#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/50/1515027.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_1515027
loop_
_publ_author_name
'Lin, Tzu-Pin'
'Nelson, Ryan C.'
'Wu, Tianpin'
'Miller, Jeffrey T.'
'Gabbaï, François P.'
_publ_section_title
;
 Lewis acid enhancement by juxtaposition with an onium ion: the case of a
 mercury stibonium complex
;
_journal_issue                   4
_journal_name_full               'Chemical Science'
_journal_page_first              1128
_journal_paper_doi               10.1039/c2sc00904h
_journal_volume                  3
_journal_year                    2012
_chemical_formula_sum            'C68 H52 F2 Hg2 O Sb2'
_chemical_formula_weight         1567.78
_chemical_name_common            2-F
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.184(7)
_cell_angle_beta                 95.058(7)
_cell_angle_gamma                102.804(7)
_cell_formula_units_Z            2
_cell_length_a                   12.689(8)
_cell_length_b                   13.651(9)
_cell_length_c                   16.060(10)
_cell_measurement_temperature    110(2)
_cell_volume                     2672(3)
_computing_cell_refinement       'Bruker APEX'
_computing_data_collection       'Bruker APEX'
_computing_data_reduction        'Bruker APEX'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0523
_diffrn_reflns_av_sigmaI/netI    0.0601
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23715
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    6.780
_exptl_absorpt_correction_T_max  0.5805
_exptl_absorpt_correction_T_min  0.4295
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.949
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.903
_refine_diff_density_min         -0.985
_refine_diff_density_rms         0.189
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         8404
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0352
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0450P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0832
_refine_ls_wR_factor_ref         0.0907
_reflns_number_gt                6849
_reflns_number_total             8404
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2sc00904h.txt
_cod_data_source_block           2-F
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1515027
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Hg2 Hg 0.56432(2) 0.93972(2) 0.256901(18) 0.02367(10) Uani 1 1 d .
Hg1 Hg 0.32994(2) 0.80912(2) 0.389341(17) 0.02222(9) Uani 1 1 d .
Sb2 Sb 0.75874(4) 1.11207(4) 0.34319(3) 0.02111(13) Uani 1 1 d .
Sb1 Sb 0.23133(4) 0.73983(4) 0.20554(3) 0.02137(13) Uani 1 1 d .
F1 F 0.3898(3) 0.7929(3) 0.1819(3) 0.0290(10) Uani 1 1 d .
F2 F 0.6977(3) 1.1693(3) 0.4501(2) 0.0305(10) Uani 1 1 d .
C11 C 0.3454(6) 0.9567(5) 0.3653(5) 0.0231(17) Uani 1 1 d .
C1 C 0.3261(6) 0.6573(5) 0.3938(5) 0.0225(17) Uani 1 1 d .
C19 C 0.2925(6) 0.9769(5) 0.2887(5) 0.0215(17) Uani 1 1 d .
C20 C 0.2952(7) 1.0795(6) 0.2782(5) 0.0290(19) Uani 1 1 d .
C18 C 0.2332(6) 0.9002(5) 0.2225(4) 0.0232(17) Uani 1 1 d .
C33 C 0.6222(6) 0.8498(5) 0.3355(4) 0.0228(17) Uani 1 1 d .
C40 C 0.7696(6) 0.9933(6) 0.4181(4) 0.0218(17) Uani 1 1 d .
C52 C 0.5300(6) 1.2204(7) 0.1654(5) 0.034(2) Uani 1 1 d .
C26 C 0.2460(7) 0.7154(6) 0.0158(5) 0.0293(19) Uani 1 1 d .
H26A H 0.3213 0.7428 0.0336 0.035 Uiso 1 1 calc R
C2 C 0.3506(6) 0.6272(6) 0.4715(5) 0.0260(18) Uani 1 1 d .
H2A H 0.3528 0.6723 0.5221 0.031 Uiso 1 1 calc R
C8 C 0.2925(6) 0.6107(5) 0.2366(5) 0.0224(17) Uani 1 1 d .
C21 C 0.1741(6) 0.6989(5) 0.0751(4) 0.0231(17) Uani 1 1 d .
C9 C 0.3188(6) 0.5894(5) 0.3191(5) 0.0221(17) Uani 1 1 d .
C59 C 0.8110(6) 1.0402(6) 0.2304(5) 0.0246(17) Uani 1 1 d .
C41 C 0.7124(6) 0.8905(6) 0.4004(5) 0.0269(18) Uani 1 1 d .
C51 C 0.5703(6) 1.1495(6) 0.2109(5) 0.0257(18) Uani 1 1 d .
C38 C 0.8787(6) 0.9603(6) 0.5376(5) 0.0280(18) Uani 1 1 d .
H38A H 0.9339 0.9852 0.5842 0.034 Uiso 1 1 calc R
C53 C 0.9035(6) 1.2292(6) 0.3783(5) 0.0286(18) Uani 1 1 d .
C43 C 0.5252(6) 1.0443(6) 0.1834(5) 0.0285(19) Uani 1 1 d .
C60 C 0.8001(6) 1.0774(6) 0.1538(5) 0.0304(19) Uani 1 1 d .
H60A H 0.7658 1.1321 0.1500 0.037 Uiso 1 1 calc R
C48 C 0.6364(7) 1.3604(6) 0.2651(5) 0.037(2) Uani 1 1 d .
H48A H 0.6556 1.4310 0.2859 0.044 Uiso 1 1 calc R
C31 C -0.0623(6) 0.5565(7) 0.2884(6) 0.041(2) Uani 1 1 d .
H31A H -0.0926 0.4860 0.2871 0.049 Uiso 1 1 calc R
C27 C 0.0804(6) 0.6910(6) 0.2583(4) 0.0238(17) Uani 1 1 d .
C50 C 0.6526(6) 1.1912(6) 0.2799(4) 0.0232(17) Uani 1 1 d .
C37 C 0.8283(6) 0.8602(6) 0.5212(5) 0.0298(19) Uani 1 1 d .
H37A H 0.8494 0.8147 0.5560 0.036 Uiso 1 1 calc R
C12 C 0.4035(6) 1.0367(6) 0.4230(5) 0.0277(18) Uani 1 1 d .
H12A H 0.4367 1.0236 0.4745 0.033 Uiso 1 1 calc R
C3 C 0.3719(6) 0.5329(6) 0.4761(5) 0.0262(18) Uani 1 1 d .
H3A H 0.3886 0.5139 0.5297 0.031 Uiso 1 1 calc R
C34 C 0.5749(6) 0.7472(6) 0.3260(5) 0.0270(18) Uani 1 1 d .
H34A H 0.5163 0.7197 0.2824 0.032 Uiso 1 1 calc R
C54 C 0.9791(6) 1.2458(6) 0.3198(5) 0.032(2) Uani 1 1 d .
H54A H 0.9692 1.2012 0.2679 0.039 Uiso 1 1 calc R
C35 C 0.6086(6) 0.6823(6) 0.3768(5) 0.034(2) Uani 1 1 d .
H35A H 0.5731 0.6122 0.3677 0.040 Uiso 1 1 calc R
C10 C 0.3436(6) 0.4934(6) 0.3250(5) 0.0278(18) Uani 1 1 d .
C14 C 0.3634(7) 1.1580(6) 0.3400(5) 0.032(2) Uani 1 1 d .
H14A H 0.3715 1.2268 0.3315 0.038 Uiso 1 1 calc R
C25 C 0.2081(8) 0.6920(6) -0.0698(5) 0.039(2) Uani 1 1 d .
H25A H 0.2571 0.7053 -0.1107 0.047 Uiso 1 1 calc R
C28 C 0.0278(7) 0.7600(6) 0.2951(5) 0.033(2) Uani 1 1 d .
H28A H 0.0596 0.8306 0.2994 0.040 Uiso 1 1 calc R
C13 C 0.4157(6) 1.1378(6) 0.4088(5) 0.033(2) Uani 1 1 d .
H13A H 0.4612 1.1915 0.4482 0.039 Uiso 1 1 calc R
C61 C 0.8389(7) 1.0349(7) 0.0831(5) 0.041(2) Uani 1 1 d .
H61A H 0.8341 1.0625 0.0318 0.049 Uiso 1 1 calc R
C42 C 0.7452(6) 0.8229(6) 0.4533(5) 0.0261(18) Uani 1 1 d .
C58 C 0.9197(7) 1.2955(6) 0.4543(5) 0.035(2) Uani 1 1 d .
H58A H 0.8689 1.2859 0.4943 0.042 Uiso 1 1 calc R
C39 C 0.8484(6) 1.0265(6) 0.4852(5) 0.0272(18) Uani 1 1 d .
H39A H 0.8839 1.0966 0.4967 0.033 Uiso 1 1 calc R
C36 C 0.6927(6) 0.7188(6) 0.4399(5) 0.0293(19) Uani 1 1 d .
H36A H 0.7158 0.6743 0.4747 0.035 Uiso 1 1 calc R
C4 C 0.3691(6) 0.4664(6) 0.4041(5) 0.0311(19) Uani 1 1 d .
H4A H 0.3845 0.4020 0.4079 0.037 Uiso 1 1 calc R
C47 C 0.5635(6) 1.3257(6) 0.1957(5) 0.033(2) Uani 1 1 d .
H47A H 0.5345 1.3723 0.1668 0.039 Uiso 1 1 calc R
C15 C 0.2341(8) 1.1020(7) 0.2096(5) 0.042(2) Uani 1 1 d .
H15A H 0.2352 1.1707 0.2042 0.050 Uiso 1 1 calc R
C44 C 0.4545(7) 1.0148(7) 0.1116(5) 0.038(2) Uani 1 1 d .
H44A H 0.4265 0.9442 0.0933 0.045 Uiso 1 1 calc R
C49 C 0.6849(6) 1.2940(6) 0.3076(5) 0.0307(19) Uani 1 1 d .
H49A H 0.7390 1.3200 0.3546 0.037 Uiso 1 1 calc R
C46 C 0.4566(7) 1.1837(7) 0.0910(5) 0.040(2) Uani 1 1 d .
H46A H 0.4320 1.2306 0.0597 0.049 Uiso 1 1 calc R
C17 C 0.1728(7) 0.9249(6) 0.1566(5) 0.035(2) Uani 1 1 d .
H17A H 0.1303 0.8725 0.1146 0.042 Uiso 1 1 calc R
C64 C 0.8598(6) 0.9600(6) 0.2345(5) 0.035(2) Uani 1 1 d .
H64A H 0.8679 0.9340 0.2863 0.042 Uiso 1 1 calc R
C22 C 0.0665(7) 0.6565(7) 0.0497(5) 0.044(2) Uani 1 1 d .
H22A H 0.0174 0.6428 0.0904 0.053 Uiso 1 1 calc R
C32 C 0.0353(6) 0.5885(6) 0.2571(5) 0.0307(19) Uani 1 1 d .
H32A H 0.0721 0.5397 0.2343 0.037 Uiso 1 1 calc R
C7 C 0.2930(6) 0.5432(6) 0.1665(5) 0.033(2) Uani 1 1 d .
H7A H 0.2755 0.5598 0.1121 0.039 Uiso 1 1 calc R
C5 C 0.3440(6) 0.4245(6) 0.2502(5) 0.034(2) Uani 1 1 d .
H5A H 0.3619 0.3611 0.2546 0.040 Uiso 1 1 calc R
C57 C 1.0106(7) 1.3753(6) 0.4705(6) 0.043(2) Uani 1 1 d .
H57A H 1.0234 1.4192 0.5230 0.051 Uiso 1 1 calc R
C16 C 0.1727(8) 1.0258(7) 0.1505(5) 0.045(2) Uani 1 1 d .
H16A H 0.1297 1.0415 0.1048 0.054 Uiso 1 1 calc R
C29 C -0.0688(7) 0.7289(7) 0.3256(6) 0.047(2) Uani 1 1 d .
H29A H -0.1044 0.7779 0.3497 0.056 Uiso 1 1 calc R
C24 C 0.1008(8) 0.6501(7) -0.0948(5) 0.046(2) Uani 1 1 d .
H24A H 0.0755 0.6323 -0.1534 0.056 Uiso 1 1 calc R
C30 C -0.1155(7) 0.6270(7) 0.3216(6) 0.042(2) Uani 1 1 d .
H30A H -0.1839 0.6056 0.3416 0.051 Uiso 1 1 calc R
C55 C 1.0671(6) 1.3266(6) 0.3380(6) 0.040(2) Uani 1 1 d .
H55A H 1.1184 1.3375 0.2985 0.047 Uiso 1 1 calc R
C45 C 0.4208(7) 1.0827(7) 0.0633(6) 0.048(3) Uani 1 1 d .
H45A H 0.3736 1.0588 0.0121 0.057 Uiso 1 1 calc R
C56 C 1.0829(8) 1.3923(7) 0.4121(7) 0.051(3) Uani 1 1 d .
H56A H 1.1434 1.4493 0.4232 0.061 Uiso 1 1 calc R
C6 C 0.3191(7) 0.4497(6) 0.1733(5) 0.039(2) Uani 1 1 d .
H6A H 0.3192 0.4038 0.1237 0.047 Uiso 1 1 calc R
C63 C 0.8969(8) 0.9172(8) 0.1635(6) 0.053(3) Uani 1 1 d .
H63A H 0.9315 0.8626 0.1672 0.064 Uiso 1 1 calc R
C62 C 0.8845(8) 0.9526(8) 0.0875(6) 0.053(3) Uani 1 1 d .
H62A H 0.9072 0.9206 0.0385 0.064 Uiso 1 1 calc R
C23 C 0.0287(8) 0.6332(7) -0.0369(6) 0.054(3) Uani 1 1 d .
H23A H -0.0465 0.6058 -0.0552 0.064 Uiso 1 1 calc R
C68 C 0.672(2) 1.6717(16) 0.0329(11) 0.205(7) Uani 1 1 d U
H68A H 0.7024 1.7349 0.0103 0.246 Uiso 1 1 calc R
H68B H 0.6182 1.6247 -0.0106 0.246 Uiso 1 1 calc R
C65 C 0.673(3) 1.5423(13) 0.0909(17) 0.27(2) Uani 1 1 d .
H65A H 0.6217 1.5010 0.0430 0.329 Uiso 1 1 calc R
H65B H 0.7081 1.4975 0.1224 0.329 Uiso 1 1 calc R
C66 C 0.626(2) 1.6005(18) 0.1408(14) 0.231(15) Uani 1 1 d .
H66A H 0.6660 1.6171 0.1986 0.277 Uiso 1 1 calc R
H66B H 0.5499 1.5657 0.1440 0.277 Uiso 1 1 calc R
O1 O 0.7566(19) 1.6251(18) 0.0625(12) 0.270(8) Uani 1 1 d U
C67 C 0.631(2) 1.6900(18) 0.1028(12) 0.218(8) Uani 1 1 d U
H67A H 0.5579 1.7024 0.0913 0.261 Uiso 1 1 calc R
H67B H 0.6785 1.7500 0.1398 0.261 Uiso 1 1 calc R
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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.3894 9.2266 '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'
O O 0.0106 0.0060 '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
C33 Hg2 C43 172.5(3) . .
C33 Hg2 F1 95.2(2) . .
C43 Hg2 F1 92.3(2) . .
C33 Hg2 Sb2 86.1(2) . .
C43 Hg2 Sb2 86.5(2) . .
F1 Hg2 Sb2 178.15(9) . .
C11 Hg1 C1 170.0(3) . .
C11 Hg1 F2 100.8(2) . 2_676
C1 Hg1 F2 88.8(2) . 2_676
C11 Hg1 Sb1 87.3(2) . .
C1 Hg1 Sb1 85.8(2) . .
F2 Hg1 Sb1 148.76(10) 2_676 .
F2 Sb2 C53 88.6(2) . .
F2 Sb2 C40 81.2(2) . .
C53 Sb2 C40 107.4(3) . .
F2 Sb2 C50 82.8(2) . .
C53 Sb2 C50 101.5(3) . .
C40 Sb2 C50 146.4(3) . .
F2 Sb2 C59 174.9(2) . .
C53 Sb2 C59 96.4(3) . .
C40 Sb2 C59 96.1(3) . .
C50 Sb2 C59 97.3(3) . .
F2 Sb2 Hg2 102.25(12) . .
C53 Sb2 Hg2 168.5(2) . .
C40 Sb2 Hg2 78.37(19) . .
C50 Sb2 Hg2 76.3(2) . .
C59 Sb2 Hg2 72.92(18) . .
F1 Sb1 C21 92.5(2) . .
F1 Sb1 C18 82.5(2) . .
C21 Sb1 C18 100.6(3) . .
F1 Sb1 C27 167.7(2) . .
C21 Sb1 C27 99.7(3) . .
C18 Sb1 C27 96.2(3) . .
F1 Sb1 C8 82.8(2) . .
C21 Sb1 C8 103.4(3) . .
C18 Sb1 C8 152.4(3) . .
C27 Sb1 C8 93.2(3) . .
F1 Sb1 Hg1 83.12(12) . .
C21 Sb1 Hg1 175.5(2) . .
C18 Sb1 Hg1 77.64(19) . .
C27 Sb1 Hg1 84.67(19) . .
C8 Sb1 Hg1 77.5(2) . .
Sb1 F1 Hg2 136.34(19) . .
Sb2 F2 Hg1 155.3(2) . 2_676
C12 C11 C19 118.8(7) . .
C12 C11 Hg1 120.6(6) . .
C19 C11 Hg1 120.5(5) . .
C2 C1 C9 119.6(7) . .
C2 C1 Hg1 118.9(5) . .
C9 C1 Hg1 120.5(5) . .
C18 C19 C20 116.8(7) . .
C18 C19 C11 124.1(6) . .
C20 C19 C11 119.0(7) . .
C15 C20 C19 120.8(7) . .
C15 C20 C14 121.6(7) . .
C19 C20 C14 117.6(7) . .
C17 C18 C19 120.5(7) . .
C17 C18 Sb1 111.8(5) . .
C19 C18 Sb1 127.6(5) . .
C34 C33 C41 117.9(7) . .
C34 C33 Hg2 120.1(5) . .
C41 C33 Hg2 122.0(5) . .
C39 C40 C41 120.9(7) . .
C39 C40 Sb2 111.5(5) . .
C41 C40 Sb2 127.5(5) . .
C46 C52 C47 120.9(8) . .
C46 C52 C51 119.2(8) . .
C47 C52 C51 119.9(7) . .
C21 C26 C25 120.0(8) . .
C21 C26 H26A 120.0 . .
C25 C26 H26A 120.0 . .
C3 C2 C1 121.0(7) . .
C3 C2 H2A 119.5 . .
C1 C2 H2A 119.5 . .
C7 C8 C9 121.4(7) . .
C7 C8 Sb1 112.1(5) . .
C9 C8 Sb1 126.1(5) . .
C22 C21 C26 120.0(7) . .
C22 C21 Sb1 120.1(6) . .
C26 C21 Sb1 119.9(6) . .
C1 C9 C8 124.7(7) . .
C1 C9 C10 118.5(7) . .
C8 C9 C10 116.7(7) . .
C64 C59 C60 118.9(7) . .
C64 C59 Sb2 120.3(6) . .
C60 C59 Sb2 120.7(6) . .
C40 C41 C42 116.9(7) . .
C40 C41 C33 124.9(7) . .
C42 C41 C33 118.1(7) . .
C50 C51 C43 125.5(7) . .
C50 C51 C52 116.7(7) . .
C43 C51 C52 117.8(7) . .
C37 C38 C39 119.2(7) . .
C37 C38 H38A 120.4 . .
C39 C38 H38A 120.4 . .
C58 C53 C54 119.3(7) . .
C58 C53 Sb2 121.5(6) . .
C54 C53 Sb2 118.8(6) . .
C44 C43 C51 119.2(7) . .
C44 C43 Hg2 121.6(6) . .
C51 C43 Hg2 119.1(5) . .
C61 C60 C59 120.6(8) . .
C61 C60 H60A 119.7 . .
C59 C60 H60A 119.7 . .
C47 C48 C49 121.5(8) . .
C47 C48 H48A 119.3 . .
C49 C48 H48A 119.3 . .
C30 C31 C32 119.7(8) . .
C30 C31 H31A 120.2 . .
C32 C31 H31A 120.2 . .
C28 C27 C32 118.2(7) . .
C28 C27 Sb1 121.4(6) . .
C32 C27 Sb1 120.4(5) . .
C49 C50 C51 122.0(7) . .
C49 C50 Sb2 110.4(5) . .
C51 C50 Sb2 127.0(6) . .
C38 C37 C42 120.8(8) . .
C38 C37 H37A 119.6 . .
C42 C37 H37A 119.6 . .
C11 C12 C13 122.1(7) . .
C11 C12 H12A 118.9 . .
C13 C12 H12A 118.9 . .
C4 C3 C2 120.7(7) . .
C4 C3 H3A 119.6 . .
C2 C3 H3A 119.6 . .
C33 C34 C35 123.4(7) . .
C33 C34 H34A 118.3 . .
C35 C34 H34A 118.3 . .
C55 C54 C53 119.6(8) . .
C55 C54 H54A 120.2 . .
C53 C54 H54A 120.2 . .
C36 C35 C34 120.1(7) . .
C36 C35 H35A 119.9 . .
C34 C35 H35A 119.9 . .
C4 C10 C9 120.1(7) . .
C4 C10 C5 119.4(7) . .
C9 C10 C5 120.5(7) . .
C13 C14 C20 122.1(7) . .
C13 C14 H14A 118.9 . .
C20 C14 H14A 118.9 . .
C24 C25 C26 119.7(8) . .
C24 C25 H25A 120.1 . .
C26 C25 H25A 120.1 . .
C29 C28 C27 121.2(8) . .
C29 C28 H28A 119.4 . .
C27 C28 H28A 119.4 . .
C14 C13 C12 119.7(8) . .
C14 C13 H13A 120.1 . .
C12 C13 H13A 120.1 . .
C62 C61 C60 119.8(8) . .
C62 C61 H61A 120.1 . .
C60 C61 H61A 120.1 . .
C37 C42 C36 119.1(7) . .
C37 C42 C41 120.3(7) . .
C36 C42 C41 120.6(7) . .
C57 C58 C53 119.0(8) . .
C57 C58 H58A 120.5 . .
C53 C58 H58A 120.5 . .
C40 C39 C38 121.9(7) . .
C40 C39 H39A 119.1 . .
C38 C39 H39A 119.1 . .
C35 C36 C42 119.8(8) . .
C35 C36 H36A 120.1 . .
C42 C36 H36A 120.1 . .
C3 C4 C10 120.0(7) . .
C3 C4 H4A 120.0 . .
C10 C4 H4A 120.0 . .
C48 C47 C52 120.4(8) . .
C48 C47 H47A 119.8 . .
C52 C47 H47A 119.8 . .
C16 C15 C20 120.3(8) . .
C16 C15 H15A 119.9 . .
C20 C15 H15A 119.9 . .
C43 C44 C45 123.5(8) . .
C43 C44 H44A 118.3 . .
C45 C44 H44A 118.3 . .
C50 C49 C48 119.0(7) . .
C50 C49 H49A 120.5 . .
C48 C49 H49A 120.5 . .
C45 C46 C52 121.2(8) . .
C45 C46 H46A 119.4 . .
C52 C46 H46A 119.4 . .
C18 C17 C16 121.0(8) . .
C18 C17 H17A 119.5 . .
C16 C17 H17A 119.5 . .
C59 C64 C63 120.2(8) . .
C59 C64 H64A 119.9 . .
C63 C64 H64A 119.9 . .
C21 C22 C23 119.6(8) . .
C21 C22 H22A 120.2 . .
C23 C22 H22A 120.2 . .
C31 C32 C27 120.9(8) . .
C31 C32 H32A 119.6 . .
C27 C32 H32A 119.6 . .
C8 C7 C6 121.2(8) . .
C8 C7 H7A 119.4 . .
C6 C7 H7A 119.4 . .
C6 C5 C10 119.9(7) . .
C6 C5 H5A 120.0 . .
C10 C5 H5A 120.0 . .
C56 C57 C58 121.2(8) . .
C56 C57 H57A 119.4 . .
C58 C57 H57A 119.4 . .
C15 C16 C17 120.3(8) . .
C15 C16 H16A 119.9 . .
C17 C16 H16A 119.9 . .
C28 C29 C30 120.6(8) . .
C28 C29 H29A 119.7 . .
C30 C29 H29A 119.7 . .
C25 C24 C23 120.9(8) . .
C25 C24 H24A 119.6 . .
C23 C24 H24A 119.6 . .
C31 C30 C29 119.4(8) . .
C31 C30 H30A 120.3 . .
C29 C30 H30A 120.3 . .
C54 C55 C56 121.3(8) . .
C54 C55 H55A 119.4 . .
C56 C55 H55A 119.4 . .
C46 C45 C44 118.7(8) . .
C46 C45 H45A 120.7 . .
C44 C45 H45A 120.7 . .
C55 C56 C57 119.5(8) . .
C55 C56 H56A 120.2 . .
C57 C56 H56A 120.2 . .
C5 C6 C7 120.3(8) . .
C5 C6 H6A 119.9 . .
C7 C6 H6A 119.9 . .
C62 C63 C64 121.0(9) . .
C62 C63 H63A 119.5 . .
C64 C63 H63A 119.5 . .
C63 C62 C61 119.5(9) . .
C63 C62 H62A 120.3 . .
C61 C62 H62A 120.3 . .
C24 C23 C22 119.6(9) . .
C24 C23 H23A 120.2 . .
C22 C23 H23A 120.2 . .
C67 C68 O1 100.0(17) . .
C67 C68 H68A 111.8 . .
O1 C68 H68A 111.8 . .
C67 C68 H68B 111.8 . .
O1 C68 H68B 111.8 . .
H68A C68 H68B 109.5 . .
C66 C65 O1 98.6(18) . .
C66 C65 H65A 112.0 . .
O1 C65 H65A 112.0 . .
C66 C65 H65B 112.0 . .
O1 C65 H65B 112.0 . .
H65A C65 H65B 109.7 . .
C65 C66 C67 105.1(17) . .
C65 C66 H66A 110.7 . .
C67 C66 H66A 110.7 . .
C65 C66 H66B 110.7 . .
C67 C66 H66B 110.7 . .
H66A C66 H66B 108.8 . .
C68 O1 C65 91(2) . .
C68 C67 C66 104.5(17) . .
C68 C67 H67A 110.9 . .
C66 C67 H67A 110.9 . .
C68 C67 H67B 110.9 . .
C66 C67 H67B 110.9 . .
H67A C67 H67B 108.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Hg2 C33 2.064(7) .
Hg2 C43 2.076(8) .
Hg2 F1 2.708(4) .
Hg2 Sb2 3.0905(14) .
Hg1 C11 2.069(7) .
Hg1 C1 2.073(7) .
Hg1 F2 2.622(4) 2_676
Hg1 Sb1 3.0495(18) .
Sb2 F2 2.080(4) .
Sb2 C53 2.130(8) .
Sb2 C40 2.157(7) .
Sb2 C50 2.167(7) .
Sb2 C59 2.177(7) .
Sb1 F1 2.066(4) .
Sb1 C21 2.118(7) .
Sb1 C18 2.166(7) .
Sb1 C27 2.166(7) .
Sb1 C8 2.172(7) .
F2 Hg1 2.622(4) 2_676
C11 C12 1.366(10) .
C11 C19 1.435(10) .
C1 C2 1.391(10) .
C1 C9 1.404(10) .
C19 C18 1.423(10) .
C19 C20 1.425(10) .
C20 C15 1.396(11) .
C20 C14 1.433(11) .
C18 C17 1.372(11) .
C33 C34 1.380(10) .
C33 C41 1.439(10) .
C40 C39 1.361(10) .
C40 C41 1.410(10) .
C52 C46 1.412(12) .
C52 C47 1.415(11) .
C52 C51 1.436(11) .
C26 C21 1.380(10) .
C26 C25 1.389(11) .
C26 H26A 0.9500 .
C2 C3 1.382(10) .
C2 H2A 0.9500 .
C8 C7 1.365(10) .
C8 C9 1.419(10) .
C21 C22 1.363(11) .
C9 C10 1.427(10) .
C59 C64 1.378(11) .
C59 C60 1.395(10) .
C41 C42 1.432(11) .
C51 C50 1.421(10) .
C51 C43 1.421(11) .
C38 C37 1.356(11) .
C38 C39 1.401(10) .
C38 H38A 0.9500 .
C53 C58 1.397(11) .
C53 C54 1.403(11) .
C43 C44 1.355(11) .
C60 C61 1.390(11) .
C60 H60A 0.9500 .
C48 C47 1.346(11) .
C48 C49 1.412(11) .
C48 H48A 0.9500 .
C31 C30 1.375(11) .
C31 C32 1.380(10) .
C31 H31A 0.9500 .
C27 C28 1.375(10) .
C27 C32 1.386(10) .
C50 C49 1.375(10) .
C37 C42 1.407(11) .
C37 H37A 0.9500 .
C12 C13 1.403(11) .
C12 H12A 0.9500 .
C3 C4 1.371(11) .
C3 H3A 0.9500 .
C34 C35 1.386(11) .
C34 H34A 0.9500 .
C54 C55 1.365(10) .
C54 H54A 0.9500 .
C35 C36 1.364(11) .
C35 H35A 0.9500 .
C10 C4 1.396(11) .
C10 C5 1.431(11) .
C14 C13 1.329(11) .
C14 H14A 0.9500 .
C25 C24 1.359(12) .
C25 H25A 0.9500 .
C28 C29 1.360(11) .
C28 H28A 0.9500 .
C13 H13A 0.9500 .
C61 C62 1.379(12) .
C61 H61A 0.9500 .
C42 C36 1.409(11) .
C58 C57 1.380(11) .
C58 H58A 0.9500 .
C39 H39A 0.9500 .
C36 H36A 0.9500 .
C4 H4A 0.9500 .
C47 H47A 0.9500 .
C15 C16 1.361(11) .
C15 H15A 0.9500 .
C44 C45 1.393(12) .
C44 H44A 0.9500 .
C49 H49A 0.9500 .
C46 C45 1.355(12) .
C46 H46A 0.9500 .
C17 C16 1.393(11) .
C17 H17A 0.9500 .
C64 C63 1.384(11) .
C64 H64A 0.9500 .
C22 C23 1.404(12) .
C22 H22A 0.9500 .
C32 H32A 0.9500 .
C7 C6 1.402(11) .
C7 H7A 0.9500 .
C5 C6 1.353(11) .
C5 H5A 0.9500 .
C57 C56 1.373(13) .
C57 H57A 0.9500 .
C16 H16A 0.9500 .
C29 C30 1.377(12) .
C29 H29A 0.9500 .
C24 C23 1.365(12) .
C24 H24A 0.9500 .
C30 H30A 0.9500 .
C55 C56 1.368(12) .
C55 H55A 0.9500 .
C45 H45A 0.9500 .
C56 H56A 0.9500 .
C6 H6A 0.9500 .
C63 C62 1.377(12) .
C63 H63A 0.9500 .
C62 H62A 0.9500 .
C23 H23A 0.9500 .
C68 C67 1.297(19) .
C68 O1 1.44(2) .
C68 H68A 0.9900 .
C68 H68B 0.9900 .
C65 C66 1.33(2) .
C65 O1 1.51(3) .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C66 C67 1.42(2) .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C67 H67A 0.9900 .
C67 H67B 0.9900 .
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
C33 Hg2 Sb2 F2 -85.1(2) . .
C43 Hg2 Sb2 F2 96.1(2) . .
F1 Hg2 Sb2 F2 49(3) . .
C33 Hg2 Sb2 C53 114.8(10) . .
C43 Hg2 Sb2 C53 -64.0(11) . .
F1 Hg2 Sb2 C53 -112(3) . .
C33 Hg2 Sb2 C40 -6.9(3) . .
C43 Hg2 Sb2 C40 174.4(3) . .
F1 Hg2 Sb2 C40 127(3) . .
C33 Hg2 Sb2 C50 -164.5(3) . .
C43 Hg2 Sb2 C50 16.7(3) . .
F1 Hg2 Sb2 C50 -31(3) . .
C33 Hg2 Sb2 C59 93.3(3) . .
C43 Hg2 Sb2 C59 -85.5(3) . .
F1 Hg2 Sb2 C59 -133(3) . .
C11 Hg1 Sb1 F1 72.1(2) . .
C1 Hg1 Sb1 F1 -100.6(2) . .
F2 Hg1 Sb1 F1 178.7(2) 2_676 .
C11 Hg1 Sb1 C21 55(3) . .
C1 Hg1 Sb1 C21 -117(3) . .
F2 Hg1 Sb1 C21 162(3) 2_676 .
C11 Hg1 Sb1 C18 -11.7(3) . .
C1 Hg1 Sb1 C18 175.6(3) . .
F2 Hg1 Sb1 C18 94.9(3) 2_676 .
C11 Hg1 Sb1 C27 -109.3(3) . .
C1 Hg1 Sb1 C27 78.1(3) . .
F2 Hg1 Sb1 C27 -2.7(3) 2_676 .
C11 Hg1 Sb1 C8 156.2(3) . .
C1 Hg1 Sb1 C8 -16.4(3) . .
F2 Hg1 Sb1 C8 -97.2(3) 2_676 .
C21 Sb1 F1 Hg2 148.6(3) . .
C18 Sb1 F1 Hg2 48.2(3) . .
C27 Sb1 F1 Hg2 -36.5(12) . .
C8 Sb1 F1 Hg2 -108.3(3) . .
Hg1 Sb1 F1 Hg2 -30.1(2) . .
C33 Hg2 F1 Sb1 87.7(3) . .
C43 Hg2 F1 Sb1 -93.4(3) . .
Sb2 Hg2 F1 Sb1 -46(3) . .
C53 Sb2 F2 Hg1 -84.6(5) . 2_676
C40 Sb2 F2 Hg1 23.3(5) . 2_676
C50 Sb2 F2 Hg1 173.6(5) . 2_676
C59 Sb2 F2 Hg1 82(3) . 2_676
Hg2 Sb2 F2 Hg1 99.3(5) . 2_676
C1 Hg1 C11 C12 -123.3(15) . .
F2 Hg1 C11 C12 40.3(6) 2_676 .
Sb1 Hg1 C11 C12 -170.1(6) . .
C1 Hg1 C11 C19 58.6(18) . .
F2 Hg1 C11 C19 -137.8(5) 2_676 .
Sb1 Hg1 C11 C19 11.8(5) . .
C11 Hg1 C1 C2 141.4(15) . .
F2 Hg1 C1 C2 -22.5(6) 2_676 .
Sb1 Hg1 C1 C2 -171.7(6) . .
C11 Hg1 C1 C9 -27.0(19) . .
F2 Hg1 C1 C9 169.1(6) 2_676 .
Sb1 Hg1 C1 C9 19.9(5) . .
C12 C11 C19 C18 177.6(7) . .
Hg1 C11 C19 C18 -4.4(9) . .
C12 C11 C19 C20 -4.7(10) . .
Hg1 C11 C19 C20 173.4(5) . .
C18 C19 C20 C15 5.7(11) . .
C11 C19 C20 C15 -172.2(7) . .
C18 C19 C20 C14 -173.8(7) . .
C11 C19 C20 C14 8.3(10) . .
C20 C19 C18 C17 -6.7(11) . .
C11 C19 C18 C17 171.1(7) . .
C20 C19 C18 Sb1 169.4(5) . .
C11 C19 C18 Sb1 -12.8(10) . .
F1 Sb1 C18 C17 107.6(6) . .
C21 Sb1 C18 C17 16.4(6) . .
C27 Sb1 C18 C17 -84.7(6) . .
C8 Sb1 C18 C17 166.0(6) . .
Hg1 Sb1 C18 C17 -167.9(6) . .
F1 Sb1 C18 C19 -68.8(6) . .
C21 Sb1 C18 C19 -160.0(6) . .
C27 Sb1 C18 C19 98.9(7) . .
C8 Sb1 C18 C19 -10.4(10) . .
Hg1 Sb1 C18 C19 15.8(6) . .
C43 Hg2 C33 C34 -164(2) . .
F1 Hg2 C33 C34 7.6(6) . .
Sb2 Hg2 C33 C34 -173.7(6) . .
C43 Hg2 C33 C41 15(3) . .
F1 Hg2 C33 C41 -173.2(5) . .
Sb2 Hg2 C33 C41 5.5(5) . .
F2 Sb2 C40 C39 -69.9(5) . .
C53 Sb2 C40 C39 15.9(6) . .
C50 Sb2 C40 C39 -132.5(6) . .
C59 Sb2 C40 C39 114.5(5) . .
Hg2 Sb2 C40 C39 -174.4(5) . .
F2 Sb2 C40 C41 115.4(6) . .
C53 Sb2 C40 C41 -158.9(6) . .
C50 Sb2 C40 C41 52.7(9) . .
C59 Sb2 C40 C41 -60.3(6) . .
Hg2 Sb2 C40 C41 10.9(6) . .
C9 C1 C2 C3 2.4(11) . .
Hg1 C1 C2 C3 -166.1(5) . .
F1 Sb1 C8 C7 -83.2(5) . .
C21 Sb1 C8 C7 7.7(6) . .
C18 Sb1 C8 C7 -141.5(6) . .
C27 Sb1 C8 C7 108.5(6) . .
Hg1 Sb1 C8 C7 -167.7(6) . .
F1 Sb1 C8 C9 103.3(6) . .
C21 Sb1 C8 C9 -165.8(6) . .
C18 Sb1 C8 C9 45.0(9) . .
C27 Sb1 C8 C9 -65.0(6) . .
Hg1 Sb1 C8 C9 18.8(5) . .
C25 C26 C21 C22 2.2(12) . .
C25 C26 C21 Sb1 -177.7(6) . .
F1 Sb1 C21 C22 -179.9(7) . .
C18 Sb1 C21 C22 -97.1(7) . .
C27 Sb1 C21 C22 1.2(7) . .
C8 Sb1 C21 C22 96.9(7) . .
Hg1 Sb1 C21 C22 -163(2) . .
F1 Sb1 C21 C26 0.0(6) . .
C18 Sb1 C21 C26 82.8(6) . .
C27 Sb1 C21 C26 -178.9(6) . .
C8 Sb1 C21 C26 -83.2(6) . .
Hg1 Sb1 C21 C26 17(3) . .
C2 C1 C9 C8 178.8(7) . .
Hg1 C1 C9 C8 -12.9(10) . .
C2 C1 C9 C10 -3.8(10) . .
Hg1 C1 C9 C10 164.5(5) . .
C7 C8 C9 C1 176.1(7) . .
Sb1 C8 C9 C1 -10.9(10) . .
C7 C8 C9 C10 -1.3(10) . .
Sb1 C8 C9 C10 171.7(5) . .
F2 Sb2 C59 C64 -73(3) . .
C53 Sb2 C59 C64 93.7(6) . .
C40 Sb2 C59 C64 -14.7(6) . .
C50 Sb2 C59 C64 -163.7(6) . .
Hg2 Sb2 C59 C64 -90.5(6) . .
F2 Sb2 C59 C60 110(3) . .
C53 Sb2 C59 C60 -83.4(6) . .
C40 Sb2 C59 C60 168.2(6) . .
C50 Sb2 C59 C60 19.1(6) . .
Hg2 Sb2 C59 C60 92.4(6) . .
C39 C40 C41 C42 -3.2(10) . .
Sb2 C40 C41 C42 171.1(5) . .
C39 C40 C41 C33 174.7(7) . .
Sb2 C40 C41 C33 -11.0(10) . .
C34 C33 C41 C40 179.8(7) . .
Hg2 C33 C41 C40 0.6(10) . .
C34 C33 C41 C42 -2.3(10) . .
Hg2 C33 C41 C42 178.5(5) . .
C46 C52 C51 C50 173.4(7) . .
C47 C52 C51 C50 -6.9(11) . .
C46 C52 C51 C43 -6.5(11) . .
C47 C52 C51 C43 173.2(7) . .
F2 Sb2 C53 C58 5.1(6) . .
C40 Sb2 C53 C58 -75.3(7) . .
C50 Sb2 C53 C58 87.5(6) . .
C59 Sb2 C53 C58 -173.7(6) . .
Hg2 Sb2 C53 C58 165.7(7) . .
F2 Sb2 C53 C54 -168.7(6) . .
C40 Sb2 C53 C54 110.9(6) . .
C50 Sb2 C53 C54 -86.3(6) . .
C59 Sb2 C53 C54 12.5(7) . .
Hg2 Sb2 C53 C54 -8.1(15) . .
C50 C51 C43 C44 -173.8(7) . .
C52 C51 C43 C44 6.2(11) . .
C50 C51 C43 Hg2 8.8(10) . .
C52 C51 C43 Hg2 -171.3(5) . .
C33 Hg2 C43 C44 155.1(19) . .
F1 Hg2 C43 C44 -16.7(7) . .
Sb2 Hg2 C43 C44 164.7(7) . .
C33 Hg2 C43 C51 -28(3) . .
F1 Hg2 C43 C51 160.7(6) . .
Sb2 Hg2 C43 C51 -17.9(6) . .
C64 C59 C60 C61 -0.7(11) . .
Sb2 C59 C60 C61 176.4(6) . .
F1 Sb1 C27 C28 77.3(13) . .
C21 Sb1 C27 C28 -107.9(7) . .
C18 Sb1 C27 C28 -6.0(7) . .
C8 Sb1 C27 C28 148.0(7) . .
Hg1 Sb1 C27 C28 70.9(6) . .
F1 Sb1 C27 C32 -101.6(11) . .
C21 Sb1 C27 C32 73.3(7) . .
C18 Sb1 C27 C32 175.1(6) . .
C8 Sb1 C27 C32 -30.9(7) . .
Hg1 Sb1 C27 C32 -108.0(6) . .
C43 C51 C50 C49 -173.8(7) . .
C52 C51 C50 C49 6.3(10) . .
C43 C51 C50 Sb2 15.7(11) . .
C52 C51 C50 Sb2 -164.2(5) . .
F2 Sb2 C50 C49 62.9(5) . .
C53 Sb2 C50 C49 -24.1(6) . .
C40 Sb2 C50 C49 125.2(6) . .
C59 Sb2 C50 C49 -122.2(5) . .
Hg2 Sb2 C50 C49 167.4(5) . .
F2 Sb2 C50 C51 -125.6(6) . .
C53 Sb2 C50 C51 147.3(6) . .
C40 Sb2 C50 C51 -63.4(8) . .
C59 Sb2 C50 C51 49.2(6) . .
Hg2 Sb2 C50 C51 -21.1(6) . .
C39 C38 C37 C42 -1.1(11) . .
C19 C11 C12 C13 -1.9(11) . .
Hg1 C11 C12 C13 180.0(6) . .
C1 C2 C3 C4 -0.1(11) . .
C41 C33 C34 C35 1.3(11) . .
Hg2 C33 C34 C35 -179.4(6) . .
C58 C53 C54 C55 -0.2(12) . .
Sb2 C53 C54 C55 173.7(6) . .
C33 C34 C35 C36 -0.2(12) . .
C1 C9 C10 C4 3.1(10) . .
C8 C9 C10 C4 -179.3(7) . .
C1 C9 C10 C5 -176.0(7) . .
C8 C9 C10 C5 1.6(10) . .
C15 C20 C14 C13 175.0(8) . .
C19 C20 C14 C13 -5.6(11) . .
C21 C26 C25 C24 -2.0(12) . .
C32 C27 C28 C29 -3.5(12) . .
Sb1 C27 C28 C29 177.7(6) . .
C20 C14 C13 C12 -1.0(12) . .
C11 C12 C13 C14 4.9(12) . .
C59 C60 C61 C62 2.8(12) . .
C38 C37 C42 C36 -178.2(7) . .
C38 C37 C42 C41 -0.1(11) . .
C40 C41 C42 C37 2.2(10) . .
C33 C41 C42 C37 -175.9(6) . .
C40 C41 C42 C36 -179.8(6) . .
C33 C41 C42 C36 2.2(10) . .
C54 C53 C58 C57 -0.7(12) . .
Sb2 C53 C58 C57 -174.5(6) . .
C41 C40 C39 C38 2.2(11) . .
Sb2 C40 C39 C38 -173.0(6) . .
C37 C38 C39 C40 0.1(11) . .
C34 C35 C36 C42 0.0(11) . .
C37 C42 C36 C35 177.0(7) . .
C41 C42 C36 C35 -1.1(11) . .
C2 C3 C4 C10 -0.6(11) . .
C9 C10 C4 C3 -0.9(11) . .
C5 C10 C4 C3 178.2(7) . .
C49 C48 C47 C52 2.7(12) . .
C46 C52 C47 C48 -177.7(8) . .
C51 C52 C47 C48 2.6(12) . .
C19 C20 C15 C16 -1.6(13) . .
C14 C20 C15 C16 177.9(8) . .
C51 C43 C44 C45 -1.6(13) . .
Hg2 C43 C44 C45 175.8(7) . .
C51 C50 C49 C48 -1.3(11) . .
Sb2 C50 C49 C48 170.6(6) . .
C47 C48 C49 C50 -3.4(12) . .
C47 C52 C46 C45 -177.4(8) . .
C51 C52 C46 C45 2.3(12) . .
C19 C18 C17 C16 3.6(12) . .
Sb1 C18 C17 C16 -173.0(7) . .
C60 C59 C64 C63 -0.2(12) . .
Sb2 C59 C64 C63 -177.3(7) . .
C26 C21 C22 C23 -2.3(13) . .
Sb1 C21 C22 C23 177.6(7) . .
C30 C31 C32 C27 -0.2(13) . .
C28 C27 C32 C31 2.9(12) . .
Sb1 C27 C32 C31 -178.2(6) . .
C9 C8 C7 C6 0.4(12) . .
Sb1 C8 C7 C6 -173.5(6) . .
C4 C10 C5 C6 179.8(8) . .
C9 C10 C5 C6 -1.2(11) . .
C53 C58 C57 C56 2.2(12) . .
C20 C15 C16 C17 -1.8(14) . .
C18 C17 C16 C15 0.7(14) . .
C27 C28 C29 C30 1.2(14) . .
C26 C25 C24 C23 1.9(14) . .
C32 C31 C30 C29 -2.1(14) . .
C28 C29 C30 C31 1.6(14) . .
C53 C54 C55 C56 -0.3(13) . .
C52 C46 C45 C44 2.3(13) . .
C43 C44 C45 C46 -2.8(14) . .
C54 C55 C56 C57 1.8(14) . .
C58 C57 C56 C55 -2.7(14) . .
C10 C5 C6 C7 0.2(12) . .
C8 C7 C6 C5 0.2(13) . .
C59 C64 C63 C62 -1.0(14) . .
C64 C63 C62 C61 3.0(15) . .
C60 C61 C62 C63 -3.9(14) . .
C25 C24 C23 C22 -2.0(15) . .
C21 C22 C23 C24 2.2(15) . .
O1 C65 C66 C67 33(3) . .
C67 C68 O1 C65 59(2) . .
C66 C65 O1 C68 -55(3) . .
O1 C68 C67 C66 -43(3) . .
C65 C66 C67 C68 5(4) . .
