.3(4) . .
C132 C130 C121 C120 -77.5(5) . .
C122 C121 C120 C119 -0.2(7) . .
C130 C121 C120 C119 174.9(4) . .
C121 C120 C119 C118 1.2(7) . .
C121 C120 C119 C127 -172.8(4) . .
C128 C127 C119 C120 83.3(7) . .
C129 C127 C119 C120 -41.7(7) . .
C128 C127 C119 C118 -90.4(7) . .
C129 C127 C119 C118 144.5(5) . .
C122 C123 C118 C119 1.0(6) . .
C124 C123 C118 C119 -177.1(4) . .
C122 C123 C118 C98 177.3(4) . .
C124 C123 C118 C98 -0.8(6) . .
C120 C119 C118 C123 -1.6(6) . .
C127 C119 C118 C123 172.2(4) . .
C120 C119 C118 C98 -178.0(4) . .
C127 C119 C118 C98 -4.2(6) . .
C113 C112 C108 C107 -45.7(6) . .
C114 C112 C108 C107 78.3(6) . .
C113 C112 C108 C103 141.7(5) . .
C114 C112 C108 C103 -94.3(6) . .
C103 C108 C107 C106 0.3(8) . .
C112 C108 C107 C106 -172.5(5) . .
C108 C107 C106 C105 1.9(10) . .
C108 C107 C106 C115 -179.3(7) . .
C116 C115 C106 C105 -52.5(14) . .
C117 C115 C106 C105 151.8(10) . .
C116 C115 C106 C107 128.7(10) . .
C117 C115 C106 C107 -27.1(14) . .
C107 C106 C105 C104 -2.3(10) . .
C115 C106 C105 C104 178.8(7) . .
C106 C105 C104 C103 0.6(9) . .
C106 C105 C104 C109 175.1(6) . .
C111 C109 C104 C105 -71.8(7) . .
C110 C109 C104 C105 54.7(7) . .
C111 C109 C104 C103 102.6(6) . .
C110 C109 C104 C103 -131.0(5) . .
C107 C108 C103 C104 -2.0(7) . .
C112 C108 C103 C104 170.8(4) . .
C107 C108 C103 C102 -177.4(4) . .
C112 C108 C103 C102 -4.7(6) . .
C105 C104 C103 C108 1.6(7) . .
C109 C104 C103 C108 -172.7(4) . .
C105 C104 C103 C102 177.2(5) . .
C109 C104 C103 C102 2.9(6) . .
C108 C103 C102 C101 93.8(5) . .
C104 C103 C102 C101 -81.7(5) . .
C108 C103 C102 C97 -94.3(5) . .
C104 C103 C102 C97 90.2(5) . .
C97 C102 C101 C100 -2.3(6) . .
C103 C102 C101 C100 169.9(4) . .
C102 C101 C100 C99 -1.3(7) . .
C101 C100 C99 C98 2.4(7) . .
C2 C1 C6 C5 2.2(6) . .
Sn1 C1 C6 C5 -175.9(3) . .
C2 C1 C6 P1 174.9(3) . .
Sn1 C1 C6 P1 -3.2(4) . .
C181 P1 C6 C5 -40.0(4) . .
C187 P1 C6 C5 65.6(4) . .
Pd1 P1 C6 C5 -167.6(3) . .
C181 P1 C6 C1 147.2(3) . .
C187 P1 C6 C1 -107.2(4) . .
Pd1 P1 C6 C1 19.6(4) . .
C3 C4 C5 C6 2.5(7) . .
C1 C6 C5 C4 -3.9(7) . .
P1 C6 C5 C4 -176.5(4) . .
C12 C7 C8 C9 1.7(6) . .
Sn2 C7 C8 C9 179.7(3) . .
C7 C8 C9 C10 -2.1(7) . .
C8 C9 C10 C11 0.8(7) . .
C9 C10 C11 C12 0.9(7) . .
C10 C11 C12 C7 -1.4(7) . .
C10 C11 C12 P2 -176.9(3) . .
C8 C7 C12 C11 0.1(6) . .
Sn2 C7 C12 C11 -178.1(3) . .
C8 C7 C12 P2 175.7(3) . .
Sn2 C7 C12 P2 -2.5(4) . .
C169 P2 C12 C11 -44.2(4) . .
C175 P2 C12 C11 62.2(4) . .
Pd1 P2 C12 C11 -167.1(3) . .
C169 P2 C12 C7 140.2(3) . .
C175 P2 C12 C7 -113.4(4) . .
Pd1 P2 C12 C7 17.3(4) . .
C18 C13 C14 C15 -2.0(6) . .
Sn3 C13 C14 C15 179.8(3) . .
C13 C14 C15 C16 1.6(7) . .
C14 C15 C16 C17 0.0(7) . .
C15 C16 C17 C18 -1.2(7) . .
C16 C17 C18 C13 0.7(7) . .
C16 C17 C18 P3 169.7(3) . .
C14 C13 C18 C17 0.8(6) . .
Sn3 C13 C18 C17 179.2(3) . .
C14 C13 C18 P3 -168.8(3) . .
Sn3 C13 C18 P3 9.6(4) . .
C205 P3 C18 C17 36.8(4) . .
C211 P3 C18 C17 -67.7(4) . .
Pd2 P3 C18 C17 163.8(3) . .
C205 P3 C18 C13 -153.9(3) . .
C211 P3 C18 C13 101.6(3) . .
Pd2 P3 C18 C13 -26.8(3) . .
C24 C19 C20 C21 -2.0(7) . .
Sn4 C19 C20 C21 178.8(4) . .
C19 C20 C21 C22 2.0(7) . .
C20 C21 C22 C23 0.2(8) . .
C21 C22 C23 C24 -2.2(7) . .
C22 C23 C24 C19 2.1(7) . .
C22 C23 C24 P4 176.5(4) . .
C20 C19 C24 C23 0.0(6) . .
Sn4 C19 C24 C23 179.2(3) . .
C20 C19 C24 P4 -174.6(3) . .
Sn4 C19 C24 P4 4.6(4) . .
C193 P4 C24 C23 28.1(4) . .
C199 P4 C24 C23 -75.7(4) . .
Pd2 P4 C24 C23 158.3(3) . .
C193 P4 C24 C19 -157.4(3) . .
C199 P4 C24 C19 98.8(3) . .
Pd2 P4 C24 C19 -27.1(4) . .
C29 C28 C27 C26 -2.5(7) . .
C28 C27 C26 C25 -1.4(7) . .
C28 C27 C26 C31 174.1(4) . .
C27 C26 C25 C30 4.0(6) . .
C31 C26 C25 C30 -171.2(4) . .
C27 C26 C25 Sn1 -168.3(3) . .
C31 C26 C25 Sn1 16.5(6) . .
C27 C28 C29 C30 3.8(7) . .
C28 C29 C30 C25 -1.1(7) . .
C28 C29 C30 C46 -177.0(4) . .
C26 C25 C30 C29 -2.8(6) . .
Sn1 C25 C30 C29 170.7(3) . .
C26 C25 C30 C46 173.0(4) . .
Sn1 C25 C30 C46 -13.5(5) . .
C25 C26 C31 C36 -109.5(5) . .
C27 C26 C31 C36 75.1(5) . .
C25 C26 C31 C32 76.2(5) . .
C27 C26 C31 C32 -99.2(5) . .
C36 C31 C32 C33 1.1(6) . .
C26 C31 C32 C33 175.5(4) . .
C36 C31 C32 C40 -174.5(4) . .
C26 C31 C32 C40 0.0(6) . .
C31 C32 C33 C34 -2.2(7) . .
C40 C32 C33 C34 173.5(4) . .
C32 C31 C36 C35 0.2(6) . .
C26 C31 C36 C35 -174.0(4) . .
C32 C31 C36 C37 177.8(4) . .
C26 C31 C36 C37 3.6(6) . .
C31 C36 C35 C34 -0.5(6) . .
C37 C36 C35 C34 -178.1(4) . .
C32 C33 C34 C35 1.9(7) . .
C32 C33 C34 C43 -175.5(5) . .
C36 C35 C34 C33 -0.5(7) . .
C36 C35 C34 C43 176.8(4) . .
C35 C36 C37 C38 -60.4(5) . .
C31 C36 C37 C38 122.0(4) . .
C35 C36 C37 C39 63.3(5) . .
C31 C36 C37 C39 -114.3(4) . .
C250 C252 C251 C250 -3(7) 3_567 .
C252 C251 C250 C252 2(5) . 3_567
C227 C226 C225 C224 -176.5(18) . .
C226 C225 C224 C223 -169.1(15) . .
C33 C32 C40 C41 62.2(6) . .
C31 C32 C40 C41 -122.4(5) . .
C33 C32 C40 C42 -60.6(6) . .
C31 C32 C40 C42 114.9(5) . .
C29 C30 C46 C51 -70.4(6) . .
C25 C30 C46 C51 113.8(5) . .
C29 C30 C46 C47 104.2(5) . .
C25 C30 C46 C47 -71.7(5) . .
C33 C34 C43 C45 95.6(6) . .
C35 C34 C43 C45 -81.7(7) . .
C33 C34 C43 C44 -139.4(6) . .
C35 C34 C43 C44 43.3(8) . .
C47 C46 C51 C50 -1.0(6) . .
C30 C46 C51 C50 173.6(4) . .
C47 C46 C51 C52 179.8(4) . .
C30 C46 C51 C52 -5.7(6) . .
C46 C51 C50 C49 -0.5(7) . .
C52 C51 C50 C49 178.7(4) . .
C51 C50 C49 C48 2.1(7) . .
C51 C50 C49 C58 -177.1(5) . .
C50 C49 C48 C47 -2.3(7) . .
C58 C49 C48 C47 177.0(5) . .
C49 C48 C47 C46 0.8(7) . .
C49 C48 C47 C55 -174.1(5) . .
C51 C46 C47 C48 0.9(6) . .
C30 C46 C47 C48 -173.8(4) . .
C51 C46 C47 C55 175.7(4) . .
C30 C46 C47 C55 1.0(6) . .
C50 C51 C52 C53 52.5(6) . .
C46 C51 C52 C53 -128.3(5) . .
C50 C51 C52 C54 -71.5(6) . .
C46 C51 C52 C54 107.7(5) . .
C48 C47 C55 C57 -33.3(6) . .
C46 C47 C55 C57 152.0(4) . .
C48 C47 C55 C56 91.7(5) . .
C46 C47 C55 C56 -83.0(6) . .
C48 C49 C58 C59 -179.4(8) . .
C50 C49 C58 C59 -0.2(11) . .
C48 C49 C58 C60 -37.2(9) . .
C50 C49 C58 C60 142.0(6) . .
C66 C61 C62 C63 4.6(6) . .
Sn2 C61 C62 C63 -170.3(3) . .
C66 C61 C62 C82 -171.5(4) . .
Sn2 C61 C62 C82 13.6(6) . .
C61 C62 C63 C64 -2.0(6) . .
C82 C62 C63 C64 174.4(4) . .
C62 C63 C64 C65 -1.3(7) . .
C63 C64 C65 C66 2.1(7) . .
C64 C65 C66 C61 0.6(6) . .
C64 C65 C66 C67 -176.4(4) . .
C62 C61 C66 C65 -4.0(6) . .
Sn2 C61 C66 C65 171.9(3) . .
C62 C61 C66 C67 172.9(4) . .
Sn2 C61 C66 C67 -11.2(5) . .
C70 C69 C68 C67 -0.4(6) . .
C70 C69 C68 C73 175.2(4) . .
C69 C68 C67 C72 -2.8(6) . .
C73 C68 C67 C72 -178.3(4) . .
C69 C68 C67 C66 171.4(4) . .
C73 C68 C67 C66 -4.0(6) . .
C65 C66 C67 C68 -72.6(5) . .
C61 C66 C67 C68 110.4(5) . .
C65 C66 C67 C72 101.6(5) . .
C61 C66 C67 C72 -75.4(5) . .
C68 C69 C70 C71 2.8(6) . .
C68 C69 C70 C79 -174.2(4) . .
C69 C68 C73 C75 -69.4(5) . .
C67 C68 C73 C75 106.0(5) . .
C69 C68 C73 C74 53.8(5) . .
C67 C68 C73 C74 -130.8(4) . .
C68 C67 C72 C71 3.5(6) . .
C66 C67 C72 C71 -170.8(4) . .
C68 C67 C72 C76 178.0(4) . .
C66 C67 C72 C76 3.7(6) . .
C78 C76 C72 C71 75.1(5) . .
C77 C76 C72 C71 -48.0(6) . .
C78 C76 C72 C67 -99.4(5) . .
C77 C76 C72 C67 137.5(4) . .
C69 C70 C71 C72 -2.1(6) . .
C79 C70 C71 C72 175.0(4) . .
C67 C72 C71 C70 -1.1(6) . .
C76 C72 C71 C70 -175.7(4) . .
C71 C70 C79 C80 119.5(5) . .
C69 C70 C79 C80 -63.5(6) . .
C71 C70 C79 C81 -116.1(5) . .
C69 C70 C79 C81 60.9(6) . .
C63 C62 C82 C83 76.1(5) . .
C61 C62 C82 C83 -107.6(5) . .
C63 C62 C82 C87 -96.4(5) . .
C61 C62 C82 C87 79.8(5) . .
C87 C82 C83 C84 -1.9(6) . .
C62 C82 C83 C84 -174.3(4) . .
C87 C82 C83 C88 174.8(4) . .
C62 C82 C83 C88 2.4(6) . .
C82 C83 C84 C85 -0.5(6) . .
C88 C83 C84 C85 -177.4(4) . .
C83 C84 C85 C86 1.5(7) . .
C83 C84 C85 C94 178.0(4) . .
C84 C85 C86 C87 -0.2(7) . .
C94 C85 C86 C87 -176.6(4) . .
C85 C86 C87 C82 -2.2(7) . .
C85 C86 C87 C91 173.3(4) . .
C83 C82 C87 C86 3.2(6) . .
C62 C82 C87 C86 175.8(4) . .
C83 C82 C87 C91 -172.2(4) . .
C62 C82 C87 C91 0.5(6) . .
C84 C83 C88 C90 69.4(5) . .
C82 C83 C88 C90 -107.3(5) . .
C84 C83 C88 C89 -53.9(6) . .
C82 C83 C88 C89 129.4(4) . .
C86 C87 C91 C92 61.7(6) . .
C82 C87 C91 C92 -123.0(5) . .
C86 C87 C91 C93 -61.2(7) . .
C82 C87 C91 C93 114.0(6) . .
C86 C85 C94 C95 -59.2(8) . .
C84 C85 C94 C95 124.4(7) . .
C86 C85 C94 C96 72.6(7) . .
C84 C85 C94 C96 -103.8(6) . .
C101 C102 C97 C98 4.7(6) . .
C103 C102 C97 C98 -167.1(4) . .
C101 C102 C97 Sn4 -171.8(3) . .
C103 C102 C97 Sn4 16.3(6) . .
C100 C99 C98 C97 0.1(6) . .
C100 C99 C98 C118 -174.5(4) . .
C102 C97 C98 C99 -3.7(6) . .
Sn4 C97 C98 C99 173.2(3) . .
C102 C97 C98 C118 170.8(4) . .
Sn4 C97 C98 C118 -12.3(5) . .
C123 C118 C98 C99 -72.0(5) . .
C119 C118 C98 C99 104.3(5) . .
C123 C118 C98 C97 113.4(5) . .
C119 C118 C98 C97 -70.3(5) . .
