#------------------------------------------------------------------------------
#$Date: 2015-07-04 12:35:09 +0200 (Sat 04 de Jul de 2015) $
#$Revision: 140003 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/74/7117415.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_7117415
loop_
_publ_author_name
'Christian P. Sindlinger'
'Lars Wesemann'
_publ_section_title
;
 Dimeric platinum-stannylene complexes by twofold ligand transfer from an
 NHC adduct to an organotin(II) hydride
;
_journal_name_full               Chem.Commun.
_journal_page_first              11421
_journal_paper_doi               10.1039/C5cc03425F
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C91 H136 N4 Pt2 Sn2'
_chemical_formula_weight         1913.60
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2015-04-23 deposited with the CCDC.
2015-06-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.5000(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.6296(3)
_cell_length_b                   19.9002(3)
_cell_length_c                   30.4007(5)
_cell_measurement_reflns_used    209
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      25.1107
_cell_measurement_theta_min      1.7120
_cell_volume                     9297.3(3)
_computing_cell_refinement       'APEX2 v2011.8-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_sigmaI/netI    0.0335
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            144045
_diffrn_reflns_theta_full        29.28
_diffrn_reflns_theta_max         29.28
_diffrn_reflns_theta_min         1.72
_diffrn_source                   'fine-focus microsource'
_exptl_absorpt_coefficient_mu    3.572
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5771
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            'clear dark blue-green'
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             3864
_exptl_crystal_size_max          0.379
_exptl_crystal_size_mid          0.133
_exptl_crystal_size_min          0.092
_refine_diff_density_max         1.620
_refine_diff_density_min         -1.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     969
_refine_ls_number_reflns         25189
_refine_ls_number_restraints     136
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0283
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0324P)²+13.9294P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0661
_refine_ls_wR_factor_ref         0.0721
_reflns_number_gt                20626
_reflns_number_total             25189
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc03425f2.cif
_cod_data_source_block           I
_cod_database_code               7117415
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt1 0.734171(7) 0.761957(6) 0.806701(4) 0.01605(3) Uani d . 1 . .
N N1 0.80052(19) 0.85697(14) 0.74154(10) 0.0262(6) Uani d . 1 . .
Pt Pt2 0.709796(7) 0.659526(6) 0.867684(4) 0.01503(3) Uani d . 1 . .
N N2 0.75478(18) 0.91055(14) 0.79346(10) 0.0260(6) Uani d . 1 . .
Sn Sn1 0.855878(13) 0.706995(10) 0.859673(7) 0.01556(4) Uani d . 1 . .
Sn Sn3 0.585649(13) 0.739571(11) 0.82963(7) 0.01748(4) Uani d . 1 . .
C C1 0.99569(19) 0.69284(15) 0.86858(9) 0.0141(5) Uani d . 1 . .
C C2 1.03703(19) 0.63939(15) 0.85098(9) 0.0147(5) Uani d . 1 . .
C C3 0.98685(19) 0.57856(15) 0.83169(10) 0.0174(6) Uani d . 1 . .
C C500 0.7674(2) 0.84737(16) 0.77911(11) 0.0221(7) Uani d . 1 . .
H H500 0.625(3) 0.640(3) 0.8449(16) 0.063(15) Uiso d . 1 . .
C C501 0.8236(3) 0.8017(2) 0.71503(14) 0.0381(9) Uani d . 1 . .
H H50A 0.8005 0.8101 0.6833 0.057 Uiso calc R 1 . .
H H50B 0.7989 0.7599 0.7243 0.057 Uiso calc R 1 . .
H H50C 0.8871 0.7977 0.7195 0.057 Uiso calc R 1 . .
H H501 0.652(3) 0.758(2) 0.7715(14) 0.037(12) Uiso d . 1 . .
C C502 0.8086(2) 0.92519(18) 0.73244(14) 0.0329(9) Uani d . 1 . .
C C503 0.7787(2) 0.95859(18) 0.76442(14) 0.0325(9) Uani d . 1 . .
C C504 0.7204(3) 0.92499(19) 0.83387(14) 0.0347(9) Uani d . 1 . .
H H50D 0.6601 0.9406 0.8257 0.052 Uiso calc R 1 . .
H H50E 0.7557 0.96 0.8511 0.052 Uiso calc R 1 . .
H H50F 0.7221 0.8841 0.852 0.052 Uiso calc R 1 . .
C C505 0.8495(3) 0.3970(2) 0.78034(17) 0.0440(11) Uani d . 1 . .
H H505 0.8184 0.4078 0.7494 0.053 Uiso calc R 1 . .
C C506 0.9123(4) 0.3411(3) 0.7760(3) 0.105(3) Uani d . 1 . .
H H50G 0.8811 0.3041 0.7588 0.158 Uiso calc R 1 . .
H H50H 0.9386 0.3249 0.8059 0.158 Uiso calc R 1 . .
H H50I 0.958 0.3578 0.7607 0.158 Uiso calc R 1 . .
C C507 0.7809(3) 0.3751(2) 0.80671(17) 0.0454(11) Uani d . 1 . .
H H50J 0.7419 0.4129 0.8094 0.068 Uiso calc R 1 . .
H H50K 0.8092 0.3605 0.8366 0.068 Uiso calc R 1 . .
H H50L 0.7472 0.3378 0.7912 0.068 Uiso calc R 1 . .
N N508 0.69294(18) 0.62468(15) 0.96202(9) 0.0227(6) Uani d . 1 . .
N N509 0.72224(18) 0.53606(14) 0.92819(9) 0.0226(6) Uani d . 1 . .
C C513 0.8466(3) 0.9487(2) 0.69379(16) 0.0481(12) Uani d . 1 . .
H H51A 0.8102 0.9334 0.6659 0.072 Uiso calc R 1 . .
H H51B 0.9054 0.9302 0.696 0.072 Uiso calc R 1 . .
H H51C 0.8495 0.9979 0.694 0.072 Uiso calc R 1 . .
C C514 0.7718(3) 1.03240(19) 0.77309(18) 0.0466(12) Uani d . 1 . .
H H51D 0.7948 1.0578 0.7502 0.07 Uiso calc R 1 . .
H H51E 0.8053 1.0432 0.8027 0.07 Uiso calc R 1 . .
H H51F 0.7106 1.0444 0.772 0.07 Uiso calc R 1 . .
C C600 1.0160(7) 0.2570(5) 0.8779(3) 0.053(2) Uani d PDU 0.5 A -1
H H60A 1.0088 0.2539 0.8453 0.079 Uiso calc PR 0.5 A -1
H H60B 1.0749 0.2728 0.8902 0.079 Uiso calc PR 0.5 A -1
H H60C 0.9734 0.2887 0.8859 0.079 Uiso calc PR 0.5 A -1
C C601 1.0017(6) 0.1862(5) 0.8976(3) 0.045(2) Uani d PDU 0.5 A -1
H H60D 1.0393 0.1532 0.886 0.054 Uiso calc PR 0.5 A -1
H H60E 1.0197 0.1878 0.9306 0.054 Uiso calc PR 0.5 A -1
C C602 0.9122(5) 0.1635(4) 0.8868(2) 0.0380(18) Uani d PDU 0.5 A -1
H H60Z 0.8742 0.2016 0.8917 0.046 Uiso calc PR 0.5 A -1
H H60X 0.8992 0.1527 0.8545 0.046 Uiso calc PR 0.5 A -1
C C603 0.8887(10) 0.1083(6) 0.9101(3) 0.089(4) Uani d PDU 0.5 A -1
H H60F 0.9252 0.0701 0.9037 0.107 Uiso calc PR 0.5 A -1
H H60G 0.8279 0.097 0.8966 0.107 Uiso calc PR 0.5 A -1
C C604 0.8934(8) 0.1100(5) 0.9605(3) 0.070(3) Uani d PDU 0.5 A -1
H H60H 0.844 0.1355 0.9675 0.105 Uiso calc PR 0.5 A -1
H H60I 0.9479 0.1316 0.9747 0.105 Uiso calc PR 0.5 A -1
H H60J 0.8916 0.064 0.9718 0.105 Uiso calc PR 0.5 A -1
C C700 0.5427(9) 1.0196(6) 0.9972(3) 0.075(2) Uani d PDU 0.5 B -1
H H70A 0.4907 0.9912 0.9935 0.113 Uiso calc PR 0.5 B -1
H H70B 0.5331 1.0602 1.014 0.113 Uiso calc PR 0.5 B -1
H H70C 0.5926 0.9948 1.0136 0.113 Uiso calc PR 0.5 B -1
C C701 0.5608(7) 1.0396(5) 0.9510(3) 0.0548(17) Uani d PDU 0.5 B -1
H H70D 0.5117 1.0686 0.9371 0.066 Uiso calc PR 0.5 B -1
H H70E 0.5566 0.9979 0.933 0.066 Uiso calc PR 0.5 B -1
C C702 0.6451(6) 1.0758(5) 0.9438(3) 0.052(2) Uani d PDU 0.5 B -1
H H70F 0.6558 1.1131 0.9657 0.063 Uiso calc PR 0.5 B -1
H H70G 0.6937 1.0435 0.952 0.063 Uiso calc PR 0.5 B -1
C C703 0.6515(7) 1.1029(5) 0.9011(3) 0.0548(17) Uani d PDU 0.5 B -1
H H70H 0.6213 1.1468 0.8979 0.066 Uiso calc PR 0.5 B -1
H H70I 0.6199 1.0727 0.8778 0.066 Uiso calc PR 0.5 B -1
C C704 0.7458(8) 1.1133(6) 0.8917(4) 0.075(2) Uani d PDU 0.5 B -1
H H70J 0.7828 1.0759 0.9046 0.113 Uiso calc PR 0.5 B -1
H H70K 0.7696 1.1556 0.9053 0.113 Uiso calc PR 0.5 B -1
H H70L 0.7441 1.115 0.8593 0.113 Uiso calc PR 0.5 B -1
C C4 0.9457(2) 0.57488(16) 0.78639(10) 0.0194(6) Uani d . 1 . .
C C5 0.9021(2) 0.51574(17) 0.77132(12) 0.0259(7) Uani d . 1 . .
H H5 0.8743 0.513 0.7409 0.031 Uiso calc R 1 . .
C C6 0.8975(2) 0.46079(18) 0.79879(13) 0.0294(8) Uani d . 1 . .
C C8 0.9380(2) 0.46588(17) 0.84340(13) 0.0276(7) Uani d . 1 . .
H H8 0.9353 0.4288 0.8628 0.033 Uiso calc R 1 . .
C C9 0.9822(2) 0.52366(16) 0.86035(11) 0.0213(6) Uani d . 1 . .
C C10 1.0230(2) 0.52729(18) 0.90975(12) 0.0275(7) Uani d . 1 . .
H H10 1.0484 0.5733 0.9156 0.033 Uiso calc R 1 . .
C C11 0.9533(3) 0.5187(3) 0.93905(13) 0.0460(11) Uani d . 1 . .
H H11A 0.9059 0.5507 0.9295 0.069 Uiso calc R 1 . .
H H11B 0.9793 0.5272 0.9704 0.069 Uiso calc R 1 . .
H H11C 0.9304 0.4728 0.936 0.069 Uiso calc R 1 . .
C C12 1.0970(3) 0.4769(2) 0.92183(16) 0.0462(11) Uani d . 1 . .
H H12A 1.0751 0.4314 0.9143 0.069 Uiso calc R 1 . .
H H12B 1.1204 0.4796 0.954 0.069 Uiso calc R 1 . .
H H12C 1.1432 0.4874 0.905 0.069 Uiso calc R 1 . .
C C13 0.9524(2) 0.63281(17) 0.75463(10) 0.0227(7) Uani d . 1 . .
H H13 0.9492 0.6755 0.7716 0.027 Uiso calc R 1 . .
C C14 1.0400(3) 0.6317(2) 0.73909(12) 0.0337(8) Uani d . 1 . .
H H14A 1.0455 0.5898 0.7229 0.051 Uiso calc R 1 . .
H H14B 1.0871 0.6346 0.7651 0.051 Uiso calc R 1 . .
H H14C 1.0435 0.67 0.7193 0.051 Uiso calc R 1 . .
C C15 0.8790(3) 0.6341(2) 0.71388(12) 0.0329(8) Uani d . 1 . .
H H15A 0.8839 0.6749 0.6964 0.049 Uiso calc R 1 . .
H H15B 0.8228 0.6339 0.7238 0.049 Uiso calc R 1 . .
H H15C 0.8834 0.5945 0.6953 0.049 Uiso calc R 1 . .
C C16 1.1281(2) 0.63833(16) 0.85743(10) 0.0178(6) Uani d . 1 . .
H H16 1.1564 0.6025 0.8452 0.021 Uiso calc R 1 . .
C C17 1.1776(2) 0.68846(16) 0.88122(10) 0.0190(6) Uani d . 1 . .
H H17 1.2392 0.6875 0.8845 0.023 Uiso calc R 1 . .
C C18 1.1371(2) 0.74022(15) 0.90030(10) 0.0177(6) Uani d . 1 . .
H H18 1.1711 0.774 0.9174 0.021 Uiso calc R 1 . .
C C19 1.0465(2) 0.74257(15) 0.89430(10) 0.0161(6) Uani d . 1 . .
C C20 0.9986(2) 0.79413(17) 0.91648(10) 0.0208(6) Uani d . 1 . .
C C21 0.9576(2) 0.7724(2) 0.95219(11) 0.0280(8) Uani d . 1 . .
C C22 0.9793(2) 0.7045(2) 0.97460(11) 0.0299(8) Uani d . 1 . .
H H22 0.9852 0.6716 0.9505 0.036 Uiso calc R 1 . .
C C23 0.9097(3) 0.6771(3) 0.99939(13) 0.0467(12) Uani d . 1 . .
H H23A 0.8537 0.6747 0.9788 0.07 Uiso calc R 1 . .
H H23B 0.9043 0.707 1.0244 0.07 Uiso calc R 1 . .
H H23C 0.9264 0.6321 1.0109 0.07 Uiso calc R 1 . .
C C25 0.9016(3) 0.8168(3) 0.96808(12) 0.0455(12) Uani d . 1 . .
H H25 0.8735 0.8028 0.9917 0.055 Uiso calc R 1 . .
C C27 0.8856(3) 0.8807(3) 0.95047(13) 0.0494(13) Uani d . 1 . .
C C28 0.9313(3) 0.9023(2) 0.91821(13) 0.0371(9) Uani d . 1 . .
H H28 0.9235 0.9471 0.9075 0.045 Uiso calc R 1 . .
C C29 0.9886(2) 0.86023(18) 0.90092(12) 0.0263(7) Uani d . 1 . .
C C30 1.0378(2) 0.88704(17) 0.86578(13) 0.0282(7) Uani d . 1 . .
H H30 1.0717 0.8493 0.8557 0.034 Uiso calc R 1 . .
C C31 1.1013(3) 0.9420(3) 0.8854(2) 0.0722(19) Uani d . 1 . .
H H31A 1.1352 0.9564 0.863 0.108 Uiso calc R 1 . .
H H31B 1.1407 0.9245 0.9117 0.108 Uiso calc R 1 . .
H H31C 1.0689 0.9803 0.8942 0.108 Uiso calc R 1 . .
C C32 0.9756(3) 0.9142(3) 0.82547(17) 0.0566(14) Uani d . 1 . .
H H32A 1.0089 0.9325 0.8038 0.085 Uiso calc R 1 . .
H H32B 0.9397 0.9498 0.8351 0.085 Uiso calc R 1 . .
H H32C 0.9379 0.8778 0.8115 0.085 Uiso calc R 1 . .
C C42 0.6725(2) 0.69437(19) 0.97016(12) 0.0302(8) Uani d . 1 . .
H H42A 0.6949 0.7234 0.9488 0.045 Uiso calc R 1 . .
H H42B 0.6996 0.7069 1.0007 0.045 Uiso calc R 1 . .
H H42C 0.6093 0.6998 0.9665 0.045 Uiso calc R 1 . .
C C44 0.71233(19) 0.60340(16) 0.92263(10) 0.0193(6) Uani d . 1 . .
C C46 0.7346(2) 0.49153(17) 0.89197(13) 0.0296(8) Uani d . 1 . .
H H46A 0.678 0.4747 0.8767 0.044 Uiso calc R 1 . .
H H46B 0.7714 0.4536 0.9042 0.044 Uiso calc R 1 . .
H H46C 0.7628 0.5162 0.8706 0.044 Uiso calc R 1 . .
C C47 0.7095(2) 0.5158(2) 0.97039(12) 0.0307(8) Uani d . 1 . .
C C48 0.6912(2) 0.5715(2) 0.99169(12) 0.0305(8) Uani d . 1 . .
C C49 0.6715(3) 0.5821(3) 1.03770(13) 0.0486(12) Uani d . 1 . .
H H49A 0.6138 0.6026 1.0354 0.073 Uiso calc R 1 . .
H H49B 0.7154 0.6119 1.0547 0.073 Uiso calc R 1 . .
H H49C 0.6723 0.5388 1.0531 0.073 Uiso calc R 1 . .
C C50 0.7176(3) 0.4439(2) 0.98524(16) 0.0471(11) Uani d . 1 . .
H H50M 0.678 0.4161 0.964 0.071 Uiso calc R 1 . .
H H50N 0.7024 0.44 1.015 0.071 Uiso calc R 1 . .
H H50O 0.7776 0.4287 0.9864 0.071 Uiso calc R 1 . .
C C56 0.8177(4) 0.9256(3) 0.96651(16) 0.075(2) Uani d . 1 . .
H H56 0.8096 0.9663 0.9469 0.09 Uiso calc R 1 . .
C C57 0.7292(4) 0.8915(4) 0.96298(17) 0.092(3) Uani d . 1 . .
H H57A 0.7124 0.8713 0.9333 0.137 Uiso calc R 1 . .
H H57B 0.6856 0.9249 0.9675 0.137 Uiso calc R 1 . .
H H57C 0.7327 0.8564 0.9859 0.137 Uiso calc R 1 . .
C C58 0.8535(5) 0.9494(4) 1.01502(18) 0.092(2) Uani d . 1 . .
H H58A 0.9074 0.9748 1.0156 0.137 Uiso calc R 1 . .
H H58B 0.8653 0.9103 1.0347 0.137 Uiso calc R 1 . .
H H58C 0.8103 0.9782 1.0254 0.137 Uiso calc R 1 . .
C C59 1.0674(3) 0.7079(3) 1.00616(13) 0.0425(10) Uani d . 1 . .
H H59A 1.1119 0.7232 0.9896 0.064 Uiso calc R 1 . .
H H59B 1.0829 0.6631 1.0186 0.064 Uiso calc R 1 . .
H H59C 1.0638 0.7394 1.0305 0.064 Uiso calc R 1 . .
C C63 0.46471(19) 0.70609(15) 0.78509(10) 0.0162(6) Uani d . 1 . .
C C64 0.39163(19) 0.70539(14) 0.80637(10) 0.0155(6) Uani d . 1 . .
C C65 0.3070(2) 0.70036(15) 0.78177(10) 0.0177(6) Uani d . 1 . .
H H65 0.2587 0.7002 0.7967 0.021 Uiso calc R 1 . .
C C66 0.2937(2) 0.69556(15) 0.73546(11) 0.0199(6) Uani d . 1 . .
H H66 0.2363 0.6938 0.7185 0.024 Uiso calc R 1 . .
C C68 0.3647(2) 0.69332(15) 0.71416(10) 0.0191(6) Uani d . 1 . .
H H68 0.3555 0.6884 0.6826 0.023 Uiso calc R 1 . .
C C69 0.4500(2) 0.69817(15) 0.73825(10) 0.0168(6) Uani d . 1 . .
C C70 0.5214(2) 0.69194(16) 0.71116(10) 0.0191(6) Uani d . 1 . .
C C71 0.5685(2) 0.63132(17) 0.71182(10) 0.0213(6) Uani d . 1 . .
C C72 0.6255(2) 0.62358(19) 0.68204(11) 0.0281(8) Uani d . 1 . .
H H72 0.6575 0.5829 0.6827 0.034 Uiso calc R 1 . .
C C73 0.6374(3) 0.6730(2) 0.65137(12) 0.0331(8) Uani d . 1 . .
C C74 0.6974(3) 0.6586(3) 0.61822(16) 0.0531(13) Uani d . 1 . .
H H74 0.7511 0.639 0.6367 0.064 Uiso calc R 1 . .
C C75 0.7281(3) 0.7174(3) 0.59615(14) 0.0557(14) Uani d . 1 . .
H H75A 0.7694 0.7028 0.5774 0.084 Uiso calc R 1 . .
H H75B 0.7569 0.7489 0.6189 0.084 Uiso calc R 1 . .
H H75C 0.6784 0.7396 0.5775 0.084 Uiso calc R 1 . .
C C76 0.6622(4) 0.6050(3) 0.58709(18) 0.0778(19) Uani d . 1 . .
H H76A 0.7035 0.5949 0.5673 0.117 Uiso calc R 1 . .
H H76B 0.6068 0.6196 0.5691 0.117 Uiso calc R 1 . .
H H76C 0.6527 0.5646 0.604 0.117 Uiso calc R 1 . .
C C77 0.5929(2) 0.7329(2) 0.65247(12) 0.0301(8) Uani d . 1 . .
H H77 0.6022 0.768 0.6327 0.036 Uiso calc R 1 . .
C C78 0.5349(2) 0.74346(17) 0.68164(11) 0.0219(6) Uani d . 1 . .
C C79 0.4910(2) 0.81159(17) 0.68166(11) 0.0255(7) Uani d . 1 . .
H H79 0.4562 0.8112 0.7062 0.031 Uiso calc R 1 . .
C C80 0.5584(3) 0.86825(19) 0.69201(14) 0.0376(9) Uani d . 1 . .
H H80A 0.5929 0.8706 0.6682 0.056 Uiso calc R 1 . .
H H80B 0.5969 0.8591 0.7206 0.056 Uiso calc R 1 . .
H H80C 0.5284 0.9111 0.6939 0.056 Uiso calc R 1 . .
C C81 0.4283(3) 0.8249(2) 0.63816(13) 0.0379(9) Uani d . 1 . .
H H81A 0.4609 0.8283 0.6136 0.057 Uiso calc R 1 . .
H H81B 0.3971 0.867 0.6406 0.057 Uiso calc R 1 . .
H H81C 0.3865 0.7879 0.6322 0.057 Uiso calc R 1 . .
C C83 0.5548(2) 0.57438(16) 0.74311(11) 0.0252(7) Uani d . 1 . .
H H83 0.5362 0.5948 0.7699 0.03 Uiso calc R 1 . .
C C84 0.6372(3) 0.5332(2) 0.75967(13) 0.0348(9) Uani d . 1 . .
H H84A 0.6528 0.5078 0.7346 0.052 Uiso calc R 1 . .
H H84B 0.6265 0.5019 0.783 0.052 Uiso calc R 1 . .
H H84C 0.685 0.5635 0.772 0.052 Uiso calc R 1 . .
C C85 0.4806(3) 0.52895(19) 0.72021(15) 0.0373(9) Uani d . 1 . .
H H85A 0.4288 0.5563 0.7096 0.056 Uiso calc R 1 . .
H H85B 0.4674 0.4954 0.7416 0.056 Uiso calc R 1 . .
H H85C 0.4983 0.5061 0.6947 0.056 Uiso calc R 1 . .
C C86 0.40229(18) 0.71042(15) 0.85670(10) 0.0157(6) Uani d . 1 . .
C C87 0.3918(2) 0.77277(15) 0.87699(10) 0.0169(6) Uani d . 1 . .
C C88 0.3955(2) 0.77540(16) 0.92309(10) 0.0192(6) Uani d . 1 . .
H H88 0.388 0.8174 0.9367 0.023 Uiso calc R 1 . .
C C89 0.4100(2) 0.71834(16) 0.94966(10) 0.0189(6) Uani d . 1 . .
C C90 0.42259(19) 0.65768(16) 0.92944(10) 0.0187(6) Uani d . 1 . .
H H90 0.4343 0.6187 0.9475 0.022 Uiso calc R 1 . .
C C91 0.41870(19) 0.65197(15) 0.88331(10) 0.0171(6) Uani d . 1 . .
C C92 0.4293(2) 0.58372(15) 0.86213(11) 0.0184(6) Uani d . 1 . .
H H92 0.4537 0.5916 0.8344 0.022 Uiso calc R 1 . .
C C93 0.4916(2) 0.53653(16) 0.89244(12) 0.0250(7) Uani d . 1 . .
H H93A 0.5034 0.4969 0.8753 0.037 Uiso calc R 1 . .
H H93B 0.4651 0.5224 0.9178 0.037 Uiso calc R 1 . .
H H93C 0.5463 0.5601 0.9036 0.037 Uiso calc R 1 . .
C C94 0.3405(2) 0.55004(17) 0.84832(12) 0.0267(7) Uani d . 1 . .
H H94A 0.3024 0.5791 0.8272 0.04 Uiso calc R 1 . .
H H94B 0.3143 0.5427 0.8749 0.04 Uiso calc R 1 . .
H H94C 0.3478 0.5068 0.8341 0.04 Uiso calc R 1 . .
C C95 0.4107(2) 0.72190(17) 0.99989(10) 0.0221(7) Uani d . 1 . .
H H95 0.4289 0.6768 1.0128 0.026 Uiso calc R 1 . .
C C96 0.4753(3) 0.7733(2) 1.02335(12) 0.0337(9) Uani d . 1 . .
H H96A 0.5339 0.7619 1.0186 0.051 Uiso calc R 1 . .
H H96B 0.4742 0.773 1.0555 0.051 Uiso calc R 1 . .
H H96C 0.4594 0.8181 1.0111 0.051 Uiso calc R 1 . .
C C97 0.3185(2) 0.73568(19) 1.00846(11) 0.0281(7) Uani d . 1 . .
H H97A 0.3003 0.7809 0.9979 0.042 Uiso calc R 1 . .
H H97B 0.3181 0.7324 1.0406 0.042 Uiso calc R 1 . .
H H97C 0.2781 0.7025 0.9923 0.042 Uiso calc R 1 . .
C C98 0.3764(2) 0.83724(16) 0.84965(11) 0.0218(6) Uani d . 1 . .
H H98 0.3891 0.8276 0.8192 0.026 Uiso calc R 1 . .
C C99 0.4363(3) 0.89452(18) 0.86992(13) 0.0350(9) Uani d . 1 . .
H H99A 0.4971 0.8798 0.8737 0.052 Uiso calc R 1 . .
H H99B 0.4227 0.9069 0.8991 0.052 Uiso calc R 1 . .
H H99C 0.4276 0.9335 0.8499 0.052 Uiso calc R 1 . .
C C100 0.2814(3) 0.8590(2) 0.84408(13) 0.0362(9) Uani d . 1 . .
H H10A 0.2728 0.9005 0.8265 0.054 Uiso calc R 1 . .
H H10B 0.2664 0.8668 0.8736 0.054 Uiso calc R 1 . .
H H10C 0.244 0.8235 0.8286 0.054 Uiso calc R 1 . .
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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C500 Pt1 Sn1 . . 114.47(9)
C500 Pt1 Sn3 . . 124.99(9)
Sn1 Pt1 Sn3 . . 111.438(8)
C500 Pt1 Pt2 . . 164.04(10)
Sn1 Pt1 Pt2 . . 56.063(6)
Sn3 Pt1 Pt2 . . 57.538(6)
C500 Pt1 H501 . . 90.1(15)
Sn1 Pt1 H501 . . 150.9(15)
Sn3 Pt1 H501 . . 59.7(16)
Pt2 Pt1 H501 . . 103.0(16)
C500 N1 C502 . . 111.6(3)
C500 N1 C501 . . 122.4(3)
C502 N1 C501 . . 126.0(3)
C44 Pt2 Sn1 . . 114.10(9)
C44 Pt2 Sn3 . . 127.54(9)
Sn1 Pt2 Sn3 . . 109.947(8)
C44 Pt2 Pt1 . . 164.55(9)
Sn1 Pt2 Pt1 . . 55.558(6)
Sn3 Pt2 Pt1 . . 56.490(6)
C44 Pt2 H500 . . 97.(2)
Sn1 Pt2 H500 . . 146.(2)
Sn3 Pt2 H500 . . 53.(2)
Pt1 Pt2 H500 . . 96.(2)
C500 N2 C503 . . 111.1(3)
C500 N2 C504 . . 123.5(3)
C503 N2 C504 . . 125.5(3)
C1 Sn1 Pt1 . . 139.91(7)
C1 Sn1 Pt2 . . 147.93(8)
Pt1 Sn1 Pt2 . . 68.379(6)
C63 Sn3 Pt1 . . 126.54(8)
C63 Sn3 Pt2 . . 124.68(8)
Pt1 Sn3 Pt2 . . 65.972(6)
C63 Sn3 H500 . . 92.0(14)
Pt1 Sn3 H500 . . 88.9(14)
Pt2 Sn3 H500 . . 33.2(14)
C2 C1 C19 . . 119.5(3)
C2 C1 Sn1 . . 125.1(2)
C19 C1 Sn1 . . 115.4(2)
C16 C2 C1 . . 119.1(3)
C16 C2 C3 . . 119.2(3)
C1 C2 C3 . . 121.1(3)
C9 C3 C4 . . 119.8(3)
C9 C3 C2 . . 117.8(3)
C4 C3 C2 . . 122.4(3)
N1 C500 N2 . . 104.0(3)
N1 C500 Pt1 . . 129.9(3)
N2 C500 Pt1 . . 125.9(2)
N1 C501 H50A . . 109.5
N1 C501 H50B . . 109.5
H50A C501 H50B . . 109.5
N1 C501 H50C . . 109.5
H50A C501 H50C . . 109.5
H50B C501 H50C . . 109.5
C503 C502 N1 . . 106.5(3)
C503 C502 C513 . . 131.7(4)
N1 C502 C513 . . 121.8(4)
C502 C503 N2 . . 106.8(3)
C502 C503 C514 . . 131.6(4)
N2 C503 C514 . . 121.5(4)
N2 C504 H50D . . 109.5
N2 C504 H50E . . 109.5
H50D C504 H50E . . 109.5
N2 C504 H50F . . 109.5
H50D C504 H50F . . 109.5
H50E C504 H50F . . 109.5
C506 C505 C507 . . 111.6(4)
C506 C505 C6 . . 111.2(4)
C507 C505 C6 . . 113.1(3)
C506 C505 H505 . . 106.8
C507 C505 H505 . . 106.8
C6 C505 H505 . . 106.8
C505 C506 H50G . . 109.5
C505 C506 H50H . . 109.5
H50G C506 H50H . . 109.5
C505 C506 H50I . . 109.5
H50G C506 H50I . . 109.5
H50H C506 H50I . . 109.5
C505 C507 H50J . . 109.5
C505 C507 H50K . . 109.5
H50J C507 H50K . . 109.5
C505 C507 H50L . . 109.5
H50J C507 H50L . . 109.5
H50K C507 H50L . . 109.5
C44 N508 C48 . . 111.6(3)
C44 N508 C42 . . 122.7(3)
C48 N508 C42 . . 125.7(3)
C44 N509 C47 . . 111.6(3)
C44 N509 C46 . . 122.4(3)
C47 N509 C46 . . 125.6(3)
C502 C513 H51A . . 109.5
C502 C513 H51B . . 109.5
H51A C513 H51B . . 109.5
C502 C513 H51C . . 109.5
H51A C513 H51C . . 109.5
H51B C513 H51C . . 109.5
C503 C514 H51D . . 109.5
C503 C514 H51E . . 109.5
H51D C514 H51E . . 109.5
C503 C514 H51F . . 109.5
H51D C514 H51F . . 109.5
H51E C514 H51F . . 109.5
C602 C601 C600 . . 113.2(7)
C602 C601 H60D . . 108.9
C600 C601 H60D . . 108.9
C602 C601 H60E . . 108.9
C600 C601 H60E . . 108.9
H60D C601 H60E . . 107.7
C603 C602 C601 . . 117.7(9)
C603 C602 H60Z . . 107.9
C601 C602 H60Z . . 107.9
C603 C602 H60X . . 107.9
C601 C602 H60X . . 107.9
H60Z C602 H60X . . 107.2
C602 C603 C604 . . 121.7(8)
C602 C603 H60F . . 106.9
C604 C603 H60F . . 106.9
C602 C603 H60G . . 106.9
C604 C603 H60G . . 106.9
H60F C603 H60G . . 106.7
C700 C701 C702 . . 123.6(9)
C700 C701 H70D . . 106.4
C702 C701 H70D . . 106.4
C700 C701 H70E . . 106.4
C702 C701 H70E . . 106.4
H70D C701 H70E . . 106.5
C703 C702 C701 . . 120.4(8)
C703 C702 H70F . . 107.2
C701 C702 H70F . . 107.2
C703 C702 H70G . . 107.2
C701 C702 H70G . . 107.2
H70F C702 H70G . . 106.9
C702 C703 C704 . . 116.2(9)
C702 C703 H70H . . 108.2
C704 C703 H70H . . 108.2
C702 C703 H70I . . 108.2
C704 C703 H70I . . 108.2
H70H C703 H70I . . 107.4
C5 C4 C3 . . 118.2(3)
C5 C4 C13 . . 121.2(3)
C3 C4 C13 . . 120.6(3)
C6 C5 C4 . . 122.9(3)
C6 C5 H5 . . 118.5
C4 C5 H5 . . 118.5
C5 C6 C8 . . 117.7(3)
C5 C6 C505 . . 120.7(4)
C8 C6 C505 . . 121.6(4)
C6 C8 C9 . . 121.9(3)
C6 C8 H8 . . 119.1
C9 C8 H8 . . 119.1
C8 C9 C3 . . 119.4(3)
C8 C9 C10 . . 119.7(3)
C3 C9 C10 . . 120.9(3)
C9 C10 C12 . . 111.7(3)
C9 C10 C11 . . 110.7(3)
C12 C10 C11 . . 112.0(3)
C9 C10 H10 . . 107.4
C12 C10 H10 . . 107.4
C11 C10 H10 . . 107.4
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
C10 C12 H12A . . 109.5
C10 C12 H12B . . 109.5
H12A C12 H12B . . 109.5
C10 C12 H12C . . 109.5
H12A C12 H12C . . 109.5
H12B C12 H12C . . 109.5
C4 C13 C14 . . 110.8(3)
C4 C13 C15 . . 113.6(3)
C14 C13 C15 . . 109.4(3)
C4 C13 H13 . . 107.6
C14 C13 H13 . . 107.6
C15 C13 H13 . . 107.6
C13 C14 H14A . . 109.5
C13 C14 H14B . . 109.5
H14A C14 H14B . . 109.5
C13 C14 H14C . . 109.5
H14A C14 H14C . . 109.5
H14B C14 H14C . . 109.5
C13 C15 H15A . . 109.5
C13 C15 H15B . . 109.5
H15A C15 H15B . . 109.5
C13 C15 H15C . . 109.5
H15A C15 H15C . . 109.5
H15B C15 H15C . . 109.5
C17 C16 C2 . . 121.3(3)
C17 C16 H16 . . 119.4
C2 C16 H16 . . 119.4
C16 C17 C18 . . 120.0(3)
C16 C17 H17 . . 120.0
C18 C17 H17 . . 120.0
C17 C18 C19 . . 119.9(3)
C17 C18 H18 . . 120.0
C19 C18 H18 . . 120.0
C18 C19 C1 . . 120.2(3)
C18 C19 C20 . . 122.8(3)
C1 C19 C20 . . 116.9(3)
C29 C20 C21 . . 120.4(3)
C29 C20 C19 . . 121.7(3)
C21 C20 C19 . . 117.7(3)
C25 C21 C20 . . 118.1(4)
C25 C21 C22 . . 120.7(3)
C20 C21 C22 . . 121.1(3)
C21 C22 C59 . . 110.1(3)
C21 C22 C23 . . 114.5(3)
C59 C22 C23 . . 110.2(3)
C21 C22 H22 . . 107.2
C59 C22 H22 . . 107.2
C23 C22 H22 . . 107.2
C22 C23 H23A . . 109.5
C22 C23 H23B . . 109.5
H23A C23 H23B . . 109.5
C22 C23 H23C . . 109.5
H23A C23 H23C . . 109.5
H23B C23 H23C . . 109.5
C27 C25 C21 . . 122.0(4)
C27 C25 H25 . . 119.0
C21 C25 H25 . . 119.0
C28 C27 C25 . . 118.6(4)
C28 C27 C56 . . 121.5(5)
C25 C27 C56 . . 119.9(5)
C27 C28 C29 . . 122.0(4)
C27 C28 H28 . . 119.0
C29 C28 H28 . . 119.0
C28 C29 C20 . . 118.5(4)
C28 C29 C30 . . 119.6(3)
C20 C29 C30 . . 121.9(3)
C32 C30 C29 . . 111.1(3)
C32 C30 C31 . . 109.7(4)
C29 C30 C31 . . 110.7(4)
C32 C30 H30 . . 108.4
C29 C30 H30 . . 108.4
C31 C30 H30 . . 108.4
C30 C31 H31A . . 109.5
C30 C31 H31B . . 109.5
H31A C31 H31B . . 109.5
C30 C31 H31C . . 109.5
H31A C31 H31C . . 109.5
H31B C31 H31C . . 109.5
C30 C32 H32A . . 109.5
C30 C32 H32B . . 109.5
H32A C32 H32B . . 109.5
C30 C32 H32C . . 109.5
H32A C32 H32C . . 109.5
H32B C32 H32C . . 109.5
N508 C42 H42A . . 109.5
N508 C42 H42B . . 109.5
H42A C42 H42B . . 109.5
N508 C42 H42C . . 109.5
H42A C42 H42C . . 109.5
H42B C42 H42C . . 109.5
N508 C44 N509 . . 103.7(3)
N508 C44 Pt2 . . 126.1(2)
N509 C44 Pt2 . . 129.7(2)
N509 C46 H46A . . 109.5
N509 C46 H46B . . 109.5
H46A C46 H46B . . 109.5
N509 C46 H46C . . 109.5
H46A C46 H46C . . 109.5
H46B C46 H46C . . 109.5
C48 C47 N509 . . 106.6(3)
C48 C47 C50 . . 131.1(4)
N509 C47 C50 . . 122.3(4)
C47 C48 N508 . . 106.5(3)
C47 C48 C49 . . 131.7(4)
N508 C48 C49 . . 121.8(4)
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
C47 C50 H50M . . 109.5
C47 C50 H50N . . 109.5
H50M C50 H50N . . 109.5
C47 C50 H50O . . 109.5
H50M C50 H50O . . 109.5
H50N C50 H50O . . 109.5
C57 C56 C27 . . 112.9(5)
C57 C56 C58 . . 111.5(5)
C27 C56 C58 . . 109.2(4)
C57 C56 H56 . . 107.6
C27 C56 H56 . . 107.6
C58 C56 H56 . . 107.6
C56 C57 H57A . . 109.5
C56 C57 H57B . . 109.5
H57A C57 H57B . . 109.5
C56 C57 H57C . . 109.5
H57A C57 H57C . . 109.5
H57B C57 H57C . . 109.5
C56 C58 H58A . . 109.5
C56 C58 H58B . . 109.5
H58A C58 H58B . . 109.5
C56 C58 H58C . . 109.5
H58A C58 H58C . . 109.5
H58B C58 H58C . . 109.5
C22 C59 H59A . . 109.5
C22 C59 H59B . . 109.5
H59A C59 H59B . . 109.5
C22 C59 H59C . . 109.5
H59A C59 H59C . . 109.5
H59B C59 H59C . . 109.5
C69 C63 C64 . . 117.8(3)
C69 C63 Sn3 . . 127.9(2)
C64 C63 Sn3 . . 113.2(2)
C65 C64 C63 . . 121.4(3)
C65 C64 C86 . . 117.7(3)
C63 C64 C86 . . 120.9(3)
C66 C65 C64 . . 119.9(3)
C66 C65 H65 . . 120.0
C64 C65 H65 . . 120.0
C68 C66 C65 . . 119.5(3)
C68 C66 H66 . . 120.3
C65 C66 H66 . . 120.3
C66 C68 C69 . . 121.4(3)
C66 C68 H68 . . 119.3
C69 C68 H68 . . 119.3
C68 C69 C63 . . 119.9(3)
C68 C69 C70 . . 115.9(3)
C63 C69 C70 . . 124.1(3)
C78 C70 C71 . . 119.6(3)
C78 C70 C69 . . 120.1(3)
C71 C70 C69 . . 119.9(3)
C72 C71 C70 . . 118.7(3)
C72 C71 C83 . . 120.3(3)
C70 C71 C83 . . 120.9(3)
C71 C72 C73 . . 122.6(3)
C71 C72 H72 . . 118.7
C73 C72 H72 . . 118.7
C77 C73 C72 . . 117.6(3)
C77 C73 C74 . . 123.4(4)
C72 C73 C74 . . 118.9(4)
C76 C74 C75 . . 113.5(4)
C76 C74 C73 . . 111.1(4)
C75 C74 C73 . . 116.3(4)
C76 C74 H74 . . 104.9
C75 C74 H74 . . 104.9
C73 C74 H74 . . 104.9
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
C74 C76 H76A . . 109.5
C74 C76 H76B . . 109.5
H76A C76 H76B . . 109.5
C74 C76 H76C . . 109.5
H76A C76 H76C . . 109.5
H76B C76 H76C . . 109.5
C73 C77 C78 . . 122.2(3)
C73 C77 H77 . . 118.9
C78 C77 H77 . . 118.9
C77 C78 C70 . . 119.2(3)
C77 C78 C79 . . 118.7(3)
C70 C78 C79 . . 122.1(3)
C78 C79 C81 . . 112.0(3)
C78 C79 C80 . . 111.2(3)
C81 C79 C80 . . 111.1(3)
C78 C79 H79 . . 107.4
C81 C79 H79 . . 107.4
C80 C79 H79 . . 107.4
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
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
C71 C83 C84 . . 113.5(3)
C71 C83 C85 . . 109.7(3)
C84 C83 C85 . . 110.8(3)
C71 C83 H83 . . 107.5
C84 C83 H83 . . 107.5
C85 C83 H83 . . 107.5
C83 C84 H84A . . 109.5
C83 C84 H84B . . 109.5
H84A C84 H84B . . 109.5
C83 C84 H84C . . 109.5
H84A C84 H84C . . 109.5
H84B C84 H84C . . 109.5
C83 C85 H85A . . 109.5
C83 C85 H85B . . 109.5
H85A C85 H85B . . 109.5
C83 C85 H85C . . 109.5
H85A C85 H85C . . 109.5
H85B C85 H85C . . 109.5
C87 C86 C91 . . 119.9(3)
C87 C86 C64 . . 120.1(3)
C91 C86 C64 . . 120.0(3)
C88 C87 C86 . . 119.1(3)
C88 C87 C98 . . 119.4(3)
C86 C87 C98 . . 121.5(3)
C89 C88 C87 . . 121.8(3)
C89 C88 H88 . . 119.1
C87 C88 H88 . . 119.1
C90 C89 C88 . . 118.4(3)
C90 C89 C95 . . 120.6(3)
C88 C89 C95 . . 121.0(3)
C89 C90 C91 . . 122.2(3)
C89 C90 H90 . . 118.9
C91 C90 H90 . . 118.9
C90 C91 C86 . . 118.5(3)
C90 C91 C92 . . 120.5(3)
C86 C91 C92 . . 120.9(3)
C91 C92 C94 . . 110.1(3)
C91 C92 C93 . . 113.4(3)
C94 C92 C93 . . 110.0(3)
C91 C92 H92 . . 107.7
C94 C92 H92 . . 107.7
C93 C92 H92 . . 107.7
C92 C93 H93A . . 109.5
C92 C93 H93B . . 109.5
H93A C93 H93B . . 109.5
C92 C93 H93C . . 109.5
H93A C93 H93C . . 109.5
H93B C93 H93C . . 109.5
C92 C94 H94A . . 109.5
C92 C94 H94B . . 109.5
H94A C94 H94B . . 109.5
C92 C94 H94C . . 109.5
H94A C94 H94C . . 109.5
H94B C94 H94C . . 109.5
C96 C95 C89 . . 112.6(3)
C96 C95 C97 . . 111.3(3)
C89 C95 C97 . . 110.0(3)
C96 C95 H95 . . 107.6
C89 C95 H95 . . 107.6
C97 C95 H95 . . 107.6
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
C95 C97 H97A . . 109.5
C95 C97 H97B . . 109.5
H97A C97 H97B . . 109.5
C95 C97 H97C . . 109.5
H97A C97 H97C . . 109.5
H97B C97 H97C . . 109.5
C87 C98 C100 . . 110.7(3)
C87 C98 C99 . . 112.5(3)
C100 C98 C99 . . 110.2(3)
C87 C98 H98 . . 107.8
C100 C98 H98 . . 107.8
C99 C98 H98 . . 107.8
C98 C99 H99A . . 109.5
C98 C99 H99B . . 109.5
H99A C99 H99B . . 109.5
C98 C99 H99C . . 109.5
H99A C99 H99C . . 109.5
H99B C99 H99C . . 109.5
C98 C100 H10A . . 109.5
C98 C100 H10B . . 109.5
H10A C100 H10B . . 109.5
C98 C100 H10C . . 109.5
H10A C100 H10C . . 109.5
H10B C100 H10C . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Pt1 C500 . 2.005(3)
Pt1 Sn1 . 2.5083(2)
Pt1 Sn3 . 2.5812(2)
Pt1 Pt2 . 2.82749(16)
Pt1 H501 . 1.52(4)
N1 C500 . 1.351(4)
N1 C502 . 1.396(4)
N1 C501 . 1.447(5)
Pt2 C44 . 2.004(3)
Pt2 Sn1 . 2.5234(2)
Pt2 Sn3 . 2.6120(2)
Pt2 H500 . 1.43(5)
N2 C500 . 1.357(4)
N2 C503 . 1.398(4)
N2 C504 . 1.457(5)
Sn1 C1 . 2.171(3)
Sn3 C63 . 2.218(3)
Sn3 H500 . 2.10(5)
C1 C2 . 1.400(4)
C1 C19 . 1.413(4)
C2 C16 . 1.402(4)
C2 C3 . 1.502(4)
C3 C9 . 1.407(4)
C3 C4 . 1.412(4)
C501 H50A . 0.98
C501 H50B . 0.98
C501 H50C . 0.98
C502 C503 . 1.331(6)
C502 C513 . 1.486(5)
C503 C514 . 1.500(5)
C504 H50D . 0.98
C504 H50E . 0.98
C504 H50F . 0.98
C505 C506 . 1.506(7)
C505 C507 . 1.515(6)
C505 C6 . 1.527(5)
C505 H505 . 1.0
C506 H50G . 0.98
C506 H50H . 0.98
C506 H50I . 0.98
C507 H50J . 0.98
C507 H50K . 0.98
C507 H50L . 0.98
N508 C44 . 1.355(4)
N508 C48 . 1.394(4)
N508 C42 . 1.454(5)
N509 C44 . 1.356(4)
N509 C47 . 1.393(4)
N509 C46 . 1.454(5)
C513 H51A . 0.98
C513 H51B . 0.98
C513 H51C . 0.98
C514 H51D . 0.98
C514 H51E . 0.98
C514 H51F . 0.98
C600 C601 . 1.562(11)
C600 H60A . 0.98
C600 H60B . 0.98
C600 H60C . 0.98
C601 C602 . 1.450(10)
C601 H60D . 0.99
C601 H60E . 0.99
C602 C603 . 1.392(12)
C602 H60Z . 0.99
C602 H60X . 0.99
C603 C604 . 1.522(12)
C603 H60F . 0.99
C603 H60G . 0.99
C604 H60H . 0.98
C604 H60I . 0.98
C604 H60J . 0.98
C700 C701 . 1.534(11)
C700 H70A . 0.98
C700 H70B . 0.98
C700 H70C . 0.98
C701 C702 . 1.552(12)
C701 H70D . 0.99
C701 H70E . 0.99
C702 C703 . 1.425(10)
C702 H70F . 0.99
C702 H70G . 0.99
C703 C704 . 1.566(13)
C703 H70H . 0.99
C703 H70I . 0.99
C704 H70J . 0.98
C704 H70K . 0.98
C704 H70L . 0.98
C4 C5 . 1.395(4)
C4 C13 . 1.519(5)
C5 C6 . 1.386(5)
C5 H5 . 0.95
C6 C8 . 1.392(5)
C8 C9 . 1.391(5)
C8 H8 . 0.95
C9 C10 . 1.522(5)
C10 C12 . 1.525(5)
C10 C11 . 1.537(5)
C10 H10 . 1.0
C11 H11A . 0.98
C11 H11B . 0.98
C11 H11C . 0.98
C12 H12A . 0.98
C12 H12B . 0.98
C12 H12C . 0.98
C13 C14 . 1.528(5)
C13 C15 . 1.527(5)
C13 H13 . 1.0
C14 H14A . 0.98
C14 H14B . 0.98
C14 H14C . 0.98
C15 H15A . 0.98
C15 H15B . 0.98
C15 H15C . 0.98
C16 C17 . 1.383(4)
C16 H16 . 0.95
C17 C18 . 1.390(4)
C17 H17 . 0.95
C18 C19 . 1.396(4)
C18 H18 . 0.95
C19 C20 . 1.501(4)
C20 C29 . 1.397(5)
C20 C21 . 1.424(5)
C21 C25 . 1.390(5)
C21 C22 . 1.524(5)
C22 C59 . 1.529(5)
C22 C23 . 1.533(5)
C22 H22 . 1.0
C23 H23A . 0.98
C23 H23B . 0.98
C23 H23C . 0.98
C25 C27 . 1.386(7)
C25 H25 . 0.95
C27 C28 . 1.382(6)
C27 C56 . 1.533(6)
C28 C29 . 1.397(5)
C28 H28 . 0.95
C29 C30 . 1.522(5)
C30 C32 . 1.518(6)
C30 C31 . 1.523(6)
C30 H30 . 1.0
C31 H31A . 0.98
C31 H31B . 0.98
C31 H31C . 0.98
C32 H32A . 0.98
C32 H32B . 0.98
C32 H32C . 0.98
C42 H42A . 0.98
C42 H42B . 0.98
C42 H42C . 0.98
C46 H46A . 0.98
C46 H46B . 0.98
C46 H46C . 0.98
C47 C48 . 1.340(6)
C47 C50 . 1.499(5)
C48 C49 . 1.501(5)
C49 H49A . 0.98
C49 H49B . 0.98
C49 H49C . 0.98
C50 H50M . 0.98
C50 H50N . 0.98
C50 H50O . 0.98
C56 C57 . 1.527(10)
C56 C58 . 1.553(7)
C56 H56 . 1.0
C57 H57A . 0.98
C57 H57B . 0.98
C57 H57C . 0.98
C58 H58A . 0.98
C58 H58B . 0.98
C58 H58C . 0.98
C59 H59A . 0.98
C59 H59B . 0.98
C59 H59C . 0.98
C63 C69 . 1.409(4)
C63 C64 . 1.412(4)
C64 C65 . 1.400(4)
C64 C86 . 1.512(4)
C65 C66 . 1.388(4)
C65 H65 . 0.95
C66 C68 . 1.384(4)
C66 H66 . 0.95
C68 C69 . 1.403(4)
C68 H68 . 0.95
C69 C70 . 1.507(4)
C70 C78 . 1.404(4)
C70 C71 . 1.411(4)
C71 C72 . 1.389(4)
C71 C83 . 1.519(5)
C72 C73 . 1.392(5)
C72 H72 . 0.95
C73 C77 . 1.383(5)
C73 C74 . 1.524(5)
C74 C76 . 1.465(8)
C74 C75 . 1.472(7)
C74 H74 . 1.0
C75 H75A . 0.98
C75 H75B . 0.98
C75 H75C . 0.98
C76 H76A . 0.98
C76 H76B . 0.98
C76 H76C . 0.98
C77 C78 . 1.395(5)
C77 H77 . 0.95
C78 C79 . 1.520(5)
C79 C81 . 1.519(5)
C79 C80 . 1.536(5)
C79 H79 . 1.0
C80 H80A . 0.98
C80 H80B . 0.98
C80 H80C . 0.98
C81 H81A . 0.98
C81 H81B . 0.98
C81 H81C . 0.98
C83 C84 . 1.532(5)
C83 C85 . 1.534(5)
C83 H83 . 1.0
C84 H84A . 0.98
C84 H84B . 0.98
C84 H84C . 0.98
C85 H85A . 0.98
C85 H85B . 0.98
C85 H85C . 0.98
C86 C87 . 1.409(4)
C86 C91 . 1.413(4)
C87 C88 . 1.393(4)
C87 C98 . 1.524(4)
C88 C89 . 1.388(4)
C88 H88 . 0.95
C89 C90 . 1.385(4)
C89 C95 . 1.527(4)
C90 C91 . 1.397(4)
C90 H90 . 0.95
C91 C92 . 1.525(4)
C92 C94 . 1.530(4)
C92 C93 . 1.534(4)
C92 H92 . 1.0
C93 H93A . 0.98
C93 H93B . 0.98
C93 H93C . 0.98
C94 H94A . 0.98
C94 H94B . 0.98
C94 H94C . 0.98
C95 C96 . 1.521(5)
C95 C97 . 1.536(5)
C95 H95 . 1.0
C96 H96A . 0.98
C96 H96B . 0.98
C96 H96C . 0.98
C97 H97A . 0.98
C97 H97B . 0.98
C97 H97C . 0.98
C98 C100 . 1.525(5)
C98 C99 . 1.532(5)
C98 H98 . 1.0
C99 H99A . 0.98
C99 H99B . 0.98
C99 H99C . 0.98
C100 H10A . 0.98
C100 H10B . 0.98
C100 H10C . 0.98
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
C500 Pt1 Pt2 C44 . . . . -6.0(5)
Sn1 Pt1 Pt2 C44 . . . . 51.5(3)
Sn3 Pt1 Pt2 C44 . . . . -110.3(3)
C500 Pt1 Pt2 Sn1 . . . . -57.5(3)
Sn3 Pt1 Pt2 Sn1 . . . . -161.840(9)
C500 Pt1 Pt2 Sn3 . . . . 104.3(3)
Sn1 Pt1 Pt2 Sn3 . . . . 161.841(9)
C500 Pt1 Sn1 C1 . . . . -33.93(16)
Sn3 Pt1 Sn1 C1 . . . . 177.25(12)
Pt2 Pt1 Sn1 C1 . . . . 160.84(12)
C500 Pt1 Sn1 Pt2 . . . . 165.24(11)
Sn3 Pt1 Sn1 Pt2 . . . . 16.410(8)
C44 Pt2 Sn1 C1 . . . . 36.66(17)
Sn3 Pt2 Sn1 C1 . . . . -172.59(14)
Pt1 Pt2 Sn1 C1 . . . . -156.54(14)
C44 Pt2 Sn1 Pt1 . . . . -166.80(10)
Sn3 Pt2 Sn1 Pt1 . . . . -16.048(8)
C500 Pt1 Sn3 C63 . . . . 82.56(15)
Sn1 Pt1 Sn3 C63 . . . . -132.55(9)
Pt2 Pt1 Sn3 C63 . . . . -116.42(9)
C500 Pt1 Sn3 Pt2 . . . . -161.02(12)
Sn1 Pt1 Sn3 Pt2 . . . . -16.128(8)
C44 Pt2 Sn3 C63 . . . . -79.40(15)
Sn1 Pt2 Sn3 C63 . . . . 134.83(9)
Pt1 Pt2 Sn3 C63 . . . . 118.96(9)
C44 Pt2 Sn3 Pt1 . . . . 161.64(12)
Sn1 Pt2 Sn3 Pt1 . . . . 15.869(8)
Pt1 Sn1 C1 C2 . . . . -89.4(3)
Pt2 Sn1 C1 C2 . . . . 55.5(3)
Pt1 Sn1 C1 C19 . . . . 90.5(2)
Pt2 Sn1 C1 C19 . . . . -124.56(19)
C19 C1 C2 C16 . . . . -3.2(4)
Sn1 C1 C2 C16 . . . . 176.7(2)
C19 C1 C2 C3 . . . . 167.4(3)
Sn1 C1 C2 C3 . . . . -12.7(4)
C16 C2 C3 C9 . . . . 78.1(4)
C1 C2 C3 C9 . . . . -92.5(4)
C16 C2 C3 C4 . . . . -101.4(4)
C1 C2 C3 C4 . . . . 88.1(4)
C502 N1 C500 N2 . . . . 0.0(4)
C501 N1 C500 N2 . . . . -179.8(3)
C502 N1 C500 Pt1 . . . . 175.7(3)
C501 N1 C500 Pt1 . . . . -4.2(5)
C503 N2 C500 N1 . . . . 1.0(4)
C504 N2 C500 N1 . . . . -179.3(3)
C503 N2 C500 Pt1 . . . . -174.9(2)
C504 N2 C500 Pt1 . . . . 4.8(5)
Sn1 Pt1 C500 N1 . . . . 88.0(3)
Sn3 Pt1 C500 N1 . . . . -128.0(3)
Pt2 Pt1 C500 N1 . . . . 138.3(3)
Sn1 Pt1 C500 N2 . . . . -97.2(3)
Sn3 Pt1 C500 N2 . . . . 46.8(3)
Pt2 Pt1 C500 N2 . . . . -46.9(5)
C500 N1 C502 C503 . . . . -1.0(4)
C501 N1 C502 C503 . . . . 178.8(4)
C500 N1 C502 C513 . . . . 177.6(3)
C501 N1 C502 C513 . . . . -2.5(6)
N1 C502 C503 N2 . . . . 1.6(4)
C513 C502 C503 N2 . . . . -176.9(4)
N1 C502 C503 C514 . . . . 179.0(4)
C513 C502 C503 C514 . . . . 0.5(8)
C500 N2 C503 C502 . . . . -1.7(4)
C504 N2 C503 C502 . . . . 178.6(3)
C500 N2 C503 C514 . . . . -179.4(3)
C504 N2 C503 C514 . . . . 0.9(6)
C600 C601 C602 C603 . . . . -167.0(8)
C601 C602 C603 C604 . . . . 62.6(17)
C700 C701 C702 C703 . . . . -169.4(9)
C701 C702 C703 C704 . . . . -157.7(9)
C9 C3 C4 C5 . . . . -0.7(5)
C2 C3 C4 C5 . . . . 178.7(3)
C9 C3 C4 C13 . . . . -178.1(3)
C2 C3 C4 C13 . . . . 1.3(4)
C3 C4 C5 C6 . . . . 0.0(5)
C13 C4 C5 C6 . . . . 177.4(3)
C4 C5 C6 C8 . . . . 0.5(5)
C4 C5 C6 C505 . . . . -179.4(3)
C506 C505 C6 C5 . . . . 107.5(5)
C507 C505 C6 C5 . . . . -126.0(4)
C506 C505 C6 C8 . . . . -72.5(6)
C507 C505 C6 C8 . . . . 54.0(5)
C5 C6 C8 C9 . . . . -0.3(5)
C505 C6 C8 C9 . . . . 179.6(3)
C6 C8 C9 C3 . . . . -0.4(5)
C6 C8 C9 C10 . . . . 178.2(3)
C4 C3 C9 C8 . . . . 0.9(5)
C2 C3 C9 C8 . . . . -178.5(3)
C4 C3 C9 C10 . . . . -177.6(3)
C2 C3 C9 C10 . . . . 2.9(4)
C8 C9 C10 C12 . . . . 65.7(4)
C3 C9 C10 C12 . . . . -115.8(4)
C8 C9 C10 C11 . . . . -59.8(4)
C3 C9 C10 C11 . . . . 118.7(4)
C5 C4 C13 C14 . . . . -98.3(4)
C3 C4 C13 C14 . . . . 79.1(4)
C5 C4 C13 C15 . . . . 25.3(4)
C3 C4 C13 C15 . . . . -157.4(3)
C1 C2 C16 C17 . . . . 0.8(4)
C3 C2 C16 C17 . . . . -170.0(3)
C2 C16 C17 C18 . . . . 1.8(5)
C16 C17 C18 C19 . . . . -1.9(5)
C17 C18 C19 C1 . . . . -0.6(5)
C17 C18 C19 C20 . . . . 175.7(3)
C2 C1 C19 C18 . . . . 3.1(4)
Sn1 C1 C19 C18 . . . . -176.8(2)
C2 C1 C19 C20 . . . . -173.3(3)
Sn1 C1 C19 C20 . . . . 6.7(3)
C18 C19 C20 C29 . . . . 77.0(4)
C1 C19 C20 C29 . . . . -106.7(4)
C18 C19 C20 C21 . . . . -107.6(4)
C1 C19 C20 C21 . . . . 68.7(4)
C29 C20 C21 C25 . . . . 5.8(5)
C19 C20 C21 C25 . . . . -169.7(3)
C29 C20 C21 C22 . . . . -170.0(3)
C19 C20 C21 C22 . . . . 14.5(5)
C25 C21 C22 C59 . . . . -99.3(4)
C20 C21 C22 C59 . . . . 76.3(4)
C25 C21 C22 C23 . . . . 25.5(5)
C20 C21 C22 C23 . . . . -158.8(3)
C20 C21 C25 C27 . . . . -0.5(6)
C22 C21 C25 C27 . . . . 175.2(4)
C21 C25 C27 C28 . . . . -4.3(7)
C21 C25 C27 C56 . . . . 175.0(4)
C25 C27 C28 C29 . . . . 4.2(7)
C56 C27 C28 C29 . . . . -175.2(4)
C27 C28 C29 C20 . . . . 0.9(6)
C27 C28 C29 C30 . . . . -179.4(4)
C21 C20 C29 C28 . . . . -5.9(5)
C19 C20 C29 C28 . . . . 169.4(3)
C21 C20 C29 C30 . . . . 174.4(3)
C19 C20 C29 C30 . . . . -10.3(5)
C28 C29 C30 C32 . . . . -56.5(5)
C20 C29 C30 C32 . . . . 123.2(4)
C28 C29 C30 C31 . . . . 65.7(5)
C20 C29 C30 C31 . . . . -114.7(4)
C48 N508 C44 N509 . . . . 0.3(4)
C42 N508 C44 N509 . . . . -176.8(3)
C48 N508 C44 Pt2 . . . . 173.0(2)
C42 N508 C44 Pt2 . . . . -4.1(4)
C47 N509 C44 N508 . . . . -0.2(4)
C46 N509 C44 N508 . . . . 173.3(3)
C47 N509 C44 Pt2 . . . . -172.6(2)
C46 N509 C44 Pt2 . . . . 0.9(5)
Sn1 Pt2 C44 N508 . . . . 96.2(3)
Sn3 Pt2 C44 N508 . . . . -48.4(3)
Pt1 Pt2 C44 N508 . . . . 51.2(5)
Sn1 Pt2 C44 N509 . . . . -93.0(3)
Sn3 Pt2 C44 N509 . . . . 122.4(3)
Pt1 Pt2 C44 N509 . . . . -137.9(3)
C44 N509 C47 C48 . . . . 0.1(4)
C46 N509 C47 C48 . . . . -173.2(3)
C44 N509 C47 C50 . . . . -179.4(3)
C46 N509 C47 C50 . . . . 7.4(5)
N509 C47 C48 N508 . . . . 0.1(4)
C50 C47 C48 N508 . . . . 179.5(4)
N509 C47 C48 C49 . . . . -179.9(4)
C50 C47 C48 C49 . . . . -0.5(7)
C44 N508 C48 C47 . . . . -0.2(4)
C42 N508 C48 C47 . . . . 176.8(3)
C44 N508 C48 C49 . . . . 179.8(3)
C42 N508 C48 C49 . . . . -3.2(5)
C28 C27 C56 C57 . . . . 126.1(5)
C25 C27 C56 C57 . . . . -53.2(6)
C28 C27 C56 C58 . . . . -109.1(6)
C25 C27 C56 C58 . . . . 71.5(7)
Pt1 Sn3 C63 C69 . . . . -6.0(3)
Pt2 Sn3 C63 C69 . . . . -90.1(3)
Pt1 Sn3 C63 C64 . . . . -173.36(17)
Pt2 Sn3 C63 C64 . . . . 102.6(2)
C69 C63 C64 C65 . . . . -3.1(4)
Sn3 C63 C64 C65 . . . . 165.6(2)
C69 C63 C64 C86 . . . . 177.2(3)
Sn3 C63 C64 C86 . . . . -14.1(3)
C63 C64 C65 C66 . . . . 0.4(5)
C86 C64 C65 C66 . . . . -179.9(3)
C64 C65 C66 C68 . . . . 2.3(5)
C65 C66 C68 C69 . . . . -2.3(5)
C66 C68 C69 C63 . . . . -0.6(5)
C66 C68 C69 C70 . . . . 177.4(3)
C64 C63 C69 C68 . . . . 3.2(4)
Sn3 C63 C69 C68 . . . . -163.7(2)
C64 C63 C69 C70 . . . . -174.6(3)
Sn3 C63 C69 C70 . . . . 18.5(4)
C68 C69 C70 C78 . . . . 70.2(4)
C63 C69 C70 C78 . . . . -111.9(4)
C68 C69 C70 C71 . . . . -102.9(3)
C63 C69 C70 C71 . . . . 74.9(4)
C78 C70 C71 C72 . . . . -1.9(5)
C69 C70 C71 C72 . . . . 171.3(3)
C78 C70 C71 C83 . . . . -179.5(3)
C69 C70 C71 C83 . . . . -6.3(5)
C70 C71 C72 C73 . . . . -0.5(6)
C83 C71 C72 C73 . . . . 177.1(4)
C71 C72 C73 C77 . . . . 2.8(6)
C71 C72 C73 C74 . . . . -176.6(4)
C77 C73 C74 C76 . . . . -113.7(5)
C72 C73 C74 C76 . . . . 65.6(6)
C77 C73 C74 C75 . . . . 18.2(7)
C72 C73 C74 C75 . . . . -162.5(4)
C72 C73 C77 C78 . . . . -2.7(6)
C74 C73 C77 C78 . . . . 176.6(4)
C73 C77 C78 C70 . . . . 0.4(6)
C73 C77 C78 C79 . . . . 178.0(4)
C71 C70 C78 C77 . . . . 1.9(5)
C69 C70 C78 C77 . . . . -171.3(3)
C71 C70 C78 C79 . . . . -175.6(3)
C69 C70 C78 C79 . . . . 11.2(5)
C77 C78 C79 C81 . . . . 67.1(4)
C70 C78 C79 C81 . . . . -115.4(4)
C77 C78 C79 C80 . . . . -57.9(4)
C70 C78 C79 C80 . . . . 119.6(4)
C72 C71 C83 C84 . . . . 35.1(5)
C70 C71 C83 C84 . . . . -147.3(3)
C72 C71 C83 C85 . . . . -89.4(4)
C70 C71 C83 C85 . . . . 88.3(4)
C65 C64 C86 C87 . . . . -81.7(4)
C63 C64 C86 C87 . . . . 98.0(3)
C65 C64 C86 C91 . . . . 95.2(3)
C63 C64 C86 C91 . . . . -85.1(4)
C91 C86 C87 C88 . . . . -1.7(4)
C64 C86 C87 C88 . . . . 175.3(3)
C91 C86 C87 C98 . . . . 178.4(3)
C64 C86 C87 C98 . . . . -4.7(4)
C86 C87 C88 C89 . . . . 0.5(5)
C98 C87 C88 C89 . . . . -179.6(3)
C87 C88 C89 C90 . . . . 1.3(5)
C87 C88 C89 C95 . . . . -177.9(3)
C88 C89 C90 C91 . . . . -1.9(5)
C95 C89 C90 C91 . . . . 177.3(3)
C89 C90 C91 C86 . . . . 0.8(5)
C89 C90 C91 C92 . . . . -177.4(3)
C87 C86 C91 C90 . . . . 1.1(4)
C64 C86 C91 C90 . . . . -175.9(3)
C87 C86 C91 C92 . . . . 179.3(3)
C64 C86 C91 C92 . . . . 2.3(4)
C90 C91 C92 C94 . . . . 90.6(3)
C86 C91 C92 C94 . . . . -87.6(3)
C90 C91 C92 C93 . . . . -33.2(4)
C86 C91 C92 C93 . . . . 148.7(3)
C90 C89 C95 C96 . . . . 125.6(3)
C88 C89 C95 C96 . . . . -55.2(4)
C90 C89 C95 C97 . . . . -109.6(3)
C88 C89 C95 C97 . . . . 69.6(4)
C88 C87 C98 C100 . . . . -75.0(4)
C86 C87 C98 C100 . . . . 104.9(3)
C88 C87 C98 C99 . . . . 48.7(4)
C86 C87 C98 C99 . . . . -131.3(3)
