#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:37:03 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179069 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/31/4303156.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_4303156
loop_
_publ_author_name
'Yan-Gong Han'
'Chao Xu'
'Taike Duan'
'Fang-Hui Wu'
'Qian-Feng Zhang'
'Wa-Hung Leung'
_publ_section_title
;
Heterometallic Aggregates of Copper(I) with Metalloligand Sn(edt)2 (edt =
ethane-1,2-dithiolate): Syntheses and Structures of
[Sn(edt)2Cl(μ-I)(μ3-I)(CuPPh3)3], [Sn(edt)2(μ-Br)2(μ3-Br)2(CuPPh3)4],
and [{Sn(edt)2}3(μ-OH)3Cu5(PPh3)8][PF6]2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8796
_journal_page_last               8802
_journal_paper_doi               10.1021/ic9009515
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C156 H157 Cu5 F12 O9 P9 S12 Sn3'
_chemical_formula_weight         3741.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.809(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.305(4)
_cell_length_b                   24.268(4)
_cell_length_c                   29.046(4)
_cell_measurement_reflns_used    6298
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.98
_cell_measurement_theta_min      2.47
_cell_volume                     18519(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0908
_diffrn_reflns_av_sigmaI/netI    0.1085
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            28229
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         4.76
_exptl_absorpt_coefficient_mu    1.233
_exptl_absorpt_correction_T_max  0.7239
_exptl_absorpt_correction_T_min  0.6254
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7580
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.292
_refine_diff_density_min         -1.102
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     903
_refine_ls_number_reflns         13831
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0685
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1261P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1844
_reflns_number_gt                7815
_reflns_number_total             18209
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9009515_si_001_3.cif
_cod_data_source_block           c2c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4303156
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.55553(5) 0.22788(4) 0.09306(4) 0.0502(4) Uani 1 1 d . . .
Cu2 Cu 0.38075(4) 0.33857(4) 0.19040(4) 0.0414(3) Uani 1 1 d . . .
Cu3 Cu 0.5000 0.57967(6) 0.2500 0.0455(5) Uani 1 2 d S . .
Sn1 Sn 0.52095(2) 0.29003(2) 0.18523(2) 0.0367(2) Uani 1 1 d . . .
Sn2 Sn 0.5000 0.43949(3) 0.2500 0.0357(3) Uani 1 2 d S . .
S1 S 0.60535(9) 0.27887(9) 0.24382(9) 0.0434(7) Uani 1 1 d . . .
S2 S 0.56551(10) 0.32067(9) 0.12459(9) 0.0470(7) Uani 1 1 d . . .
S3 S 0.50732(9) 0.19430(9) 0.15389(9) 0.0488(7) Uani 1 1 d . . .
S4 S 0.43167(9) 0.31185(9) 0.14076(9) 0.0454(7) Uani 1 1 d . . .
S5 S 0.40634(9) 0.42750(8) 0.21889(9) 0.0472(7) Uani 1 1 d . . .
S6 S 0.49597(9) 0.50968(9) 0.18618(9) 0.0451(7) Uani 1 1 d . . .
O1 O 0.5000 0.2727(3) 0.2500 0.0258(18) Uani 1 2 d S . .
O2 O 0.51407(19) 0.37320(17) 0.20646(18) 0.0256(13) Uani 1 1 d . . .
P1 P 0.63135(10) 0.18013(10) 0.10493(10) 0.0495(7) Uani 1 1 d . . .
P2 P 0.50128(12) 0.22569(11) 0.01613(10) 0.0593(9) Uani 1 1 d . . .
P3 P 0.29737(9) 0.33561(9) 0.14973(9) 0.0442(7) Uani 1 1 d . . .
P4 P 0.42580(10) 0.63087(9) 0.23610(10) 0.0455(7) Uani 1 1 d . . .
C1 C 0.6467(4) 0.2936(4) 0.2058(4) 0.063(3) Uani 1 1 d . . .
H1A H 0.6796 0.3050 0.2259 0.076 Uiso 1 1 calc R . .
H1B H 0.6517 0.2598 0.1898 0.076 Uiso 1 1 calc R . .
C2 C 0.6272(4) 0.3381(4) 0.1675(4) 0.060(3) Uani 1 1 d . . .
H2A H 0.6524 0.3438 0.1500 0.072 Uiso 1 1 calc R . .
H2B H 0.6236 0.3725 0.1833 0.072 Uiso 1 1 calc R . .
C3 C 0.4373(4) 0.1968(4) 0.1387(5) 0.064(3) Uani 1 1 d . . .
H3A H 0.4239 0.1640 0.1204 0.077 Uiso 1 1 calc R . .
H3B H 0.4271 0.1956 0.1681 0.077 Uiso 1 1 calc R . .
C4 C 0.4136(4) 0.2460(4) 0.1107(4) 0.060(3) Uani 1 1 d . . .
H4A H 0.3769 0.2423 0.1031 0.072 Uiso 1 1 calc R . .
H4B H 0.4228 0.2465 0.0807 0.072 Uiso 1 1 calc R . .
C5 C 0.3926(4) 0.4793(4) 0.1722(4) 0.063(4) Uani 1 1 d . . .
H5A H 0.3612 0.4694 0.1487 0.075 Uiso 1 1 calc R . .
H5B H 0.3870 0.5143 0.1862 0.075 Uiso 1 1 calc R . .
C6 C 0.4342(5) 0.4869(4) 0.1468(4) 0.067(4) Uani 1 1 d . . .
H6A H 0.4228 0.5137 0.1214 0.080 Uiso 1 1 calc R . .
H6B H 0.4392 0.4522 0.1320 0.080 Uiso 1 1 calc R . .
C11 C 0.6364(5) 0.1348(4) 0.0560(5) 0.061(3) Uani 1 1 d . . .
C12 C 0.6032(5) 0.0891(5) 0.0465(5) 0.090(5) Uani 1 1 d . . .
H12 H 0.5804 0.0840 0.0647 0.108 Uiso 1 1 calc R . .
C13 C 0.6040(7) 0.0517(6) 0.0109(7) 0.104(6) Uani 1 1 d . . .
H13 H 0.5816 0.0221 0.0043 0.125 Uiso 1 1 calc R . .
C14 C 0.6397(10) 0.0600(8) -0.0152(6) 0.117(8) Uani 1 1 d . . .
H14 H 0.6408 0.0351 -0.0393 0.141 Uiso 1 1 calc R . .
C15 C 0.6736(8) 0.1039(7) -0.0063(5) 0.101(6) Uani 1 1 d . . .
H15 H 0.6973 0.1086 -0.0237 0.122 Uiso 1 1 calc R . .
C16 C 0.6707(7) 0.1405(5) 0.0296(5) 0.086(5) Uani 1 1 d . . .
H16 H 0.6930 0.1702 0.0360 0.103 Uiso 1 1 calc R . .
C21 C 0.6543(4) 0.1332(4) 0.1562(4) 0.048(3) Uani 1 1 d . . .
C22 C 0.6892(4) 0.0918(4) 0.1568(4) 0.071(4) Uani 1 1 d . . .
H22 H 0.7025 0.0871 0.1307 0.085 Uiso 1 1 calc R . .
C23 C 0.7047(6) 0.0568(5) 0.1966(6) 0.091(5) Uani 1 1 d . . .
H23 H 0.7286 0.0293 0.1970 0.109 Uiso 1 1 calc R . .
C24 C 0.6863(7) 0.0624(6) 0.2330(7) 0.104(6) Uani 1 1 d . . .
H24 H 0.6966 0.0380 0.2584 0.124 Uiso 1 1 calc R . .
C25 C 0.6517(6) 0.1033(6) 0.2355(5) 0.097(5) Uani 1 1 d . . .
H25 H 0.6396 0.1075 0.2623 0.117 Uiso 1 1 calc R . .
C26 C 0.6353(5) 0.1388(4) 0.1949(5) 0.073(4) Uani 1 1 d . . .
H26 H 0.6115 0.1662 0.1948 0.088 Uiso 1 1 calc R . .
C31 C 0.6847(4) 0.2283(4) 0.1111(4) 0.055(3) Uani 1 1 d . . .
C32 C 0.7318(5) 0.2249(5) 0.1441(5) 0.083(4) Uani 1 1 d . . .
H32 H 0.7375 0.1955 0.1654 0.099 Uiso 1 1 calc R . .
C33 C 0.7696(5) 0.2605(7) 0.1476(7) 0.115(6) Uani 1 1 d . . .
H33 H 0.8006 0.2558 0.1705 0.138 Uiso 1 1 calc R . .
C34 C 0.7617(7) 0.3040(8) 0.1168(9) 0.126(7) Uani 1 1 d . . .
H34 H 0.7878 0.3293 0.1187 0.152 Uiso 1 1 calc R . .
C35 C 0.7165(7) 0.3110(7) 0.0832(8) 0.115(6) Uani 1 1 d . . .
H35 H 0.7114 0.3412 0.0628 0.138 Uiso 1 1 calc R . .
C36 C 0.6776(5) 0.2722(5) 0.0799(5) 0.083(4) Uani 1 1 d . . .
H36 H 0.6469 0.2761 0.0564 0.100 Uiso 1 1 calc R . .
C41 C 0.5315(6) 0.2045(6) -0.0305(5) 0.075(4) Uani 1 1 d . . .
C42 C 0.5683(8) 0.2367(7) -0.0389(6) 0.096(5) Uani 1 1 d . . .
H42 H 0.5767 0.2692 -0.0216 0.115 Uiso 1 1 calc R . .
C43 C 0.5941(8) 0.2231(9) -0.0726(7) 0.121(6) Uani 1 1 d . . .
H43 H 0.6186 0.2470 -0.0779 0.146 Uiso 1 1 calc R . .
C44 C 0.5840(10) 0.1757(11) -0.0975(6) 0.127(8) Uani 1 1 d . . .
H44 H 0.6014 0.1658 -0.1197 0.152 Uiso 1 1 calc R . .
C45 C 0.5460(9) 0.1418(8) -0.0882(7) 0.106(6) Uani 1 1 d . . .
H45 H 0.5380 0.1085 -0.1044 0.127 Uiso 1 1 calc R . .
C46 C 0.5211(6) 0.1571(5) -0.0564(5) 0.080(4) Uani 1 1 d . . .
H46 H 0.4956 0.1343 -0.0518 0.096 Uiso 1 1 calc R . .
C51 C 0.4508(4) 0.1742(4) 0.0142(4) 0.070(4) Uani 1 1 d . . .
C52 C 0.4635(5) 0.1265(5) 0.0408(5) 0.077(4) Uani 1 1 d . . .
H52 H 0.4974 0.1205 0.0574 0.093 Uiso 1 1 calc R . .
C53 C 0.4274(7) 0.0869(6) 0.0435(6) 0.111(5) Uani 1 1 d . . .
H53 H 0.4385 0.0547 0.0604 0.133 Uiso 1 1 calc R . .
C54 C 0.3786(8) 0.0929(9) 0.0236(11) 0.174(12) Uani 1 1 d . . .
H54 H 0.3549 0.0670 0.0275 0.209 Uiso 1 1 calc R . .
C55 C 0.3646(7) 0.1393(10) -0.0033(11) 0.192(13) Uani 1 1 d . . .
H55 H 0.3303 0.1444 -0.0188 0.230 Uiso 1 1 calc R . .
C56 C 0.4001(6) 0.1804(6) -0.0088(8) 0.152(9) Uani 1 1 d . . .
H56 H 0.3889 0.2112 -0.0279 0.183 Uiso 1 1 calc R . .
C61 C 0.4643(5) 0.2875(4) -0.0105(4) 0.072(4) Uani 1 1 d . . .
C62 C 0.4444(8) 0.2916(7) -0.0594(5) 0.142(8) Uani 1 1 d . . .
H62 H 0.4495 0.2638 -0.0797 0.170 Uiso 1 1 calc R . .
C63 C 0.4151(10) 0.3411(10) -0.0783(6) 0.182(11) Uani 1 1 d . . .
H63 H 0.4031 0.3460 -0.1113 0.218 Uiso 1 1 calc R . .
C64 C 0.4054(8) 0.3794(7) -0.0489(7) 0.133(7) Uani 1 1 d . . .
H64 H 0.3854 0.4099 -0.0612 0.160 Uiso 1 1 calc R . .
C65 C 0.4248(6) 0.3736(5) -0.0009(6) 0.096(5) Uani 1 1 d . . .
H65 H 0.4178 0.4002 0.0194 0.115 Uiso 1 1 calc R . .
C66 C 0.4558(5) 0.3276(4) 0.0189(5) 0.072(4) Uani 1 1 d . . .
H66 H 0.4701 0.3250 0.0518 0.087 Uiso 1 1 calc R . .
C71 C 0.2766(4) 0.2689(4) 0.1199(4) 0.053(3) Uani 1 1 d . . .
C72 C 0.2960(4) 0.2211(4) 0.1436(5) 0.066(3) Uani 1 1 d . . .
H72 H 0.3189 0.2241 0.1737 0.080 Uiso 1 1 calc R . .
C73 C 0.2833(5) 0.1697(4) 0.1253(5) 0.076(4) Uani 1 1 d . . .
H73 H 0.2959 0.1382 0.1428 0.091 Uiso 1 1 calc R . .
C74 C 0.2501(7) 0.1661(6) 0.0782(6) 0.107(5) Uani 1 1 d . . .
H74 H 0.2407 0.1319 0.0641 0.128 Uiso 1 1 calc R . .
C75 C 0.2324(8) 0.2123(7) 0.0545(6) 0.135(8) Uani 1 1 d . . .
H75 H 0.2105 0.2095 0.0239 0.162 Uiso 1 1 calc R . .
C76 C 0.2454(6) 0.2651(5) 0.0739(5) 0.105(6) Uani 1 1 d . . .
H76 H 0.2332 0.2966 0.0562 0.126 Uiso 1 1 calc R . .
C81 C 0.2798(4) 0.3881(4) 0.1040(4) 0.051(3) Uani 1 1 d . . .
C82 C 0.3071(5) 0.3924(5) 0.0717(5) 0.073(4) Uani 1 1 d . . .
H82 H 0.3321 0.3661 0.0726 0.088 Uiso 1 1 calc R . .
C83 C 0.2999(6) 0.4358(6) 0.0352(5) 0.100(5) Uani 1 1 d . . .
H83 H 0.3192 0.4384 0.0133 0.120 Uiso 1 1 calc R . .
C84 C 0.2607(7) 0.4731(5) 0.0368(6) 0.101(6) Uani 1 1 d . . .
H84 H 0.2534 0.5019 0.0148 0.121 Uiso 1 1 calc R . .
C85 C 0.2334(6) 0.4684(5) 0.0692(6) 0.089(5) Uani 1 1 d . . .
H85 H 0.2074 0.4935 0.0680 0.106 Uiso 1 1 calc R . .
C86 C 0.2423(5) 0.4290(5) 0.1028(4) 0.076(4) Uani 1 1 d . . .
C91 C 0.2548(3) 0.3467(4) 0.1873(4) 0.048(3) Uani 1 1 d . . .
C92 C 0.2128(5) 0.3139(5) 0.1868(6) 0.088(5) Uani 1 1 d . . .
H92 H 0.2040 0.2850 0.1651 0.105 Uiso 1 1 calc R . .
C93 C 0.1832(7) 0.3248(7) 0.2196(8) 0.117(6) Uani 1 1 d . . .
H93 H 0.1554 0.3024 0.2193 0.141 Uiso 1 1 calc R . .
C94 C 0.1947(7) 0.3665(7) 0.2506(7) 0.105(5) Uani 1 1 d . . .
H94 H 0.1749 0.3729 0.2715 0.126 Uiso 1 1 calc R . .
C95 C 0.2362(6) 0.4006(6) 0.2519(5) 0.084(4) Uani 1 1 d . . .
H95 H 0.2437 0.4301 0.2731 0.101 Uiso 1 1 calc R . .
C96 C 0.2670(5) 0.3897(4) 0.2205(4) 0.061(3) Uani 1 1 d . . .
H96 H 0.2955 0.4114 0.2221 0.073 Uiso 1 1 calc R . .
C101 C 0.3926(4) 0.6301(4) 0.1719(4) 0.045(3) Uani 1 1 d . . .
C102 C 0.4212(6) 0.6339(4) 0.1406(5) 0.070(4) Uani 1 1 d . . .
H102 H 0.4560 0.6396 0.1525 0.084 Uiso 1 1 calc R . .
C103 C 0.4003(7) 0.6297(6) 0.0902(6) 0.103(5) Uani 1 1 d . . .
H103 H 0.4202 0.6332 0.0690 0.124 Uiso 1 1 calc R . .
C104 C 0.3463(8) 0.6197(6) 0.0742(7) 0.111(6) Uani 1 1 d . . .
H104 H 0.3308 0.6158 0.0417 0.133 Uiso 1 1 calc R . .
C105 C 0.3175(7) 0.6158(7) 0.1053(7) 0.113(6) Uani 1 1 d . . .
H105 H 0.2827 0.6097 0.0942 0.136 Uiso 1 1 calc R . .
C106 C 0.3401(4) 0.6210(5) 0.1533(4) 0.070(3) Uani 1 1 d . . .
H106 H 0.3200 0.6185 0.1744 0.084 Uiso 1 1 calc R . .
C111 C 0.3766(4) 0.6128(4) 0.2652(4) 0.054(3) Uani 1 1 d . . .
C112 C 0.3750(5) 0.5604(5) 0.2842(5) 0.073(4) Uani 1 1 d . . .
H112 H 0.3983 0.5338 0.2807 0.088 Uiso 1 1 calc R . .
C113 C 0.3386(7) 0.5469(7) 0.3089(6) 0.098(5) Uani 1 1 d . . .
H113 H 0.3377 0.5118 0.3215 0.117 Uiso 1 1 calc R . .
C114 C 0.3049(6) 0.5862(9) 0.3138(6) 0.104(5) Uani 1 1 d . . .
H114 H 0.2803 0.5772 0.3293 0.125 Uiso 1 1 calc R . .
C115 C 0.3059(6) 0.6371(7) 0.2973(6) 0.095(5) Uani 1 1 d . . .
H115 H 0.2834 0.6633 0.3030 0.114 Uiso 1 1 calc R . .
C116 C 0.3402(5) 0.6518(5) 0.2718(6) 0.081(4) Uani 1 1 d . . .
H116 H 0.3393 0.6871 0.2591 0.097 Uiso 1 1 calc R . .
C121 C 0.4350(4) 0.7040(4) 0.2523(4) 0.055(3) Uani 1 1 d . . .
C122 C 0.4249(4) 0.7475(4) 0.2192(5) 0.068(3) Uani 1 1 d . . .
H122 H 0.4136 0.7401 0.1866 0.082 Uiso 1 1 calc R . .
C123 C 0.4318(5) 0.8012(5) 0.2350(6) 0.081(4) Uani 1 1 d . . .
H123 H 0.4247 0.8295 0.2126 0.098 Uiso 1 1 calc R . .
C124 C 0.4485(5) 0.8142(5) 0.2817(6) 0.077(4) Uani 1 1 d . . .
H124 H 0.4526 0.8508 0.2913 0.092 Uiso 1 1 calc R . .
C125 C 0.4595(5) 0.7718(6) 0.3156(6) 0.088(4) Uani 1 1 d . . .
H125 H 0.4712 0.7802 0.3480 0.105 Uiso 1 1 calc R . .
C126 C 0.4529(4) 0.7173(4) 0.3008(4) 0.064(3) Uani 1 1 d . . .
H126 H 0.4604 0.6893 0.3234 0.077 Uiso 1 1 calc R . .
P5 P 0.7597(3) 0.4799(3) 0.1064(3) 0.158(2) Uiso 1 1 d . . .
F1 F 0.7369(5) 0.4444(5) 0.0603(5) 0.166(4) Uiso 1 1 d . . .
F2 F 0.7234(6) 0.4497(7) 0.1317(6) 0.221(6) Uiso 1 1 d . . .
F3 F 0.7195(5) 0.5269(5) 0.0864(5) 0.176(5) Uiso 1 1 d . . .
F4 F 0.7867(7) 0.5126(7) 0.1533(7) 0.232(7) Uiso 1 1 d . . .
F5 F 0.7960(6) 0.5119(6) 0.0833(6) 0.202(5) Uiso 1 1 d . . .
F6 F 0.8046(8) 0.4342(7) 0.1228(7) 0.255(8) Uiso 1 1 d . . .
O1W O 0.5536(5) 0.4749(5) 0.0908(5) 0.051(3) Uiso 0.50 1 d P . .
O2W O 0.5289(7) 0.9893(8) 0.0887(11) 0.159(12) Uani 0.50 1 d P . .
O3W O 0.4378(11) 0.9439(6) 0.2022(12) 0.172(12) Uani 0.50 1 d P . .
O4W O 0.1067(5) 0.4247(7) 0.1387(9) 0.241(11) 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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Cu1 P2 116.25(12) . . ?
P1 Cu1 S2 113.94(10) . . ?
P2 Cu1 S2 111.25(9) . . ?
P1 Cu1 S3 109.82(10) . . ?
P2 Cu1 S3 109.75(11) . . ?
S2 Cu1 S3 93.44(9) . . ?
P3 Cu2 S1 108.80(10) . 2_655 ?
P3 Cu2 S5 111.95(9) . . ?
S1 Cu2 S5 108.30(9) 2_655 . ?
P3 Cu2 S4 110.50(10) . . ?
S1 Cu2 S4 109.74(10) 2_655 . ?
S5 Cu2 S4 107.51(10) . . ?
P4 Cu3 P4 115.12(13) . 2_655 ?
P4 Cu3 S6 112.11(8) . . ?
P4 Cu3 S6 110.74(9) 2_655 . ?
P4 Cu3 S6 110.74(9) . 2_655 ?
P4 Cu3 S6 112.11(8) 2_655 2_655 ?
S6 Cu3 S6 94.16(11) . 2_655 ?
O2 Sn1 O1 82.4(2) . . ?
O2 Sn1 S1 92.50(14) . . ?
O1 Sn1 S1 78.30(7) . . ?
O2 Sn1 S4 78.33(14) . . ?
O1 Sn1 S4 92.26(8) . . ?
S1 Sn1 S4 167.71(9) . . ?
O2 Sn1 S3 166.83(14) . . ?
O1 Sn1 S3 95.06(18) . . ?
S1 Sn1 S3 99.65(8) . . ?
S4 Sn1 S3 88.91(8) . . ?
O2 Sn1 S2 91.16(16) . . ?
O1 Sn1 S2 165.11(10) . . ?
S1 Sn1 S2 88.65(9) . . ?
S4 Sn1 S2 99.58(9) . . ?
S3 Sn1 S2 94.16(9) . . ?
O2 Sn2 O2 82.8(3) 2_655 . ?
O2 Sn2 S5 78.15(14) 2_655 . ?
O2 Sn2 S5 91.71(14) . . ?
O2 Sn2 S5 91.71(14) 2_655 2_655 ?
O2 Sn2 S5 78.15(14) . 2_655 ?
S5 Sn2 S5 166.56(10) . 2_655 ?
O2 Sn2 S6 93.02(15) 2_655 2_655 ?
O2 Sn2 S6 166.03(13) . 2_655 ?
S5 Sn2 S6 100.52(8) . 2_655 ?
S5 Sn2 S6 88.69(8) 2_655 2_655 ?
O2 Sn2 S6 166.03(13) 2_655 . ?
O2 Sn2 S6 93.02(15) . . ?
S5 Sn2 S6 88.69(8) . . ?
S5 Sn2 S6 100.52(8) 2_655 . ?
S6 Sn2 S6 94.00(11) 2_655 . ?
C1 S1 Cu2 112.6(3) . 2_655 ?
C1 S1 Sn1 100.1(3) . . ?
Cu2 S1 Sn1 113.93(10) 2_655 . ?
C2 S2 Cu1 117.1(4) . . ?
C2 S2 Sn1 97.0(4) . . ?
Cu1 S2 Sn1 87.93(9) . . ?
C3 S3 Sn1 95.7(3) . . ?
C3 S3 Cu1 120.7(4) . . ?
Sn1 S3 Cu1 84.44(8) . . ?
C4 S4 Cu2 114.0(4) . . ?
C4 S4 Sn1 99.3(3) . . ?
Cu2 S4 Sn1 113.60(10) . . ?
C5 S5 Cu2 113.1(4) . . ?
C5 S5 Sn2 100.0(4) . . ?
Cu2 S5 Sn2 114.42(9) . . ?
C6 S6 Cu3 120.9(4) . . ?
C6 S6 Sn2 96.0(4) . . ?
Cu3 S6 Sn2 85.92(8) . . ?
Sn1 O1 Sn1 157.4(3) 2_655 . ?
Sn1 O2 Sn2 157.5(3) . . ?
C11 P1 C31 103.4(6) . . ?
C11 P1 C21 100.1(5) . . ?
C31 P1 C21 103.2(5) . . ?
C11 P1 Cu1 116.0(3) . . ?
C31 P1 Cu1 110.4(3) . . ?
C21 P1 Cu1 121.5(4) . . ?
C41 P2 C51 105.6(6) . . ?
C41 P2 C61 102.8(5) . . ?
C51 P2 C61 102.5(6) . . ?
C41 P2 Cu1 114.7(4) . . ?
C51 P2 Cu1 108.6(4) . . ?
C61 P2 Cu1 121.0(4) . . ?
C81 P3 C91 104.6(5) . . ?
C81 P3 C71 106.6(5) . . ?
C91 P3 C71 104.3(5) . . ?
C81 P3 Cu2 112.8(4) . . ?
C91 P3 Cu2 113.5(3) . . ?
C71 P3 Cu2 114.1(3) . . ?
C111 P4 C121 100.4(5) . . ?
C111 P4 C101 104.2(5) . . ?
C121 P4 C101 105.4(5) . . ?
C111 P4 Cu3 120.7(3) . . ?
C121 P4 Cu3 114.9(3) . . ?
C101 P4 Cu3 109.7(4) . . ?
C2 C1 S1 115.4(8) . . ?
C2 C1 H1A 108.4 . . ?
S1 C1 H1A 108.4 . . ?
C2 C1 H1B 108.4 . . ?
S1 C1 H1B 108.4 . . ?
H1A C1 H1B 107.5 . . ?
C1 C2 S2 113.4(7) . . ?
C1 C2 H2A 108.9 . . ?
S2 C2 H2A 108.9 . . ?
C1 C2 H2B 108.9 . . ?
S2 C2 H2B 108.9 . . ?
H2A C2 H2B 107.7 . . ?
C4 C3 S3 115.1(8) . . ?
C4 C3 H3A 108.5 . . ?
S3 C3 H3A 108.5 . . ?
C4 C3 H3B 108.5 . . ?
S3 C3 H3B 108.5 . . ?
H3A C3 H3B 107.5 . . ?
C3 C4 S4 115.0(7) . . ?
C3 C4 H4A 108.5 . . ?
S4 C4 H4A 108.5 . . ?
C3 C4 H4B 108.5 . . ?
S4 C4 H4B 108.5 . . ?
H4A C4 H4B 107.5 . . ?
C6 C5 S5 114.7(7) . . ?
C6 C5 H5A 108.6 . . ?
S5 C5 H5A 108.6 . . ?
C6 C5 H5B 108.6 . . ?
S5 C5 H5B 108.6 . . ?
H5A C5 H5B 107.6 . . ?
C5 C6 S6 114.2(8) . . ?
C5 C6 H6A 108.7 . . ?
S6 C6 H6A 108.7 . . ?
C5 C6 H6B 108.7 . . ?
S6 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
C16 C11 C12 118.0(12) . . ?
C16 C11 P1 125.6(10) . . ?
C12 C11 P1 116.3(12) . . ?
C13 C12 C11 121.5(17) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C12 C13 C14 117.7(16) . . ?
C12 C13 H13 121.1 . . ?
C14 C13 H13 121.1 . . ?
C15 C14 C13 122.3(14) . . ?
C15 C14 H14 118.8 . . ?
C13 C14 H14 118.8 . . ?
C16 C15 C14 117.4(18) . . ?
C16 C15 H15 121.3 . . ?
C14 C15 H15 121.3 . . ?
C11 C16 C15 123.0(17) . . ?
C11 C16 H16 118.5 . . ?
C15 C16 H16 118.5 . . ?
C26 C21 C22 118.6(10) . . ?
C26 C21 P1 118.7(8) . . ?
C22 C21 P1 122.6(10) . . ?
C21 C22 C23 120.0(14) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C24 C23 C22 120.7(13) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C23 C24 C25 122.8(14) . . ?
C23 C24 H24 118.6 . . ?
C25 C24 H24 118.6 . . ?
C24 C25 C26 116.8(16) . . ?
C24 C25 H25 121.6 . . ?
C26 C25 H25 121.6 . . ?
C21 C26 C25 121.0(12) . . ?
C21 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C36 C31 C32 116.0(11) . . ?
C36 C31 P1 117.5(9) . . ?
C32 C31 P1 126.5(9) . . ?
C33 C32 C31 125.0(14) . . ?
C33 C32 H32 117.5 . . ?
C31 C32 H32 117.5 . . ?
C32 C33 C34 118.2(15) . . ?
C32 C33 H33 120.9 . . ?
C34 C33 H33 120.9 . . ?
C35 C34 C33 121.2(15) . . ?
C35 C34 H34 119.4 . . ?
C33 C34 H34 119.4 . . ?
C34 C35 C36 119.2(16) . . ?
C34 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
C31 C36 C35 120.4(14) . . ?
C31 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C42 C41 C46 116.3(17) . . ?
C42 C41 P2 118.5(14) . . ?
C46 C41 P2 125.2(14) . . ?
C41 C42 C43 122.4(18) . . ?
C41 C42 H42 118.8 . . ?
C43 C42 H42 118.8 . . ?
C44 C43 C42 121(2) . . ?
C44 C43 H43 119.6 . . ?
C42 C43 H43 119.6 . . ?
C43 C44 C45 117(2) . . ?
C43 C44 H44 121.7 . . ?
C45 C44 H44 121.6 . . ?
C46 C45 C44 121(2) . . ?
C46 C45 H45 119.7 . . ?
C44 C45 H45 119.7 . . ?
C45 C46 C41 123.2(18) . . ?
C45 C46 H46 118.4 . . ?
C41 C46 H46 118.4 . . ?
C56 C51 C52 115.5(13) . . ?
C56 C51 P2 125.8(10) . . ?
C52 C51 P2 118.5(8) . . ?
C51 C52 C53 122.3(14) . . ?
C51 C52 H52 118.9 . . ?
C53 C52 H52 118.9 . . ?
C54 C53 C52 123.4(18) . . ?
C54 C53 H53 118.3 . . ?
C52 C53 H53 118.3 . . ?
C53 C54 C55 116(2) . . ?
C53 C54 H54 122.0 . . ?
C55 C54 H54 122.0 . . ?
C54 C55 C56 123.1(16) . . ?
C54 C55 H55 118.5 . . ?
C56 C55 H55 118.4 . . ?
C51 C56 C55 119.6(15) . . ?
C51 C56 H56 120.2 . . ?
C55 C56 H56 120.2 . . ?
C66 C61 C62 120.7(11) . . ?
C66 C61 P2 118.9(8) . . ?
C62 C61 P2 120.3(9) . . ?
C61 C62 C63 117.8(14) . . ?
C61 C62 H62 121.1 . . ?
C63 C62 H62 121.1 . . ?
C64 C63 C62 120.9(14) . . ?
C64 C63 H63 119.5 . . ?
C62 C63 H63 119.5 . . ?
C63 C64 C65 119.6(14) . . ?
C63 C64 H64 120.2 . . ?
C65 C64 H64 120.2 . . ?
C64 C65 C66 121.4(14) . . ?
C64 C65 H65 119.3 . . ?
C66 C65 H65 119.3 . . ?
C61 C66 C65 119.4(12) . . ?
C61 C66 H66 120.3 . . ?
C65 C66 H66 120.3 . . ?
C76 C71 C72 118.6(10) . . ?
C76 C71 P3 122.9(8) . . ?
C72 C71 P3 118.4(8) . . ?
C73 C72 C71 123.6(11) . . ?
C73 C72 H72 118.2 . . ?
C71 C72 H72 118.2 . . ?
C72 C73 C74 117.3(11) . . ?
C72 C73 H73 121.4 . . ?
C74 C73 H73 121.4 . . ?
C75 C74 C73 119.3(12) . . ?
C75 C74 H74 120.3 . . ?
C73 C74 H74 120.4 . . ?
C74 C75 C76 122.9(13) . . ?
C74 C75 H75 118.6 . . ?
C76 C75 H75 118.5 . . ?
C71 C76 C75 118.2(12) . . ?
C71 C76 H76 120.9 . . ?
C75 C76 H76 120.9 . . ?
C82 C81 C86 117.4(11) . . ?
C82 C81 P3 118.6(8) . . ?
C86 C81 P3 123.7(11) . . ?
C81 C82 C83 124.5(13) . . ?
C81 C82 H82 117.7 . . ?
C83 C82 H82 117.7 . . ?
C84 C83 C82 112.9(17) . . ?
C84 C83 H83 123.6 . . ?
C82 C83 H83 123.5 . . ?
C85 C84 C83 122.2(13) . . ?
C85 C84 H84 118.9 . . ?
C83 C84 H84 118.9 . . ?
C86 C85 C84 122.9(13) . . ?
C86 C85 H85 118.6 . . ?
C84 C85 H85 118.6 . . ?
C85 C86 C81 120.0(15) . . ?
C92 C91 C96 118.3(13) . . ?
C92 C91 P3 124.6(10) . . ?
C96 C91 P3 117.0(9) . . ?
C91 C92 C93 120.0(14) . . ?
C91 C92 H92 120.0 . . ?
C93 C92 H92 120.0 . . ?
C94 C93 C92 121.0(16) . . ?
C94 C93 H93 119.5 . . ?
C92 C93 H93 119.5 . . ?
C93 C94 C95 120.7(17) . . ?
C93 C94 H94 119.7 . . ?
C95 C94 H94 119.7 . . ?
C94 C95 C96 119.2(14) . . ?
C94 C95 H95 120.4 . . ?
C96 C95 H95 120.4 . . ?
C91 C96 C95 120.7(12) . . ?
C91 C96 H96 119.6 . . ?
C95 C96 H96 119.7 . . ?
C102 C101 C106 117.9(10) . . ?
C102 C101 P4 117.8(8) . . ?
C106 C101 P4 124.1(10) . . ?
C101 C102 C103 122.9(14) . . ?
C101 C102 H102 118.5 . . ?
C103 C102 H102 118.5 . . ?
C102 C103 C104 115.6(17) . . ?
C102 C103 H103 122.2 . . ?
C104 C103 H103 122.2 . . ?
C105 C104 C103 121.8(15) . . ?
C105 C104 H104 119.1 . . ?
C103 C104 H104 119.1 . . ?
C104 C105 C106 119.4(15) . . ?
C104 C105 H105 120.3 . . ?
C106 C105 H105 120.3 . . ?
C105 C106 C101 122.4(15) . . ?
C105 C106 H106 118.8 . . ?
C101 C106 H106 118.8 . . ?
C112 C111 C116 117.1(13) . . ?
C112 C111 P4 120.6(9) . . ?
C116 C111 P4 122.1(10) . . ?
C111 C112 C113 121.0(12) . . ?
C111 C112 H112 119.5 . . ?
C113 C112 H112 119.5 . . ?
C114 C113 C112 118.7(15) . . ?
C114 C113 H113 120.6 . . ?
C112 C113 H113 120.6 . . ?
C115 C114 C113 122.2(17) . . ?
C115 C114 H114 118.9 . . ?
C113 C114 H114 118.9 . . ?
C114 C115 C116 121.0(15) . . ?
C114 C115 H115 119.5 . . ?
C116 C115 H115 119.5 . . ?
C115 C116 C111 119.8(13) . . ?
C115 C116 H116 120.1 . . ?
C111 C116 H116 120.1 . . ?
C126 C121 C122 117.8(10) . . ?
C126 C121 P4 117.9(8) . . ?
C122 C121 P4 124.3(9) . . ?
C123 C122 C121 120.0(12) . . ?
C123 C122 H122 120.0 . . ?
C121 C122 H122 120.0 . . ?
C124 C123 C122 122.4(12) . . ?
C124 C123 H123 118.8 . . ?
C122 C123 H123 118.8 . . ?
C123 C124 C125 119.1(12) . . ?
C123 C124 H124 120.4 . . ?
C125 C124 H124 120.4 . . ?
C126 C125 C124 119.8(13) . . ?
C126 C125 H125 120.1 . . ?
C124 C125 H125 120.1 . . ?
C125 C126 C121 120.9(12) . . ?
C125 C126 H126 119.5 . . ?
C121 C126 H126 119.5 . . ?
F5 P5 F2 177.2(10) . . ?
F5 P5 F1 93.4(9) . . ?
F2 P5 F1 89.3(9) . . ?
F5 P5 F4 85.3(9) . . ?
F2 P5 F4 92.1(10) . . ?
F1 P5 F4 175.3(10) . . ?
F5 P5 F3 86.7(8) . . ?
F2 P5 F3 92.5(9) . . ?
F1 P5 F3 90.5(7) . . ?
F4 P5 F3 94.0(9) . . ?
F5 P5 F6 87.1(10) . . ?
F2 P5 F6 93.7(10) . . ?
F1 P5 F6 88.2(9) . . ?
F4 P5 F6 87.2(10) . . ?
F3 P5 F6 173.6(11) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 P1 2.315(3) . ?
Cu1 P2 2.321(3) . ?
Cu1 S2 2.418(2) . ?
Cu1 S3 2.605(3) . ?
Cu2 P3 2.262(3) . ?
Cu2 S1 2.345(3) 2_655 ?
Cu2 S5 2.349(2) . ?
Cu2 S4 2.350(3) . ?
Cu3 P4 2.316(3) . ?
Cu3 P4 2.316(3) 2_655 ?
Cu3 S6 2.494(3) . ?
Cu3 S6 2.494(3) 2_655 ?
Sn1 O2 2.134(4) . ?
Sn1 O1 2.1517(15) . ?
Sn1 S1 2.479(2) . ?
Sn1 S4 2.485(2) . ?
Sn1 S3 2.486(2) . ?
Sn1 S2 2.511(3) . ?
Sn2 O2 2.145(4) 2_655 ?
Sn2 O2 2.145(4) . ?
Sn2 S5 2.486(2) . ?
Sn2 S5 2.486(2) 2_655 ?
Sn2 S6 2.498(2) 2_655 ?
Sn2 S6 2.498(2) . ?
S1 C1 1.817(13) . ?
S1 Cu2 2.345(3) 2_655 ?
S2 C2 1.852(10) . ?
S3 C3 1.842(11) . ?
S4 C4 1.823(9) . ?
S5 C5 1.811(10) . ?
S6 C6 1.846(10) . ?
O1 Sn1 2.1517(15) 2_655 ?
P1 C11 1.832(13) . ?
P1 C31 1.838(11) . ?
P1 C21 1.845(11) . ?
P2 C41 1.840(17) . ?
P2 C51 1.850(13) . ?
P2 C61 1.855(10) . ?
P3 C81 1.809(11) . ?
P3 C91 1.819(12) . ?
P3 C71 1.850(10) . ?
P4 C111 1.826(12) . ?
P4 C121 1.836(10) . ?
P4 C101 1.839(10) . ?
C1 C2 1.537(15) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.490(14) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.526(17) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C11 C16 1.368(19) . ?
C11 C12 1.412(17) . ?
C12 C13 1.38(2) . ?
C12 H12 0.9300 . ?
C13 C14 1.40(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.39(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.39(2) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C21 C26 1.365(17) . ?
C21 C22 1.383(14) . ?
C22 C23 1.405(18) . ?
C22 H22 0.9300 . ?
C23 C24 1.29(2) . ?
C23 H23 0.9300 . ?
C24 C25 1.39(2) . ?
C24 H24 0.9300 . ?
C25 C26 1.431(17) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31 C36 1.379(15) . ?
C31 C32 1.381(15) . ?
C32 C33 1.326(17) . ?
C32 H32 0.9300 . ?
C33 C34 1.36(2) . ?
C33 H33 0.9300 . ?
C34 C35 1.36(2) . ?
C34 H34 0.9300 . ?
C35 C36 1.402(19) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C41 C42 1.35(2) . ?
C41 C46 1.360(17) . ?
C42 C43 1.39(2) . ?
C42 H42 0.9300 . ?
C43 C44 1.35(3) . ?
C43 H43 0.9300 . ?
C44 C45 1.41(3) . ?
C44 H44 0.9300 . ?
C45 C46 1.34(2) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C51 C56 1.372(16) . ?
C51 C52 1.383(16) . ?
C52 C53 1.393(19) . ?
C52 H52 0.9300 . ?
C53 C54 1.31(2) . ?
C53 H53 0.9300 . ?
C54 C55 1.36(3) . ?
C54 H54 0.9300 . ?
C55 C56 1.43(3) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C61 C66 1.356(15) . ?
C61 C62 1.380(17) . ?
C62 C63 1.47(2) . ?
C62 H62 0.9300 . ?
C63 C64 1.34(2) . ?
C63 H63 0.9300 . ?
C64 C65 1.36(2) . ?
C64 H64 0.9300 . ?
C65 C66 1.425(15) . ?
C65 H65 0.9300 . ?
C66 H66 0.9300 . ?
C71 C76 1.378(15) . ?
C71 C72 1.378(14) . ?
C72 C73 1.365(14) . ?
C72 H72 0.9300 . ?
C73 C74 1.423(19) . ?
C73 H73 0.9300 . ?
C74 C75 1.34(2) . ?
C74 H74 0.9300 . ?
C75 C76 1.405(18) . ?
C75 H75 0.9300 . ?
C76 H76 0.9300 . ?
C81 C82 1.352(17) . ?
C81 C86 1.420(15) . ?
C82 C83 1.467(18) . ?
C82 H82 0.9300 . ?
C83 C84 1.41(2) . ?
C83 H83 0.9300 . ?
C84 C85 1.36(2) . ?
C84 H84 0.9300 . ?
C85 C86 1.341(18) . ?
C85 H85 0.9300 . ?
C91 C92 1.391(15) . ?
C91 C96 1.398(14) . ?
C92 C93 1.43(2) . ?
C92 H92 0.9300 . ?
C93 C94 1.33(2) . ?
C93 H93 0.9300 . ?
C94 C95 1.40(2) . ?
C94 H94 0.9300 . ?
C95 C96 1.423(19) . ?
C95 H95 0.9300 . ?
C96 H96 0.9300 . ?
C101 C102 1.352(16) . ?
C101 C106 1.405(15) . ?
C102 C103 1.422(19) . ?
C102 H102 0.9300 . ?
C103 C104 1.44(2) . ?
C103 H103 0.9300 . ?
C104 C105 1.35(2) . ?
C104 H104 0.9300 . ?
C105 C106 1.37(2) . ?
C105 H105 0.9300 . ?
C106 H106 0.9300 . ?
C111 C112 1.392(15) . ?
C111 C116 1.423(16) . ?
C112 C113 1.41(2) . ?
C112 H112 0.9300 . ?
C113 C114 1.36(2) . ?
C113 H113 0.9300 . ?
C114 C115 1.33(2) . ?
C114 H114 0.9300 . ?
C115 C116 1.39(2) . ?
C115 H115 0.9300 . ?
C116 H116 0.9300 . ?
C121 C126 1.396(15) . ?
C121 C122 1.405(15) . ?
C122 C123 1.377(16) . ?
C122 H122 0.9300 . ?
C123 C124 1.346(19) . ?
C123 H123 0.9300 . ?
C124 C125 1.399(19) . ?
C124 H124 0.9300 . ?
C125 C126 1.388(15) . ?
C125 H125 0.9300 . ?
C126 H126 0.9300 . ?
P5 F5 1.548(17) . ?
P5 F2 1.570(18) . ?
P5 F1 1.571(13) . ?
P5 F4 1.575(17) . ?
P5 F3 1.580(13) . ?
P5 F6 1.625(19) . ?
