#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/50/1515028.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_1515028
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            'C38 H34 F6 Hg O1.5 P Sb'
_chemical_formula_weight         981.96
_chemical_name_common            2-THF
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.1540(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2206(15)
_cell_length_b                   21.054(2)
_cell_length_c                   13.5998(15)
_cell_measurement_temperature    110(2)
_cell_volume                     3337.6(6)
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0236
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            25560
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    5.518
_exptl_absorpt_correction_T_max  0.6665
_exptl_absorpt_correction_T_min  0.4539
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.954
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.689
_refine_diff_density_min         -0.966
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         5249
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.168
_refine_ls_R_factor_all          0.0231
_refine_ls_R_factor_gt           0.0212
_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)+(0.0161P)²+12.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0503
_refine_ls_wR_factor_ref         0.0512
_reflns_number_gt                4967
_reflns_number_total             5249
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2sc00904h.txt
_cod_data_source_block           2-THF
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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      P2(1)/c
_cod_original_formula_sum        'C38 H34 F6 Hg O1.50 P Sb'
_cod_database_code               1515028
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Hg1 Hg 0.103128(14) 0.378660(8) 0.260189(14) 0.01816(7) Uani 1 1 d .
Sb1 Sb 0.25643(2) 0.486777(13) 0.25513(2) 0.01535(8) Uani 1 1 d .
P1 P -0.24056(11) 0.30535(6) 0.15860(11) 0.0277(3) Uani 1 1 d .
F6 F -0.2425(3) 0.30115(15) 0.2752(2) 0.0392(7) Uani 1 1 d .
F4 F -0.2431(3) 0.22987(14) 0.1533(3) 0.0426(8) Uani 1 1 d .
F1 F -0.1024(2) 0.30294(17) 0.2244(2) 0.0412(8) Uani 1 1 d .
C32 C 0.4101(4) 0.3828(2) 0.2469(4) 0.0214(10) Uani 1 1 d .
H32A H 0.3836 0.3986 0.1733 0.026 Uiso 1 1 calc R
O1 O 0.1856(3) 0.26215(17) 0.3412(3) 0.0358(9) Uani 1 1 d .
C28 C 0.4086(4) 0.3864(2) 0.4238(4) 0.0207(10) Uani 1 1 d .
H28A H 0.3816 0.4045 0.4711 0.025 Uiso 1 1 calc R
C9 C 0.1706(4) 0.4789(2) 0.4407(3) 0.0167(9) Uani 1 1 d .
C8 C 0.2109(4) 0.5186(2) 0.3803(3) 0.0171(9) Uani 1 1 d .
C19 C 0.0879(4) 0.4102(2) 0.0348(4) 0.0182(10) Uani 1 1 d .
C27 C 0.3699(4) 0.4091(2) 0.3163(4) 0.0172(9) Uani 1 1 d .
C22 C 0.3243(4) 0.6214(2) 0.2163(4) 0.0208(10) Uani 1 1 d .
H22A H 0.2444 0.6298 0.1853 0.025 Uiso 1 1 calc R
F2 F -0.3774(3) 0.30634(16) 0.0938(3) 0.0469(8) Uani 1 1 d .
C21 C 0.3663(4) 0.5609(2) 0.2562(4) 0.0180(9) Uani 1 1 d .
C30 C 0.5262(4) 0.3104(2) 0.3928(4) 0.0232(10) Uani 1 1 d .
H30A H 0.5790 0.2761 0.4188 0.028 Uiso 1 1 calc R
C11 C 0.0664(4) 0.3623(2) 0.0972(4) 0.0194(10) Uani 1 1 d .
C29 C 0.4873(4) 0.3370(2) 0.4616(4) 0.0237(10) Uani 1 1 d .
H29A H 0.5145 0.3213 0.5352 0.028 Uiso 1 1 calc R
C10 C 0.1690(4) 0.5074(2) 0.5359(4) 0.0201(10) Uani 1 1 d .
C18 C 0.1493(4) 0.4686(2) 0.0796(3) 0.0184(10) Uani 1 1 d .
F3 F -0.2372(4) 0.38063(16) 0.1706(4) 0.0778(14) Uani 1 1 d .
C4 C 0.1347(4) 0.4706(2) 0.6018(4) 0.0238(11) Uani 1 1 d .
H4A H 0.1362 0.4889 0.6663 0.029 Uiso 1 1 calc R
C20 C 0.0439(4) 0.4011(2) -0.0834(4) 0.0226(10) Uani 1 1 d .
C25 C 0.5565(4) 0.5958(2) 0.3036(4) 0.0236(10) Uani 1 1 d .
H25A H 0.6360 0.5872 0.3321 0.028 Uiso 1 1 calc R
C15 C 0.0583(4) 0.4494(3) -0.1489(4) 0.0257(11) Uani 1 1 d .
H15A H 0.0288 0.4428 -0.2268 0.031 Uiso 1 1 calc R
C7 C 0.2359(4) 0.5813(2) 0.4069(4) 0.0213(10) Uani 1 1 d .
H7A H 0.2612 0.6066 0.3649 0.026 Uiso 1 1 calc R
C2 C 0.0964(4) 0.3822(2) 0.4787(4) 0.0241(11) Uani 1 1 d .
H2A H 0.0695 0.3399 0.4592 0.029 Uiso 1 1 calc R
C26 C 0.4828(4) 0.5479(2) 0.2998(4) 0.0183(9) Uani 1 1 d .
H26A H 0.5116 0.5067 0.3267 0.022 Uiso 1 1 calc R
C6 C 0.2249(4) 0.6090(2) 0.4957(4) 0.0257(11) Uani 1 1 d .
H6A H 0.2377 0.6532 0.5100 0.031 Uiso 1 1 calc R
C23 C 0.3979(4) 0.6690(2) 0.2217(4) 0.0240(10) Uani 1 1 d .
H23A H 0.3692 0.7104 0.1954 0.029 Uiso 1 1 calc R
C1 C 0.1310(4) 0.4151(2) 0.4121(4) 0.0182(9) Uani 1 1 d .
C3 C 0.0997(4) 0.4094(2) 0.5747(4) 0.0250(11) Uani 1 1 d .
H3A H 0.0776 0.3852 0.6203 0.030 Uiso 1 1 calc R
C17 C 0.1594(4) 0.5139(2) 0.0122(4) 0.0214(10) Uani 1 1 d .
H17A H 0.1987 0.5524 0.0441 0.026 Uiso 1 1 calc R
C12 C 0.0061(4) 0.3092(2) 0.0430(4) 0.0232(10) Uani 1 1 d .
H12A H -0.0093 0.2779 0.0844 0.028 Uiso 1 1 calc R
C5 C 0.1960(4) 0.5724(2) 0.5606(4) 0.0235(10) Uani 1 1 d .
H5A H 0.1938 0.5907 0.6235 0.028 Uiso 1 1 calc R
C16 C 0.1127(4) 0.5042(3) -0.1032(4) 0.0269(11) Uani 1 1 d .
H16A H 0.1194 0.5363 -0.1490 0.032 Uiso 1 1 calc R
C31 C 0.4884(4) 0.3338(2) 0.2859(4) 0.0242(11) Uani 1 1 d .
H31A H 0.5166 0.3160 0.2393 0.029 Uiso 1 1 calc R
C14 C -0.0155(4) 0.3444(2) -0.1330(4) 0.0263(11) Uani 1 1 d .
H14A H -0.0430 0.3377 -0.2106 0.032 Uiso 1 1 calc R
C24 C 0.5142(4) 0.6566(2) 0.2655(4) 0.0243(11) Uani 1 1 d .
H24A H 0.5651 0.6895 0.2697 0.029 Uiso 1 1 calc R
F5 F -0.2391(3) 0.3095(3) 0.0440(3) 0.0801(15) Uani 1 1 d .
C13 C -0.0338(4) 0.2992(2) -0.0714(4) 0.0284(11) Uani 1 1 d .
H13A H -0.0734 0.2612 -0.1057 0.034 Uiso 1 1 calc R
C33 C 0.2483(5) 0.2471(3) 0.4576(4) 0.0324(12) Uani 1 1 d .
H33A H 0.1950 0.2377 0.4879 0.039 Uiso 1 1 calc R
H33B H 0.2979 0.2832 0.4997 0.039 Uiso 1 1 calc R
C36 C 0.2295(6) 0.2258(3) 0.2825(5) 0.0439(15) Uani 1 1 d .
H36A H 0.2887 0.2502 0.2735 0.053 Uiso 1 1 calc R
H36B H 0.1673 0.2145 0.2076 0.053 Uiso 1 1 calc R
C34 C 0.3206(5) 0.1892(3) 0.4669(5) 0.0474(15) Uani 1 1 d .
H34A H 0.4030 0.2004 0.5027 0.057 Uiso 1 1 calc R
H34B H 0.3091 0.1556 0.5116 0.057 Uiso 1 1 calc R
C35 C 0.2805(6) 0.1673(3) 0.3501(5) 0.0420(14) Uani 1 1 d .
H35A H 0.2224 0.1332 0.3298 0.050 Uiso 1 1 calc R
H35B H 0.3454 0.1514 0.3398 0.050 Uiso 1 1 calc R
C38 C -0.4223(7) 0.4686(4) -0.0009(6) 0.068(2) Uani 1 1 d D
H38A H -0.3389 0.4598 0.0344 0.081 Uiso 1 1 calc R
H38B H -0.4595 0.4328 -0.0529 0.081 Uiso 1 1 calc R
O2 O -0.4383(7) 0.5229(4) -0.0737(7) 0.046(2) Uani 0.50 1 d PD
C37 C -0.5467(7) 0.5415(5) -0.0914(8) 0.104(4) Uani 1 1 d D
H37A H -0.6042 0.5188 -0.1582 0.125 Uiso 1 1 calc R
H37B H -0.5552 0.5873 -0.1097 0.125 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'
P P 0.1023 0.0942 '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
C11 Hg1 C1 167.59(18) . .
C11 Hg1 O1 97.59(15) . .
C1 Hg1 O1 94.72(14) . .
C11 Hg1 F1 90.05(14) . .
C1 Hg1 F1 94.64(14) . .
O1 Hg1 F1 75.08(10) . .
C11 Hg1 Sb1 85.58(13) . .
C1 Hg1 Sb1 86.48(12) . .
O1 Hg1 Sb1 122.63(8) . .
F1 Hg1 Sb1 162.16(6) . .
C27 Sb1 C21 102.13(17) . .
C27 Sb1 C18 105.79(17) . .
C21 Sb1 C18 103.14(17) . .
C27 Sb1 C8 109.91(16) . .
C21 Sb1 C8 102.15(17) . .
C18 Sb1 C8 130.11(16) . .
C27 Sb1 Hg1 76.72(12) . .
C21 Sb1 Hg1 178.39(12) . .
C18 Sb1 Hg1 78.31(12) . .
C8 Sb1 Hg1 77.28(12) . .
F5 P1 F4 91.2(2) . .
F5 P1 F3 91.9(3) . .
F4 P1 F3 176.9(2) . .
F5 P1 F2 89.5(2) . .
F4 P1 F2 89.65(18) . .
F3 P1 F2 90.8(2) . .
F5 P1 F6 179.8(2) . .
F4 P1 F6 88.83(18) . .
F3 P1 F6 88.1(2) . .
F2 P1 F6 90.24(18) . .
F5 P1 F1 90.64(19) . .
F4 P1 F1 89.31(18) . .
F3 P1 F1 90.3(2) . .
F2 P1 F1 178.9(2) . .
F6 P1 F1 89.57(16) . .
P1 F1 Hg1 141.23(17) . .
C31 C32 C27 119.5(4) . .
C31 C32 H32A 120.2 . .
C27 C32 H32A 120.2 . .
C36 O1 C33 109.1(4) . .
C36 O1 Hg1 117.1(3) . .
C33 O1 Hg1 124.3(3) . .
C27 C28 C29 119.2(4) . .
C27 C28 H28A 120.4 . .
C29 C28 H28A 120.4 . .
C1 C9 C10 118.6(4) . .
C1 C9 C8 125.3(4) . .
C10 C9 C8 116.1(4) . .
C7 C8 C9 121.2(4) . .
C7 C8 Sb1 112.6(3) . .
C9 C8 Sb1 125.9(3) . .
C11 C19 C18 125.5(4) . .
C11 C19 C20 118.6(4) . .
C18 C19 C20 115.9(4) . .
C28 C27 C32 120.5(4) . .
C28 C27 Sb1 121.6(3) . .
C32 C27 Sb1 117.9(3) . .
C23 C22 C21 120.2(4) . .
C23 C22 H22A 119.9 . .
C21 C22 H22A 119.9 . .
C26 C21 C22 120.2(4) . .
C26 C21 Sb1 118.3(3) . .
C22 C21 Sb1 121.5(3) . .
C29 C30 C31 120.1(4) . .
C29 C30 H30A 119.9 . .
C31 C30 H30A 119.9 . .
C12 C11 C19 119.0(4) . .
C12 C11 Hg1 119.8(4) . .
C19 C11 Hg1 120.5(3) . .
C30 C29 C28 120.5(4) . .
C30 C29 H29A 119.8 . .
C28 C29 H29A 119.8 . .
C4 C10 C5 120.1(4) . .
C4 C10 C9 119.3(4) . .
C5 C10 C9 120.6(4) . .
C17 C18 C19 121.6(4) . .
C17 C18 Sb1 113.3(3) . .
C19 C18 Sb1 124.4(3) . .
C3 C4 C10 121.2(4) . .
C3 C4 H4A 119.4 . .
C10 C4 H4A 119.4 . .
C14 C20 C15 120.8(4) . .
C14 C20 C19 119.2(4) . .
C15 C20 C19 120.0(4) . .
C26 C25 C24 120.1(4) . .
C26 C25 H25A 119.9 . .
C24 C25 H25A 119.9 . .
C16 C15 C20 121.6(4) . .
C16 C15 H15A 119.2 . .
C20 C15 H15A 119.2 . .
C8 C7 C6 121.1(4) . .
C8 C7 H7A 119.5 . .
C6 C7 H7A 119.5 . .
C1 C2 C3 122.0(4) . .
C1 C2 H2A 119.0 . .
C3 C2 H2A 119.0 . .
C25 C26 C21 119.4(4) . .
C25 C26 H26A 120.3 . .
C21 C26 H26A 120.3 . .
C5 C6 C7 119.9(4) . .
C5 C6 H6A 120.0 . .
C7 C6 H6A 120.0 . .
C22 C23 C24 120.0(4) . .
C22 C23 H23A 120.0 . .
C24 C23 H23A 120.0 . .
C2 C1 C9 119.1(4) . .
C2 C1 Hg1 120.8(3) . .
C9 C1 Hg1 119.4(3) . .
C4 C3 C2 119.7(4) . .
C4 C3 H3A 120.2 . .
C2 C3 H3A 120.2 . .
C18 C17 C16 121.0(5) . .
C18 C17 H17A 119.5 . .
C16 C17 H17A 119.5 . .
C11 C12 C13 122.5(5) . .
C11 C12 H12A 118.7 . .
C13 C12 H12A 118.7 . .
C6 C5 C10 120.7(4) . .
C6 C5 H5A 119.6 . .
C10 C5 H5A 119.6 . .
C15 C16 C17 119.8(5) . .
C15 C16 H16A 120.1 . .
C17 C16 H16A 120.1 . .
C32 C31 C30 120.2(4) . .
C32 C31 H31A 119.9 . .
C30 C31 H31A 119.9 . .
C13 C14 C20 121.0(4) . .
C13 C14 H14A 119.5 . .
C20 C14 H14A 119.5 . .
C23 C24 C25 120.1(4) . .
C23 C24 H24A 119.9 . .
C25 C24 H24A 119.9 . .
C14 C13 C12 119.7(5) . .
C14 C13 H13A 120.2 . .
C12 C13 H13A 120.2 . .
O1 C33 C34 106.4(4) . .
O1 C33 H33A 110.4 . .
C34 C33 H33A 110.4 . .
O1 C33 H33B 110.4 . .
C34 C33 H33B 110.4 . .
H33A C33 H33B 108.6 . .
O1 C36 C35 106.6(5) . .
O1 C36 H36A 110.4 . .
C35 C36 H36A 110.4 . .
O1 C36 H36B 110.4 . .
C35 C36 H36B 110.4 . .
H36A C36 H36B 108.6 . .
C35 C34 C33 105.5(5) . .
C35 C34 H34A 110.6 . .
C33 C34 H34A 110.6 . .
C35 C34 H34B 110.6 . .
C33 C34 H34B 110.6 . .
H34A C34 H34B 108.8 . .
C34 C35 C36 103.3(5) . .
C34 C35 H35A 111.1 . .
C36 C35 H35A 111.1 . .
C34 C35 H35B 111.1 . .
C36 C35 H35B 111.1 . .
H35A C35 H35B 109.1 . .
O2 C38 C37 131.7(8) . 3_465
O2 C38 H38A 104.3 . .
C37 C38 H38A 104.3 3_465 .
O2 C38 H38B 104.3 . .
C37 C38 H38B 104.3 3_465 .
H38A C38 H38B 105.6 . .
C37 O2 C38 98.4(7) . .
O2 C37 C38 118.6(9) . 3_465
O2 C37 H37A 107.7 . .
C38 C37 H37A 107.7 3_465 .
O2 C37 H37B 107.7 . .
C38 C37 H37B 107.7 3_465 .
H37A C37 H37B 107.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Hg1 C11 2.062(4) .
Hg1 C1 2.067(4) .
Hg1 O1 2.700(3) .
Hg1 F1 2.986(3) .
Hg1 Sb1 3.0701(4) .
Sb1 C27 2.107(4) .
Sb1 C21 2.127(4) .
Sb1 C18 2.159(4) .
Sb1 C8 2.162(4) .
P1 F5 1.571(4) .
P1 F4 1.590(3) .
P1 F3 1.592(4) .
P1 F2 1.595(3) .
P1 F6 1.600(3) .
P1 F1 1.612(3) .
C32 C31 1.379(7) .
C32 C27 1.397(6) .
C32 H32A 0.9500 .
O1 C36 1.413(6) .
O1 C33 1.434(6) .
C28 C27 1.387(6) .
C28 C29 1.388(7) .
C28 H28A 0.9500 .
C9 C1 1.427(6) .
C9 C10 1.436(6) .
C9 C8 1.438(6) .
C8 C7 1.368(6) .
C19 C11 1.432(7) .
C19 C18 1.439(6) .
C19 C20 1.440(6) .
C22 C23 1.375(7) .
C22 C21 1.393(6) .
C22 H22A 0.9500 .
C21 C26 1.392(6) .
C30 C29 1.381(7) .
C30 C31 1.386(7) .
C30 H30A 0.9500 .
C11 C12 1.369(7) .
C29 H29A 0.9500 .
C10 C4 1.412(7) .
C10 C5 1.415(7) .
C18 C17 1.373(6) .
C4 C3 1.358(7) .
C4 H4A 0.9500 .
C20 C14 1.412(7) .
C20 C15 1.423(7) .
C25 C26 1.386(6) .
C25 C24 1.394(7) .
C25 H25A 0.9500 .
C15 C16 1.347(7) .
C15 H15A 0.9500 .
C7 C6 1.409(7) .
C7 H7A 0.9500 .
C2 C1 1.379(6) .
C2 C3 1.407(7) .
C2 H2A 0.9500 .
C26 H26A 0.9500 .
C6 C5 1.356(7) .
C6 H6A 0.9500 .
C23 C24 1.386(7) .
C23 H23A 0.9500 .
C3 H3A 0.9500 .
C17 C16 1.404(7) .
C17 H17A 0.9500 .
C12 C13 1.402(7) .
C12 H12A 0.9500 .
C5 H5A 0.9500 .
C16 H16A 0.9500 .
C31 H31A 0.9500 .
C14 C13 1.363(7) .
C14 H14A 0.9500 .
C24 H24A 0.9500 .
C13 H13A 0.9500 .
C33 C34 1.517(8) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C36 C35 1.495(8) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C34 C35 1.491(8) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C38 O2 1.460(9) .
C38 C37 1.508(10) 3_465
C38 H38A 0.9900 .
C38 H38B 0.9900 .
O2 C37 1.393(10) .
C37 C38 1.508(10) 3_465
C37 H37A 0.9900 .
C37 H37B 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
C11 Hg1 Sb1 C27 -92.34(17) . .
C1 Hg1 Sb1 C27 97.21(17) . .
O1 Hg1 Sb1 C27 3.85(15) . .
F1 Hg1 Sb1 C27 -168.6(2) . .
C11 Hg1 Sb1 C21 -137(4) . .
C1 Hg1 Sb1 C21 53(4) . .
O1 Hg1 Sb1 C21 -41(4) . .
F1 Hg1 Sb1 C21 147(4) . .
C11 Hg1 Sb1 C18 17.19(17) . .
C1 Hg1 Sb1 C18 -153.26(17) . .
O1 Hg1 Sb1 C18 113.38(15) . .
F1 Hg1 Sb1 C18 -59.1(2) . .
C11 Hg1 Sb1 C8 153.33(17) . .
C1 Hg1 Sb1 C8 -17.12(17) . .
O1 Hg1 Sb1 C8 -110.48(15) . .
F1 Hg1 Sb1 C8 77.1(2) . .
F5 P1 F1 Hg1 60.0(3) . .
F4 P1 F1 Hg1 151.2(3) . .
F3 P1 F1 Hg1 -31.9(3) . .
F2 P1 F1 Hg1 160(11) . .
F6 P1 F1 Hg1 -120.0(3) . .
C11 Hg1 F1 P1 -69.2(3) . .
C1 Hg1 F1 P1 99.3(3) . .
O1 Hg1 F1 P1 -167.0(3) . .
Sb1 Hg1 F1 P1 6.4(5) . .
C11 Hg1 O1 C36 23.9(4) . .
C1 Hg1 O1 C36 -154.6(4) . .
F1 Hg1 O1 C36 111.9(4) . .
Sb1 Hg1 O1 C36 -65.7(4) . .
C11 Hg1 O1 C33 166.4(4) . .
C1 Hg1 O1 C33 -12.1(4) . .
F1 Hg1 O1 C33 -105.6(4) . .
Sb1 Hg1 O1 C33 76.8(4) . .
C1 C9 C8 C7 173.1(4) . .
C10 C9 C8 C7 -5.7(6) . .
C1 C9 C8 Sb1 -14.1(6) . .
C10 C9 C8 Sb1 167.1(3) . .
C27 Sb1 C8 C7 123.2(3) . .
C21 Sb1 C8 C7 15.4(4) . .
C18 Sb1 C8 C7 -103.7(4) . .
Hg1 Sb1 C8 C7 -166.2(3) . .
C27 Sb1 C8 C9 -50.1(4) . .
C21 Sb1 C8 C9 -158.0(4) . .
C18 Sb1 C8 C9 83.0(4) . .
Hg1 Sb1 C8 C9 20.5(3) . .
C29 C28 C27 C32 -0.4(7) . .
C29 C28 C27 Sb1 -177.1(3) . .
C31 C32 C27 C28 0.2(7) . .
C31 C32 C27 Sb1 177.1(3) . .
C21 Sb1 C27 C28 105.7(4) . .
C18 Sb1 C27 C28 -146.7(4) . .
C8 Sb1 C27 C28 -2.2(4) . .
Hg1 Sb1 C27 C28 -73.2(3) . .
C21 Sb1 C27 C32 -71.2(4) . .
C18 Sb1 C27 C32 36.4(4) . .
C8 Sb1 C27 C32 -179.0(3) . .
Hg1 Sb1 C27 C32 110.0(3) . .
C23 C22 C21 C26 -1.2(7) . .
C23 C22 C21 Sb1 177.6(3) . .
C27 Sb1 C21 C26 -4.1(4) . .
C18 Sb1 C21 C26 -113.8(3) . .
C8 Sb1 C21 C26 109.6(3) . .
Hg1 Sb1 C21 C26 40(4) . .
C27 Sb1 C21 C22 177.0(4) . .
C18 Sb1 C21 C22 67.3(4) . .
C8 Sb1 C21 C22 -69.3(4) . .
Hg1 Sb1 C21 C22 -139(4) . .
C18 C19 C11 C12 179.7(4) . .
C20 C19 C11 C12 0.8(6) . .
C18 C19 C11 Hg1 9.0(6) . .
C20 C19 C11 Hg1 -169.8(3) . .
C1 Hg1 C11 C12 -138.6(7) . .
O1 Hg1 C11 C12 48.7(4) . .
F1 Hg1 C11 C12 -26.2(4) . .
Sb1 Hg1 C11 C12 171.1(4) . .
C1 Hg1 C11 C19 32.0(10) . .
O1 Hg1 C11 C19 -140.7(3) . .
F1 Hg1 C11 C19 144.3(3) . .
Sb1 Hg1 C11 C19 -18.3(3) . .
C31 C30 C29 C28 1.1(7) . .
C27 C28 C29 C30 -0.3(7) . .
C1 C9 C10 C4 3.5(6) . .
C8 C9 C10 C4 -177.5(4) . .
C1 C9 C10 C5 -173.4(4) . .
C8 C9 C10 C5 5.5(6) . .
C11 C19 C18 C17 -175.6(4) . .
C20 C19 C18 C17 3.3(6) . .
C11 C19 C18 Sb1 15.4(6) . .
C20 C19 C18 Sb1 -165.7(3) . .
C27 Sb1 C18 C17 -118.3(3) . .
C21 Sb1 C18 C17 -11.5(4) . .
C8 Sb1 C18 C17 107.2(3) . .
Hg1 Sb1 C18 C17 169.2(3) . .
C27 Sb1 C18 C19 51.5(4) . .
C21 Sb1 C18 C19 158.3(3) . .
C8 Sb1 C18 C19 -83.0(4) . .
Hg1 Sb1 C18 C19 -21.0(3) . .
C5 C10 C4 C3 174.8(4) . .
C9 C10 C4 C3 -2.2(7) . .
C11 C19 C20 C14 -2.2(6) . .
C18 C19 C20 C14 178.8(4) . .
C11 C19 C20 C15 176.5(4) . .
C18 C19 C20 C15 -2.4(6) . .
C14 C20 C15 C16 178.7(4) . .
C19 C20 C15 C16 0.0(7) . .
C9 C8 C7 C6 1.1(7) . .
Sb1 C8 C7 C6 -172.6(4) . .
C24 C25 C26 C21 1.0(7) . .
C22 C21 C26 C25 0.3(6) . .
Sb1 C21 C26 C25 -178.6(3) . .
C8 C7 C6 C5 4.2(7) . .
C21 C22 C23 C24 0.9(7) . .
C3 C2 C1 C9 -0.5(7) . .
C3 C2 C1 Hg1 -171.1(4) . .
C10 C9 C1 C2 -2.2(6) . .
C8 C9 C1 C2 179.0(4) . .
C10 C9 C1 Hg1 168.5(3) . .
C8 C9 C1 Hg1 -10.3(6) . .
C11 Hg1 C1 C2 139.1(7) . .
O1 Hg1 C1 C2 -48.1(4) . .
F1 Hg1 C1 C2 27.3(4) . .
Sb1 Hg1 C1 C2 -170.6(4) . .
C11 Hg1 C1 C9 -31.4(10) . .
O1 Hg1 C1 C9 141.4(3) . .
F1 Hg1 C1 C9 -143.3(3) . .
Sb1 Hg1 C1 C9 18.9(3) . .
C10 C4 C3 C2 -0.6(7) . .
C1 C2 C3 C4 2.0(7) . .
C19 C18 C17 C16 -1.7(7) . .
Sb1 C18 C17 C16 168.4(3) . .
C19 C11 C12 C13 1.2(7) . .
Hg1 C11 C12 C13 172.0(4) . .
C7 C6 C5 C10 -4.3(7) . .
C4 C10 C5 C6 -177.6(4) . .
C9 C10 C5 C6 -0.6(7) . .
C20 C15 C16 C17 1.8(7) . .
C18 C17 C16 C15 -0.9(7) . .
C27 C32 C31 C30 0.6(7) . .
C29 C30 C31 C32 -1.3(7) . .
C15 C20 C14 C13 -177.1(4) . .
C19 C20 C14 C13 1.6(7) . .
C22 C23 C24 C25 0.4(7) . .
C26 C25 C24 C23 -1.3(7) . .
C20 C14 C13 C12 0.4(7) . .
C11 C12 C13 C14 -1.9(7) . .
C36 O1 C33 C34 -10.7(6) . .
Hg1 O1 C33 C34 -155.7(3) . .
C33 O1 C36 C35 26.2(6) . .
Hg1 O1 C36 C35 174.1(4) . .
O1 C33 C34 C35 -8.9(6) . .
C33 C34 C35 C36 23.6(7) . .
O1 C36 C35 C34 -30.8(7) . .
C37 C38 O2 C37 -38.9(14) 3_465 .
C38 O2 C37 C38 32.3(12) . 3_465
