#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:44:37 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179345 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/42/4324220.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_4324220
loop_
_publ_author_name
'Xiao-Yan Tang'
'Ai-Xia Zheng'
'Hai Shang'
'Rong-Xin Yuan'
'Hong-Xi Li'
'Zhi-Gang Ren'
'Jian-Ping Lang'
_publ_contact_author_address
;         
School of Chemistry and Chemical Engineering, 
Suzhou University, Suzhou 215123, Jiangsu, 
P. R. China
;
_publ_contact_author_email       jplang@suda.edu.cn
_publ_contact_author_fax         86-512-65880089
_publ_contact_author_name        'Jian-Ping Lang'
_publ_contact_author_phone       86-512-65882865
_publ_section_title
;
 Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by
 Carboxylate Anions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              503
_journal_page_last               516
_journal_paper_doi               10.1021/ic101587h
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C38 H52 Hg2 N4 O4 S4, 2(F6 P), 2(H2 O)'
_chemical_formula_sum            'C38 H56 F12 Hg2 N4 O6 P2 S4'
_chemical_formula_weight         1484.27
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 119.33(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.884(7)
_cell_length_b                   7.6754(15)
_cell_length_c                   22.789(5)
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.3491
_cell_measurement_theta_min      3.0448
_cell_volume                     5167(2)
_computing_cell_refinement       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_collection       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_reduction
'CrystalStructure, Ver. 3.60 (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_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  0.0558
_diffrn_reflns_av_sigmaI/netI    0.0441
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            24324
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.04
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.248
_exptl_absorpt_correction_T_max  0.5338
_exptl_absorpt_correction_T_min  0.2673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Jacobson, R. (1998) Private communication to Rigaku Corp.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.908
_exptl_crystal_description       block
_exptl_crystal_F_000             2888
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.336
_refine_diff_density_min         -0.936
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         4723
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.162
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0069P)²+39.3455P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0679
_reflns_number_gt                3880
_reflns_number_total             4723
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101587h_si_002_6.cif
_cod_data_source_block           6
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4324220
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
Hg1 Hg 0.991919(7) 0.74617(3) 0.599147(11) 0.02139(8) Uani 1 1 d .
S1 S 1.04888(6) 0.5343(2) 0.64346(8) 0.0272(4) Uani 1 1 d .
S2 S 0.93416(6) 0.9503(2) 0.54458(8) 0.0274(4) Uani 1 1 d .
N1 N 1.15442(16) 0.5484(7) 0.4929(3) 0.0240(12) Uani 1 1 d .
N2 N 0.86802(16) 0.9679(7) 0.2452(3) 0.0254(12) Uani 1 1 d .
C1 C 1.0785(2) 0.5500(8) 0.5978(3) 0.0216(14) Uani 1 1 d .
C2 C 1.0591(2) 0.5969(8) 0.5306(3) 0.0214(14) Uani 1 1 d .
H2 H 1.0280 0.6287 0.5070 0.026 Uiso 1 1 calc R
C3 C 1.0836(2) 0.5986(8) 0.4970(3) 0.0217(14) Uani 1 1 d .
H3 H 1.0698 0.6337 0.4512 0.026 Uiso 1 1 calc R
C4 C 1.1289(2) 0.5482(8) 0.5312(3) 0.0237(14) Uani 1 1 d .
C5 C 1.1489(2) 0.5004(8) 0.5977(3) 0.0284(16) Uani 1 1 d .
H5 H 1.1798 0.4661 0.6209 0.034 Uiso 1 1 calc R
C6 C 1.1240(2) 0.5023(9) 0.6308(3) 0.0302(16) Uani 1 1 d .
H6 H 1.1382 0.4705 0.6770 0.036 Uiso 1 1 calc R
C7 C 1.1540(2) 0.7280(8) 0.4665(3) 0.0309(16) Uani 1 1 d .
H7A H 1.1228 0.7613 0.4344 0.046 Uiso 1 1 calc R
H7B H 1.1722 0.7287 0.4438 0.046 Uiso 1 1 calc R
H7C H 1.1668 0.8110 0.5039 0.046 Uiso 1 1 calc R
C8 C 1.2032(2) 0.4963(10) 0.5356(4) 0.0393(19) Uani 1 1 d .
H8A H 1.2183 0.5780 0.5733 0.059 Uiso 1 1 calc R
H8B H 1.2182 0.4985 0.5083 0.059 Uiso 1 1 calc R
H8C H 1.2048 0.3784 0.5532 0.059 Uiso 1 1 calc R
C9 C 1.1327(2) 0.4242(9) 0.4343(4) 0.0391(19) Uani 1 1 d .
H9A H 1.1307 0.3082 0.4506 0.059 Uiso 1 1 calc R
H9B H 1.1511 0.4181 0.4119 0.059 Uiso 1 1 calc R
H9C H 1.1023 0.4656 0.4023 0.059 Uiso 1 1 calc R
C10 C 0.9171(2) 0.9374(8) 0.4580(3) 0.0224(14) Uani 1 1 d .
C11 C 0.8719(2) 0.9735(9) 0.4131(3) 0.0312(16) Uani 1 1 d .
H11 H 0.8517 0.9921 0.4302 0.037 Uiso 1 1 calc R
C12 C 0.8555(2) 0.9831(9) 0.3445(3) 0.0338(17) Uani 1 1 d .
H12 H 0.8246 1.0103 0.3149 0.041 Uiso 1 1 calc R
C13 C 0.8845(2) 0.9529(8) 0.3196(3) 0.0224(14) Uani 1 1 d .
C14 C 0.9296(2) 0.9166(7) 0.3624(3) 0.0198(14) Uani 1 1 d .
H14 H 0.9496 0.8974 0.3450 0.024 Uiso 1 1 calc R
C15 C 0.9453(2) 0.9084(7) 0.4308(3) 0.0206(14) Uani 1 1 d .
H15 H 0.9763 0.8823 0.4601 0.025 Uiso 1 1 calc R
C16 C 0.8178(2) 0.9544(11) 0.2041(3) 0.0405(19) Uani 1 1 d .
H16A H 0.8038 1.0543 0.2135 0.061 Uiso 1 1 calc R
H16B H 0.8076 0.8464 0.2154 0.061 Uiso 1 1 calc R
H16C H 0.8089 0.9535 0.1562 0.061 Uiso 1 1 calc R
C17 C 0.8888(3) 0.8264(10) 0.2226(3) 0.043(2) Uani 1 1 d .
H17A H 0.8816 0.7121 0.2341 0.064 Uiso 1 1 calc R
H17B H 0.9217 0.8415 0.2454 0.064 Uiso 1 1 calc R
H17C H 0.8765 0.8339 0.1738 0.064 Uiso 1 1 calc R
C18 C 0.8825(2) 1.1388(10) 0.2307(4) 0.043(2) Uani 1 1 d .
H18A H 0.8712 1.1497 0.1822 0.064 Uiso 1 1 calc R
H18B H 0.9157 1.1453 0.2547 0.064 Uiso 1 1 calc R
H18C H 0.8703 1.2337 0.2458 0.064 Uiso 1 1 calc R
C19 C 1.0000 0.6843(11) 0.7500 0.023(2) Uani 1 2 d S
C20 C 1.0000 0.8860(11) 0.7500 0.021(2) Uani 1 2 d S
O1 O 0.97965(16) 0.6119(5) 0.6934(2) 0.0322(11) Uani 1 1 d .
O2 O 0.99421(14) 0.9598(5) 0.7944(2) 0.0261(10) Uani 1 1 d .
O3 O 1.04901(16) 0.7283(7) 0.3367(2) 0.0336(11) Uani 1 1 d D
P1 P 0.76268(6) 0.4680(2) 0.12982(9) 0.0301(4) Uani 1 1 d .
F1 F 0.80603(16) 0.4919(7) 0.2005(2) 0.0718(16) Uani 1 1 d .
F2 F 0.78094(17) 0.6127(6) 0.0989(2) 0.0591(13) Uani 1 1 d .
F3 F 0.73748(15) 0.6162(5) 0.1476(2) 0.0532(12) Uani 1 1 d .
F4 F 0.74352(16) 0.3241(6) 0.1591(2) 0.0583(13) Uani 1 1 d .
F5 F 0.78735(14) 0.3187(5) 0.1106(2) 0.0483(12) Uani 1 1 d .
F6 F 0.71916(14) 0.4442(6) 0.0579(2) 0.0553(13) Uani 1 1 d .
H19 H 1.0271(16) 0.791(8) 0.317(3) 0.05(3) Uiso 1 1 d D
H20 H 1.039(3) 0.636(6) 0.318(4) 0.08(3) Uiso 1 1 d 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'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 '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'
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
S2 Hg1 S1 174.37(6) . .
S2 Hg1 O1 105.98(11) . .
S1 Hg1 O1 78.43(11) . .
C1 S1 Hg1 106.5(2) . .
C10 S2 Hg1 106.7(2) . .
C4 N1 C7 109.9(5) . .
C4 N1 C8 112.8(5) . .
C7 N1 C8 107.2(5) . .
C4 N1 C9 110.2(5) . .
C7 N1 C9 108.7(5) . .
C8 N1 C9 108.0(5) . .
C16 N2 C18 108.7(5) . .
C16 N2 C13 112.4(5) . .
C18 N2 C13 109.5(5) . .
C16 N2 C17 108.3(5) . .
C18 N2 C17 107.3(5) . .
C13 N2 C17 110.4(5) . .
C2 C1 C6 117.7(6) . .
C2 C1 S1 124.7(5) . .
C6 C1 S1 117.5(5) . .
C3 C2 C1 121.9(6) . .
C3 C2 H2 119.1 . .
C1 C2 H2 119.1 . .
C2 C3 C4 119.0(6) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
C5 C4 C3 120.2(6) . .
C5 C4 N1 122.0(6) . .
C3 C4 N1 117.8(5) . .
C4 C5 C6 119.9(6) . .
C4 C5 H5 120.1 . .
C6 C5 H5 120.1 . .
C5 C6 C1 121.3(6) . .
C5 C6 H6 119.4 . .
C1 C6 H6 119.4 . .
N1 C7 H7A 109.5 . .
N1 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
N1 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N1 C8 H8A 109.5 . .
N1 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
N1 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N1 C9 H9A 109.5 . .
N1 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N1 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C11 C10 C15 117.0(6) . .
C11 C10 S2 116.8(5) . .
C15 C10 S2 125.9(5) . .
C12 C11 C10 122.2(6) . .
C12 C11 H11 118.9 . .
C10 C11 H11 118.9 . .
C13 C12 C11 119.0(6) . .
C13 C12 H12 120.5 . .
C11 C12 H12 120.5 . .
C12 C13 C14 120.8(6) . .
C12 C13 N2 120.3(5) . .
C14 C13 N2 118.8(5) . .
C15 C14 C13 119.2(6) . .
C15 C14 H14 120.4 . .
C13 C14 H14 120.4 . .
C14 C15 C10 121.8(6) . .
C14 C15 H15 119.1 . .
C10 C15 H15 119.1 . .
N2 C16 H16A 109.5 . .
N2 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
N2 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N2 C17 H17A 109.5 . .
N2 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
N2 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N2 C18 H18A 109.5 . .
N2 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N2 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O1 C19 O1 127.4(8) 2_756 .
O1 C19 C20 116.3(4) 2_756 .
O1 C19 C20 116.3(4) . .
O2 C20 O2 126.4(8) . 2_756
O2 C20 C19 116.8(4) . .
O2 C20 C19 116.8(4) 2_756 .
C19 O1 Hg1 116.4(4) . .
H19 O3 H20 101(8) . .
F1 P1 F4 91.1(3) . .
F1 P1 F3 90.2(3) . .
F4 P1 F3 90.5(2) . .
F1 P1 F6 179.3(3) . .
F4 P1 F6 89.4(3) . .
F3 P1 F6 90.1(2) . .
F1 P1 F2 90.1(3) . .
F4 P1 F2 178.8(3) . .
F3 P1 F2 89.3(2) . .
F6 P1 F2 89.4(3) . .
F1 P1 F5 90.8(3) . .
F4 P1 F5 89.6(2) . .
F3 P1 F5 179.0(3) . .
F6 P1 F5 88.9(2) . .
F2 P1 F5 90.6(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Hg1 S2 2.3341(17) .
Hg1 S1 2.3412(17) .
Hg1 O1 2.594(4) .
S1 C1 1.767(6) .
S2 C10 1.766(6) .
N1 C4 1.498(8) .
N1 C7 1.502(8) .
N1 C8 1.504(8) .
N1 C9 1.507(8) .
N2 C16 1.491(8) .
N2 C18 1.493(8) .
N2 C13 1.508(8) .
N2 C17 1.514(8) .
C1 C2 1.387(8) .
C1 C6 1.394(8) .
C2 C3 1.377(8) .
C2 H2 0.9500 .
C3 C4 1.395(8) .
C3 H3 0.9500 .
C4 C5 1.374(9) .
C5 C6 1.379(9) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.390(8) .
C10 C15 1.390(8) .
C11 C12 1.381(9) .
C11 H11 0.9500 .
C12 C13 1.374(9) .
C12 H12 0.9500 .
C13 C14 1.380(8) .
C14 C15 1.380(8) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 O1 1.255(6) 2_756
C19 O1 1.255(6) .
C19 C20 1.548(12) .
C20 O2 1.257(5) .
C20 O2 1.257(5) 2_756
O3 H19 0.81(6) .
O3 H20 0.81(5) .
P1 F1 1.571(4) .
P1 F4 1.585(4) .
P1 F3 1.589(4) .
P1 F6 1.590(4) .
P1 F2 1.594(4) .
P1 F5 1.601(4) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O3 H19 O2 0.81(6) 2.14(4) 2.891(7) 153(7) 6_575
C14 H14 O2 0.95 2.55 3.378(7) 145.4 6_575
C18 H18B O2 0.98 2.49 3.408(9) 156.3 6_575
O3 H20 O1 0.81(5) 1.98(4) 2.753(7) 159(9) 5_766
C6 H6 F1 0.95 2.51 3.387(8) 154.2 5_766
C3 H3 O3 0.95 2.46 3.393(8) 169.0 .
C7 H7A O3 0.98 2.41 3.332(8) 155.8 .
C7 H7B F2 0.98 2.40 3.327(8) 157.4 2_755
C9 H9B F5 0.98 2.50 3.428(8) 158.1 2_755
C7 H7C F6 0.98 2.46 3.322(8) 146.5 8_566
C8 H8C F6 0.98 2.52 3.422(9) 153.8 8_556
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
O1 Hg1 S1 C1 -178.8(2) . .
O1 Hg1 S2 C10 -142.1(2) . .
Hg1 S1 C1 C2 -32.7(6) . .
Hg1 S1 C1 C6 151.1(5) . .
C6 C1 C2 C3 -0.6(9) . .
S1 C1 C2 C3 -176.8(5) . .
C1 C2 C3 C4 1.4(9) . .
C2 C3 C4 C5 -1.1(9) . .
C2 C3 C4 N1 179.0(5) . .
C7 N1 C4 C5 -121.0(6) . .
C8 N1 C4 C5 -1.5(8) . .
C9 N1 C4 C5 119.3(7) . .
C7 N1 C4 C3 59.0(7) . .
C8 N1 C4 C3 178.5(6) . .
C9 N1 C4 C3 -60.8(7) . .
C3 C4 C5 C6 0.0(10) . .
N1 C4 C5 C6 180.0(6) . .
C4 C5 C6 C1 0.8(10) . .
C2 C1 C6 C5 -0.5(10) . .
S1 C1 C6 C5 176.0(5) . .
Hg1 S2 C10 C11 148.6(5) . .
Hg1 S2 C10 C15 -37.0(6) . .
C15 C10 C11 C12 -0.9(10) . .
S2 C10 C11 C12 174.0(6) . .
C10 C11 C12 C13 1.2(11) . .
C11 C12 C13 C14 -1.2(10) . .
C11 C12 C13 N2 -178.1(6) . .
C16 N2 C13 C12 -20.1(8) . .
C18 N2 C13 C12 100.9(7) . .
C17 N2 C13 C12 -141.2(6) . .
C16 N2 C13 C14 162.9(6) . .
C18 N2 C13 C14 -76.1(7) . .
C17 N2 C13 C14 41.9(7) . .
C12 C13 C14 C15 0.9(9) . .
N2 C13 C14 C15 177.8(5) . .
C13 C14 C15 C10 -0.6(9) . .
C11 C10 C15 C14 0.6(9) . .
S2 C10 C15 C14 -173.8(5) . .
O1 C19 C20 O2 -41.1(3) 2_756 .
O1 C19 C20 O2 138.9(3) . .
O1 C19 C20 O2 138.9(3) 2_756 2_756
O1 C19 C20 O2 -41.1(3) . 2_756
O1 C19 O1 Hg1 -137.7(3) 2_756 .
C20 C19 O1 Hg1 42.3(3) . .
S2 Hg1 O1 C19 -91.5(4) . .
S1 Hg1 O1 C19 92.1(4) . .
