#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/68/2236856.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2236856
loop_
_publ_author_name
'Sewpersad, Shirveen'
'Van Zyl, Werner E.'
_publ_section_title
;
 Bis[μ-O-isopropyl
 (4-ethoxyphenyl)dithiophosphonato-κ²S:S']bis{[O-isopropyl
 (4-ethoxyphenyl)dithiophosphonato-κ²S,S']mercury(II)}
;
_journal_coeditor_code           FF2088
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1488
_journal_page_last               m1489
_journal_paper_doi               10.1107/S1600536812046624
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Hg2 (C11 H16 O2 P S2)4]'
_chemical_formula_moiety         'C44 H64 Hg2 O8 P4 S8'
_chemical_formula_sum            'C44 H64 Hg2 O8 P4 S8'
_chemical_formula_weight         1502.49
_chemical_name_systematic
;
Bis[μ-O-isopropyl (4-ethoxyphenyl)dithiophosphonato-
κ²S:S']bis{[O-isopropyl
(4-ethoxyphenyl)dithiophosphonato-κ²S,S']mercury(II)}
;
_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                62.908(4)
_cell_angle_beta                 84.418(4)
_cell_angle_gamma                80.862(4)
_cell_formula_units_Z            1
_cell_length_a                   11.079(3)
_cell_length_b                   11.985(3)
_cell_length_c                   12.253(3)
_cell_measurement_reflns_used    34157
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.35
_cell_measurement_theta_min      1.86
_cell_volume                     1429.5(6)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker Kappa DUO APEXII'
_diffrn_measurement_method       '0.5° φ scans and ω 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  0.0767
_diffrn_reflns_av_sigmaI/netI    0.0469
_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       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            34157
_diffrn_reflns_theta_full        27.35
_diffrn_reflns_theta_max         27.35
_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.813
_exptl_absorpt_correction_T_max  0.5422
_exptl_absorpt_correction_T_min  0.4759
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.866
_refine_diff_density_min         -1.024
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         6382
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.965
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0227
_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)+(0.0170P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0465
_refine_ls_wR_factor_ref         0.0487
_reflns_number_gt                5622
_reflns_number_total             6382
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ff2088.cif
_cod_data_source_block           I
_cod_database_code               2236856
_cod_database_fobs_code          2236856
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Hg Hg1 0.406211(9) 0.860930(11) 0.068281(10) 0.03450(5) Uani d . 1 1
S S1 0.21870(6) 0.87000(7) -0.02079(7) 0.03184(16) Uani d . 1 1
S S2 0.33676(6) 0.60580(7) 0.21177(6) 0.02963(15) Uani d . 1 1
S S3 0.47011(6) 1.09499(7) -0.19071(6) 0.02882(15) Uani d . 1 1
S S4 0.61332(6) 0.79500(7) -0.05226(6) 0.03264(16) Uani d . 1 1
P P1 0.21046(6) 0.68074(7) 0.08684(6) 0.02416(15) Uani d . 1 1
P P2 0.59057(6) 0.95292(7) -0.20573(6) 0.02505(15) Uani d . 1 1
O O1 0.24135(16) 0.4936(2) -0.28729(18) 0.0369(5) Uani d . 1 1
O O2 0.07486(14) 0.66471(17) 0.13934(16) 0.0283(4) Uani d . 1 1
O O3 1.05424(16) 1.14120(19) -0.45478(18) 0.0370(5) Uani d . 1 1
O O4 0.54046(15) 0.93611(17) -0.31346(16) 0.0286(4) Uani d . 1 1
C C1 0.2184(2) 0.6092(2) -0.0143(2) 0.0243(6) Uani d . 1 1
C C2 0.1144(2) 0.6060(3) -0.0679(2) 0.0339(7) Uani d . 1 1
H H2 0.0358 0.6332 -0.0434 0.041 Uiso calc R 1 1
C C3 0.1250(2) 0.5637(3) -0.1559(3) 0.0366(7) Uani d . 1 1
H H3 0.0537 0.5607 -0.1911 0.044 Uiso calc R 1 1
C C4 0.2396(2) 0.5255(3) -0.1936(2) 0.0280(6) Uani d . 1 1
C C5 0.3435(2) 0.5230(3) -0.1371(3) 0.0284(6) Uani d . 1 1
H H5 0.4219 0.4926 -0.1590 0.034 Uiso calc R 1 1
C C6 0.3305(2) 0.5655(3) -0.0487(3) 0.0293(6) Uani d . 1 1
H H6 0.4015 0.5645 -0.0104 0.035 Uiso calc R 1 1
C C7 0.3573(2) 0.4493(3) -0.3265(3) 0.0349(7) Uani d . 1 1
H H7A 0.3947 0.3713 -0.2581 0.042 Uiso calc R 1 1
H H7B 0.4134 0.5141 -0.3530 0.042 Uiso calc R 1 1
C C8 0.3361(3) 0.4232(4) -0.4312(3) 0.0503(9) Uani d . 1 1
H H8A 0.2828 0.3568 -0.4033 0.075 Uiso calc R 1 1
H H8B 0.4146 0.3952 -0.4611 0.075 Uiso calc R 1 1
H H8C 0.2972 0.5004 -0.4975 0.075 Uiso calc R 1 1
C C9 0.0212(2) 0.7226(3) 0.2196(3) 0.0328(7) Uani d . 1 1
H H9 0.0767 0.7807 0.2197 0.039 Uiso calc R 1 1
C C10 -0.0988(3) 0.7978(3) 0.1647(3) 0.0507(9) Uani d . 1 1
H H10A -0.0837 0.8647 0.0824 0.076 Uiso calc R 1 1
H H10B -0.1397 0.8359 0.2167 0.076 Uiso calc R 1 1
H H10C -0.1511 0.7419 0.1595 0.076 Uiso calc R 1 1
C C11 0.0099(3) 0.6180(3) 0.3468(3) 0.0403(7) Uani d . 1 1
H H11A -0.0408 0.5584 0.3459 0.060 Uiso calc R 1 1
H H11B -0.0283 0.6534 0.4017 0.060 Uiso calc R 1 1
H H11C 0.0913 0.5737 0.3758 0.060 Uiso calc R 1 1
C C12 0.7306(2) 1.0142(3) -0.2752(2) 0.0267(6) Uani d . 1 1
C C13 0.7268(2) 1.1228(3) -0.3845(3) 0.0338(7) Uani d . 1 1
H H13 0.6497 1.1674 -0.4171 0.041 Uiso calc R 1 1
C C14 0.8323(2) 1.1688(3) -0.4480(3) 0.0343(7) Uani d . 1 1
H H14 0.8275 1.2432 -0.5240 0.041 Uiso calc R 1 1
C C15 0.9455(2) 1.1049(3) -0.3994(3) 0.0307(6) Uani d . 1 1
C C16 0.9506(2) 0.9983(3) -0.2874(3) 0.0347(7) Uani d . 1 1
H H16 1.0276 0.9565 -0.2525 0.042 Uiso calc R 1 1
C C17 0.8446(2) 0.9522(3) -0.2259(3) 0.0331(6) Uani d . 1 1
H H17 0.8493 0.8780 -0.1498 0.040 Uiso calc R 1 1
C C18 1.0515(3) 1.2395(3) -0.5783(3) 0.0378(7) Uani d . 1 1
H H18A 1.0037 1.3180 -0.5815 0.045 Uiso calc R 1 1
H H18B 1.0125 1.2142 -0.6316 0.045 Uiso calc R 1 1
C C19 1.1816(3) 1.2612(3) -0.6217(3) 0.0503(9) Uani d . 1 1
H H19A 1.2200 1.2835 -0.5669 0.075 Uiso calc R 1 1
H H19B 1.1821 1.3303 -0.7052 0.075 Uiso calc R 1 1
H H19C 1.2271 1.1839 -0.6213 0.075 Uiso calc R 1 1
C C20 0.4382(2) 0.8642(3) -0.2971(3) 0.0314(7) Uani d . 1 1
H H20 0.4191 0.8146 -0.2077 0.038 Uiso calc R 1 1
C C21 0.3287(3) 0.9560(3) -0.3587(3) 0.0468(8) Uani d . 1 1
H H21A 0.3069 1.0137 -0.3213 0.070 Uiso calc R 1 1
H H21B 0.2598 0.9097 -0.3487 0.070 Uiso calc R 1 1
H H21C 0.3479 1.0047 -0.4462 0.070 Uiso calc R 1 1
C C22 0.4828(3) 0.7755(3) -0.3523(3) 0.0415(8) Uani d . 1 1
H H22A 0.5113 0.8238 -0.4371 0.062 Uiso calc R 1 1
H H22B 0.4159 0.7305 -0.3512 0.062 Uiso calc R 1 1
H H22C 0.5504 0.7144 -0.3045 0.062 Uiso calc R 1 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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'
Hg Hg -2.3894 9.2266 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
S3 Hg1 S1 2_675 . 154.65(3)
S3 Hg1 S4 2_675 . 91.92(3)
S1 Hg1 S4 . . 112.32(3)
S3 Hg1 S2 2_675 . 109.11(2)
S1 Hg1 S2 . . 76.26(2)
S4 Hg1 S2 . . 97.22(2)
P1 S1 Hg1 . . 92.17(3)
P1 S2 Hg1 . . 79.38(3)
P2 S3 Hg1 . 2_675 97.48(3)
P2 S4 Hg1 . . 94.61(4)
O2 P1 C1 . . 100.56(10)
O2 P1 S2 . . 114.83(8)
C1 P1 S2 . . 114.39(9)
O2 P1 S1 . . 107.71(8)
C1 P1 S1 . . 106.96(9)
S2 P1 S1 . . 111.53(4)
O4 P2 C12 . . 100.50(10)
O4 P2 S4 . . 113.62(8)
C12 P2 S4 . . 113.57(10)
O4 P2 S3 . . 104.78(8)
C12 P2 S3 . . 108.57(10)
S4 P2 S3 . . 114.56(4)
C4 O1 C7 . . 117.9(2)
C9 O2 P1 . . 120.41(15)
C15 O3 C18 . . 117.1(2)
C20 O4 P2 . . 123.35(15)
C6 C1 C2 . . 118.4(2)
C6 C1 P1 . . 119.55(19)
C2 C1 P1 . . 121.8(2)
C3 C2 C1 . . 120.4(2)
C3 C2 H2 . . 119.8
C1 C2 H2 . . 119.8
C2 C3 C4 . . 120.3(2)
C2 C3 H3 . . 119.8
C4 C3 H3 . . 119.8
O1 C4 C5 . . 124.2(2)
O1 C4 C3 . . 116.0(2)
C5 C4 C3 . . 119.8(2)
C6 C5 C4 . . 118.7(2)
C6 C5 H5 . . 120.6
C4 C5 H5 . . 120.6
C1 C6 C5 . . 122.2(2)
C1 C6 H6 . . 118.9
C5 C6 H6 . . 118.9
O1 C7 C8 . . 108.0(2)
O1 C7 H7A . . 110.1
C8 C7 H7A . . 110.1
O1 C7 H7B . . 110.1
C8 C7 H7B . . 110.1
H7A C7 H7B . . 108.4
C7 C8 H8A . . 109.5
C7 C8 H8B . . 109.5
H8A C8 H8B . . 109.5
C7 C8 H8C . . 109.5
H8A C8 H8C . . 109.5
H8B C8 H8C . . 109.5
O2 C9 C11 . . 107.6(2)
O2 C9 C10 . . 106.3(2)
C11 C9 C10 . . 114.4(2)
O2 C9 H9 . . 109.5
C11 C9 H9 . . 109.5
C10 C9 H9 . . 109.5
C9 C10 H10A . . 109.5
C9 C10 H10B . . 109.5
H10A C10 H10B . . 109.5
C9 C10 H10C . . 109.5
H10A C10 H10C . . 109.5
H10B C10 H10C . . 109.5
C9 C11 H11A . . 109.5
C9 C11 H11B . . 109.5
H11A C11 H11B . . 109.5
C9 C11 H11C . . 109.5
H11A C11 H11C . . 109.5
H11B C11 H11C . . 109.5
C13 C12 C17 . . 118.5(2)
C13 C12 P2 . . 119.0(2)
C17 C12 P2 . . 122.4(2)
C12 C13 C14 . . 121.8(3)
C12 C13 H13 . . 119.1
C14 C13 H13 . . 119.1
C13 C14 C15 . . 119.2(3)
C13 C14 H14 . . 120.4
C15 C14 H14 . . 120.4
O3 C15 C16 . . 116.5(2)
O3 C15 C14 . . 124.0(3)
C16 C15 C14 . . 119.6(2)
C17 C16 C15 . . 120.6(3)
C17 C16 H16 . . 119.7
C15 C16 H16 . . 119.7
C16 C17 C12 . . 120.3(3)
C16 C17 H17 . . 119.9
C12 C17 H17 . . 119.9
O3 C18 C19 . . 107.8(2)
O3 C18 H18A . . 110.1
C19 C18 H18A . . 110.1
O3 C18 H18B . . 110.1
C19 C18 H18B . . 110.1
H18A C18 H18B . . 108.5
C18 C19 H19A . . 109.5
C18 C19 H19B . . 109.5
H19A C19 H19B . . 109.5
C18 C19 H19C . . 109.5
H19A C19 H19C . . 109.5
H19B C19 H19C . . 109.5
O4 C20 C21 . . 108.4(2)
O4 C20 C22 . . 105.6(2)
C21 C20 C22 . . 113.5(3)
O4 C20 H20 . . 109.7
C21 C20 H20 . . 109.7
C22 C20 H20 . . 109.7
C20 C21 H21A . . 109.5
C20 C21 H21B . . 109.5
H21A C21 H21B . . 109.5
C20 C21 H21C . . 109.5
H21A C21 H21C . . 109.5
H21B C21 H21C . . 109.5
C20 C22 H22A . . 109.5
C20 C22 H22B . . 109.5
H22A C22 H22B . . 109.5
C20 C22 H22C . . 109.5
H22A C22 H22C . . 109.5
H22B C22 H22C . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Hg1 S3 2_675 2.3997(7)
Hg1 S1 . 2.4042(8)
Hg1 S4 . 2.8105(8)
Hg1 S2 . 2.9361(9)
S1 P1 . 2.0519(11)
S2 P1 . 1.9681(10)
S3 P2 . 2.0568(10)
S3 Hg1 2_675 2.3998(7)
S4 P2 . 1.9699(11)
P1 O2 . 1.5807(17)
P1 C1 . 1.788(3)
P2 O4 . 1.5848(18)
P2 C12 . 1.791(2)
O1 C4 . 1.363(3)
O1 C7 . 1.435(3)
O2 C9 . 1.476(3)
O3 C15 . 1.357(3)
O3 C18 . 1.433(3)
O4 C20 . 1.475(3)
C1 C6 . 1.375(3)
C1 C2 . 1.395(3)
C2 C3 . 1.374(4)
C2 H2 . 0.9500
C3 C4 . 1.389(4)
C3 H3 . 0.9500
C4 C5 . 1.389(3)
C5 C6 . 1.379(4)
C5 H5 . 0.9500
C6 H6 . 0.9500
C7 C8 . 1.498(4)
C7 H7A . 0.9900
C7 H7B . 0.9900
C8 H8A . 0.9800
C8 H8B . 0.9800
C8 H8C . 0.9800
C9 C11 . 1.499(4)
C9 C10 . 1.509(4)
C9 H9 . 1.0000
C10 H10A . 0.9800
C10 H10B . 0.9800
C10 H10C . 0.9800
C11 H11A . 0.9800
C11 H11B . 0.9800
C11 H11C . 0.9800
C12 C13 . 1.377(4)
C12 C17 . 1.398(4)
C13 C14 . 1.382(4)
C13 H13 . 0.9500
C14 C15 . 1.393(4)
C14 H14 . 0.9500
C15 C16 . 1.383(4)
C16 C17 . 1.380(4)
C16 H16 . 0.9500
C17 H17 . 0.9500
C18 C19 . 1.507(4)
C18 H18A . 0.9900
C18 H18B . 0.9900
C19 H19A . 0.9800
C19 H19B . 0.9800
C19 H19C . 0.9800
C20 C21 . 1.500(4)
C20 C22 . 1.501(4)
C20 H20 . 1.0000
C21 H21A . 0.9800
C21 H21B . 0.9800
C21 H21C . 0.9800
C22 H22A . 0.9800
C22 H22B . 0.9800
C22 H22C . 0.9800
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion
S3 Hg1 S1 P1 2_675 -110.80(6)
S4 Hg1 S1 P1 . 87.19(4)
S2 Hg1 S1 P1 . -5.07(3)
S3 Hg1 S2 P1 2_675 159.53(3)
S1 Hg1 S2 P1 . 5.38(3)
S4 Hg1 S2 P1 . -105.91(3)
S3 Hg1 S4 P2 2_675 -104.88(4)
S1 Hg1 S4 P2 . 67.51(4)
S2 Hg1 S4 P2 . 145.58(3)
Hg1 S2 P1 O2 . -129.47(8)
Hg1 S2 P1 C1 . 114.96(9)
Hg1 S2 P1 S1 . -6.59(4)
Hg1 S1 P1 O2 . 134.79(7)
Hg1 S1 P1 C1 . -117.84(8)
Hg1 S1 P1 S2 . 7.92(5)
Hg1 S4 P2 O4 . -105.45(8)
Hg1 S4 P2 C12 . 140.49(9)
Hg1 S4 P2 S3 . 14.94(4)
Hg1 S3 P2 O4 2_675 -165.11(7)
Hg1 S3 P2 C12 2_675 -58.41(10)
Hg1 S3 P2 S4 2_675 69.71(4)
C1 P1 O2 C9 . -173.8(2)
S2 P1 O2 C9 . 62.9(2)
S1 P1 O2 C9 . -62.0(2)
C12 P2 O4 C20 . 167.3(2)
S4 P2 O4 C20 . 45.6(2)
S3 P2 O4 C20 . -80.2(2)
O2 P1 C1 C6 . -158.7(2)
S2 P1 C1 C6 . -35.1(2)
S1 P1 C1 C6 . 89.0(2)
O2 P1 C1 C2 . 26.9(2)
S2 P1 C1 C2 . 150.5(2)
S1 P1 C1 C2 . -85.5(2)
C6 C1 C2 C3 . -2.1(4)
P1 C1 C2 C3 . 172.4(2)
C1 C2 C3 C4 . -0.9(5)
C7 O1 C4 C5 . 2.9(4)
C7 O1 C4 C3 . -177.9(3)
C2 C3 C4 O1 . -175.5(3)
C2 C3 C4 C5 . 3.7(4)
O1 C4 C5 C6 . 175.7(2)
C3 C4 C5 C6 . -3.5(4)
C2 C1 C6 C5 . 2.3(4)
P1 C1 C6 C5 . -172.3(2)
C4 C5 C6 C1 . 0.5(4)
C4 O1 C7 C8 . -178.8(3)
P1 O2 C9 C11 . -108.9(2)
P1 O2 C9 C10 . 128.1(2)
O4 P2 C12 C13 . 56.8(2)
S4 P2 C12 C13 . 178.5(2)
S3 P2 C12 C13 . -52.8(2)
O4 P2 C12 C17 . -119.7(2)
S4 P2 C12 C17 . 2.0(3)
S3 P2 C12 C17 . 130.7(2)
C17 C12 C13 C14 . 2.3(4)
P2 C12 C13 C14 . -174.3(2)
C12 C13 C14 C15 . -1.1(4)
C18 O3 C15 C16 . 171.0(3)
C18 O3 C15 C14 . -9.7(4)
C13 C14 C15 O3 . 179.3(3)
C13 C14 C15 C16 . -1.4(4)
O3 C15 C16 C17 . -178.1(2)
C14 C15 C16 C17 . 2.5(4)
C15 C16 C17 C12 . -1.2(4)
C13 C12 C17 C16 . -1.2(4)
P2 C12 C17 C16 . 175.3(2)
C15 O3 C18 C19 . -178.4(2)
P2 O4 C20 C21 . 107.9(2)
P2 O4 C20 C22 . -130.0(2)
