#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/13/7031334.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_7031334
loop_
_publ_author_name
'Zehnder, Thomas N.'
'Blacque, Olivier'
'Venkatesan, Koushik'
_publ_section_title
;
 Luminescent monocyclometalated cationic gold(iii) complexes: synthesis,
 photophysical characterization and catalytic investigations.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11959
_journal_page_last               11972
_journal_paper_doi               10.1039/c4dt01187b
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C26 H16 Au F10 N2, C F3 O3 S, 0.1(C H2 Cl2)'
_chemical_formula_sum            'C27.1 H16.2 Au Cl0.2 F13 N2 O3 S'
_chemical_formula_weight         900.95
_chemical_name_systematic
;(4-fluoroaniline-κN)[2-(pyridin-2-yl-κN)phenyl-κC¹][2,4,6-tris(trifluoromethyl)phenyl]gold(+) trifluoromethanesulfonate(-)
dichloromethane solvate 1/1/0.1
;
_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
_audit_update_record
;
2013-10-30 # Formatted by publCIF
;
_cell_angle_alpha                94.426(2)
_cell_angle_beta                 110.350(2)
_cell_angle_gamma                93.672(2)
_cell_formula_units_Z            2
_cell_length_a                   10.0798(2)
_cell_length_b                   12.6213(3)
_cell_length_c                   12.7654(3)
_cell_measurement_reflns_used    22534
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      32.45
_cell_measurement_theta_min      2.77
_cell_volume                     1510.92(6)
_computing_cell_refinement
;
CrysAlisPro, version 1.171.36.20 ((Agilent Technologies, 2012)
;
_computing_data_collection
;
CrysAlisPro, version 1.171.36.20 (Agilent Technologies, 2012)
;
_computing_data_reduction
;
CrysAlisPro, version 1.171.36.20 (Agilent Technologies, 2012)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997) and/or Mercury (Macrae et
al.,
2006)
;
_computing_publication_material
; 
WinGX (Farrugia, 1999), PLATON for Windows (Spek, 2003) and
publCIF (Westrip, 2010)
;
_computing_structure_refinement  ' SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    ' SHELXS97 (Sheldrick, 2008) '
_diffrn_ambient_temperature      183(2)
_diffrn_detector_area_resol_mean 10.4498
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_device_type  'Xcalibur, Ruby'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_av_sigmaI/netI    0.0340
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            47080
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         32.52
_diffrn_reflns_theta_min         2.78
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.069
_exptl_absorpt_correction_T_max  0.686
_exptl_absorpt_correction_T_min  0.333
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Version 1.171.36.20 (Agilent Technologies, 2012)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.980
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.271
_refine_diff_density_min         -0.690
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         10154
_refine_ls_number_restraints     55
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0245
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0250P)²+0.3358P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0541
_refine_ls_wR_factor_ref         0.0565
_reflns_number_gt                9274
_reflns_number_total             10154
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01187b2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7031331--7031336.cif.'
_cod_original_formula_sum        'C27.10 H16.20 Au Cl0.20 F13 N2 O3 S'
_cod_database_code               7031334
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3159(3) 0.5687(2) 1.0427(2) 0.0351(5) Uani 1 1 d . . .
H1 H 0.2250 0.5333 1.0189 0.042 Uiso 1 1 calc R . .
C2 C 0.4233(3) 0.5318(3) 1.1285(2) 0.0435(7) Uani 1 1 d . . .
H2 H 0.4055 0.4726 1.1625 0.052 Uiso 1 1 calc R . .
C3 C 0.5586(3) 0.5855(3) 1.1627(2) 0.0456(7) Uani 1 1 d . . .
H3 H 0.6330 0.5625 1.2204 0.055 Uiso 1 1 calc R . .
C4 C 0.5822(3) 0.6727(2) 1.1111(2) 0.0374(6) Uani 1 1 d . . .
H4 H 0.6726 0.7089 1.1336 0.045 Uiso 1 1 calc R . .
C5 C 0.4705(2) 0.70686(19) 1.02503(19) 0.0262(4) Uani 1 1 d . . .
C6 C 0.4825(2) 0.79664(18) 0.96149(19) 0.0247(4) Uani 1 1 d . . .
C7 C 0.3616(2) 0.81541(19) 0.87227(19) 0.0251(4) Uani 1 1 d . . .
C8 C 0.3675(3) 0.8986(2) 0.8083(2) 0.0311(5) Uani 1 1 d . . .
H8 H 0.2874 0.9106 0.7484 0.037 Uiso 1 1 calc R . .
C9 C 0.4933(3) 0.9636(2) 0.8343(2) 0.0336(5) Uani 1 1 d . . .
H9 H 0.4968 1.0197 0.7919 0.040 Uiso 1 1 calc R . .
C10 C 0.6133(3) 0.9462(2) 0.9225(2) 0.0327(5) Uani 1 1 d . . .
H10 H 0.6971 0.9903 0.9392 0.039 Uiso 1 1 calc R . .
C11 C 0.6088(2) 0.8626(2) 0.9863(2) 0.0313(5) Uani 1 1 d . . .
H11 H 0.6897 0.8506 1.0456 0.038 Uiso 1 1 calc R . .
C12 C -0.1325(2) 0.6243(2) 0.7748(2) 0.0295(5) Uani 1 1 d . . .
C13 C -0.1810(3) 0.5715(2) 0.6673(2) 0.0432(6) Uani 1 1 d . . .
H13 H -0.1263 0.5231 0.6469 0.052 Uiso 1 1 calc R . .
C14 C -0.3103(3) 0.5904(3) 0.5903(2) 0.0530(8) Uani 1 1 d . . .
H14 H -0.3434 0.5557 0.5178 0.064 Uiso 1 1 calc R . .
C15 C -0.3886(3) 0.6617(3) 0.6237(3) 0.0473(7) Uani 1 1 d . . .
C16 C -0.3458(3) 0.7114(2) 0.7300(2) 0.0386(6) Uani 1 1 d . . .
H16 H -0.4030 0.7575 0.7507 0.046 Uiso 1 1 calc R . .
C17 C -0.2153(3) 0.6925(2) 0.8075(2) 0.0328(5) Uani 1 1 d . . .
H17 H -0.1844 0.7257 0.8807 0.039 Uiso 1 1 calc R . .
C18 C 0.0697(2) 0.77638(19) 0.71669(18) 0.0246(4) Uani 1 1 d . . .
C19 C 0.0629(3) 0.7311(2) 0.6104(2) 0.0326(5) Uani 1 1 d . . .
C20 C -0.0278(3) 0.7654(2) 0.5121(2) 0.0404(6) Uani 1 1 d . . .
H20 H -0.0322 0.7340 0.4425 0.048 Uiso 1 1 calc R . .
C21 C -0.1110(3) 0.8461(3) 0.5185(2) 0.0422(7) Uani 1 1 d . A .
C22 C -0.1029(3) 0.8946(2) 0.6223(2) 0.0363(5) Uani 1 1 d . . .
H22 H -0.1577 0.9503 0.6260 0.044 Uiso 1 1 calc R . .
C23 C -0.0133(2) 0.85998(19) 0.72030(19) 0.0269(4) Uani 1 1 d . . .
C24 C 0.1534(3) 0.6441(3) 0.5993(2) 0.0421(6) Uani 1 1 d . . .
C25 C -0.2111(4) 0.8826(3) 0.4127(3) 0.0718(11) Uani 1 1 d DU . .
C26 C -0.0025(3) 0.9227(2) 0.8285(2) 0.0318(5) Uani 1 1 d . . .
Au1 Au 0.190514(8) 0.714482(6) 0.855852(6) 0.02272(3) Uani 1 1 d . . .
F1 F -0.5127(2) 0.6832(2) 0.54626(17) 0.0782(7) Uani 1 1 d . . .
F2 F 0.1377(3) 0.6141(2) 0.49414(16) 0.0818(8) Uani 1 1 d . . .
F3 F 0.1264(2) 0.55598(16) 0.64408(19) 0.0619(5) Uani 1 1 d . . .
F4 F 0.2916(2) 0.67133(18) 0.65288(18) 0.0682(6) Uani 1 1 d . . .
F5A F -0.3380(7) 0.8315(10) 0.3805(9) 0.114(3) Uani 0.652(18) 1 d PDU A 1
F6A F -0.1706(10) 0.8679(9) 0.3254(5) 0.097(2) Uani 0.652(18) 1 d PDU A 1
F7A F -0.2225(13) 0.9869(4) 0.4264(5) 0.093(2) Uani 0.652(18) 1 d PDU A 1
F5B F -0.1401(14) 0.9115(15) 0.3486(11) 0.093(4) Uani 0.348(18) 1 d PDU A 2
F6B F -0.2964(19) 0.9519(18) 0.4281(9) 0.103(4) Uani 0.348(18) 1 d PDU A 2
F7B F -0.3035(16) 0.8018(10) 0.3536(13) 0.100(4) Uani 0.348(18) 1 d PDU A 2
F8 F 0.02998(19) 0.86820(13) 0.91775(12) 0.0441(4) Uani 1 1 d . . .
F9 F -0.12368(19) 0.96404(17) 0.82032(15) 0.0543(5) Uani 1 1 d . . .
F10 F 0.0975(2) 1.00505(14) 0.85456(15) 0.0534(5) Uani 1 1 d . . .
N1 N 0.3386(2) 0.65422(16) 0.99269(16) 0.0260(4) Uani 1 1 d . . .
N2 N 0.0091(2) 0.60815(17) 0.85002(18) 0.0320(4) Uani 1 1 d . . .
H2A H 0.0261 0.5412 0.8322 0.038 Uiso 1 1 calc R . .
H2B H 0.0070 0.6111 0.9201 0.038 Uiso 1 1 calc R . .
C27 C 0.1633(3) 0.7509(3) 1.2420(3) 0.0460(7) Uani 1 1 d . . .
F11 F 0.2533(2) 0.68313(19) 1.2929(2) 0.0750(6) Uani 1 1 d . . .
F12 F 0.1508(3) 0.82162(19) 1.31933(19) 0.0798(7) Uani 1 1 d . . .
F13 F 0.2199(2) 0.80319(18) 1.1791(2) 0.0712(6) Uani 1 1 d . . .
O1 O -0.0931(2) 0.76321(17) 1.10752(19) 0.0477(5) Uani 1 1 d . . .
O2 O 0.0257(2) 0.60975(16) 1.07749(17) 0.0456(5) Uani 1 1 d . . .
O3 O -0.0527(2) 0.62376(18) 1.23424(17) 0.0477(5) Uani 1 1 d . . .
S1 S -0.00859(7) 0.68086(5) 1.15678(5) 0.03087(12) Uani 1 1 d . . .
Cl1 Cl -0.419(4) 0.9815(19) 0.610(4) 0.099(8) Uani 0.10 1 d PD . 1
C28 C -0.442(8) 1.085(5) 0.515(4) 0.099(8) Uani 0.05 1 d PD . 1
H28A H -0.4722 1.1488 0.5440 0.119 Uiso 0.05 1 calc PR . 1
H28B H -0.3553 1.1036 0.5008 0.119 Uiso 0.05 1 calc PR . 1
Cl2 Cl -0.561(4) 1.0676(19) 0.406(4) 0.099(8) Uani 0.10 1 d PD . 2
C29 C -0.566(9) 0.936(4) 0.453(5) 0.099(8) Uani 0.05 1 d PD . 2
H29A H -0.6608 0.9147 0.4518 0.119 Uiso 0.05 1 calc PR . 2
H29B H -0.5447 0.8844 0.4018 0.119 Uiso 0.05 1 calc PR . 2
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'
Au Au -2.0133 8.8022 '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'
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'
Cl Cl 0.1484 0.1585 '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
N1 C1 C2 122.0(2) .
N1 C1 H1 119.0 .
C2 C1 H1 119.0 .
C1 C2 C3 118.2(3) .
C1 C2 H2 120.9 .
C3 C2 H2 120.9 .
C4 C3 C2 119.8(3) .
C4 C3 H3 120.1 .
C2 C3 H3 120.1 .
C3 C4 C5 119.8(2) .
C3 C4 H4 120.1 .
C5 C4 H4 120.1 .
N1 C5 C4 119.9(2) .
N1 C5 C6 115.0(2) .
C4 C5 C6 125.1(2) .
C7 C6 C11 119.5(2) .
C7 C6 C5 117.6(2) .
C11 C6 C5 122.9(2) .
C8 C7 C6 120.1(2) .
C8 C7 Au1 127.25(18) .
C6 C7 Au1 112.66(16) .
C9 C8 C7 119.7(2) .
C9 C8 H8 120.1 .
C7 C8 H8 120.1 .
C10 C9 C8 120.8(2) .
C10 C9 H9 119.6 .
C8 C9 H9 119.6 .
C9 C10 C11 119.9(2) .
C9 C10 H10 120.0 .
C11 C10 H10 120.0 .
C10 C11 C6 120.0(2) .
C10 C11 H11 120.0 .
C6 C11 H11 120.0 .
C17 C12 C13 120.4(2) .
C17 C12 N2 121.4(2) .
C13 C12 N2 118.2(2) .
C14 C13 C12 120.3(3) .
C14 C13 H13 119.9 .
C12 C13 H13 119.9 .
C15 C14 C13 118.2(3) .
C15 C14 H14 120.9 .
C13 C14 H14 120.9 .
F1 C15 C16 119.6(3) .
F1 C15 C14 117.9(3) .
C16 C15 C14 122.6(3) .
C15 C16 C17 119.2(3) .
C15 C16 H16 120.4 .
C17 C16 H16 120.4 .
C12 C17 C16 119.3(2) .
C12 C17 H17 120.4 .
C16 C17 H17 120.4 .
C23 C18 C19 117.8(2) .
C23 C18 Au1 122.87(16) .
C19 C18 Au1 119.31(18) .
C20 C19 C18 121.2(2) .
C20 C19 C24 117.7(2) .
C18 C19 C24 121.1(2) .
C21 C20 C19 119.6(2) .
C21 C20 H20 120.2 .
C19 C20 H20 120.2 .
C20 C21 C22 120.4(2) .
C20 C21 C25 120.0(3) .
C22 C21 C25 119.6(3) .
C23 C22 C21 120.1(3) .
C23 C22 H22 120.0 .
C21 C22 H22 120.0 .
C22 C23 C18 120.9(2) .
C22 C23 C26 116.4(2) .
C18 C23 C26 122.5(2) .
F2 C24 F4 106.2(2) .
F2 C24 F3 106.9(3) .
F4 C24 F3 104.1(3) .
F2 C24 C19 113.0(3) .
F4 C24 C19 113.2(2) .
F3 C24 C19 112.7(2) .
F6B C25 F5B 114.6(11) .
F5A C25 F6A 104.9(5) .
F6B C25 F7B 101.2(9) .
F5B C25 F7B 105.8(9) .
F5A C25 F7A 108.7(5) .
F6A C25 F7A 105.7(5) .
F5A C25 C21 112.3(5) .
F6B C25 C21 115.0(6) .
F5B C25 C21 109.8(7) .
F6A C25 C21 114.0(4) .
F7B C25 C21 109.7(8) .
F7A C25 C21 110.9(4) .
F8 C26 F9 106.3(2) .
F8 C26 F10 106.2(2) .
F9 C26 F10 106.4(2) .
F8 C26 C23 115.3(2) .
F9 C26 C23 111.5(2) .
F10 C26 C23 110.5(2) .
C7 Au1 C18 92.09(9) .
C7 Au1 N1 81.59(8) .
C18 Au1 N1 172.32(8) .
C7 Au1 N2 176.20(8) .
C18 Au1 N2 90.56(8) .
N1 Au1 N2 95.97(8) .
C1 N1 C5 120.2(2) .
C1 N1 Au1 126.57(17) .
C5 N1 Au1 113.06(15) .
C12 N2 Au1 119.64(15) .
C12 N2 H2A 107.4 .
Au1 N2 H2A 107.4 .
C12 N2 H2B 107.4 .
Au1 N2 H2B 107.4 .
H2A N2 H2B 106.9 .
F11 C27 F12 108.6(3) .
F11 C27 F13 107.8(3) .
F12 C27 F13 107.5(3) .
F11 C27 S1 110.9(2) .
F12 C27 S1 111.0(2) .
F13 C27 S1 110.9(2) .
O1 S1 O3 116.58(13) .
O1 S1 O2 114.25(13) .
O3 S1 O2 112.04(13) .
O1 S1 C27 104.51(15) .
O3 S1 C27 104.63(14) .
O2 S1 C27 102.99(14) .
C28 Cl1 C28 79(4) 2_476
Cl1 C28 Cl1 101(4) 2_476
Cl1 C28 H28A 111.6 2_476
Cl1 C28 H28A 111.6 .
Cl1 C28 H28B 111.6 2_476
Cl1 C28 H28B 111.6 .
H28A C28 H28B 109.4 .
C29 Cl2 C29 68(4) 2_476
Cl2 C29 Cl2 112(4) 2_476
Cl2 C29 H29A 109.3 2_476
Cl2 C29 H29A 109.3 .
Cl2 C29 H29B 109.3 2_476
Cl2 C29 H29B 109.3 .
H29A C29 H29B 107.9 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.342(3) .
C1 C2 1.381(4) .
C1 H1 0.9300 .
C2 C3 1.390(4) .
C2 H2 0.9300 .
C3 C4 1.375(4) .
C3 H3 0.9300 .
C4 C5 1.391(3) .
C4 H4 0.9300 .
C5 N1 1.357(3) .
C5 C6 1.466(3) .
C6 C7 1.397(3) .
C6 C11 1.399(3) .
C7 C8 1.389(3) .
C7 Au1 2.017(2) .
C8 C9 1.387(3) .
C8 H8 0.9300 .
C9 C10 1.380(4) .
C9 H9 0.9300 .
C10 C11 1.389(4) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 C17 1.375(3) .
C12 C13 1.384(4) .
C12 N2 1.455(3) .
C13 C14 1.381(4) .
C13 H13 0.9300 .
C14 C15 1.371(4) .
C14 H14 0.9300 .
C15 F1 1.357(3) .
C15 C16 1.359(4) .
C16 C17 1.392(4) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C23 1.395(3) .
C18 C19 1.409(3) .
C18 Au1 2.020(2) .
C19 C20 1.391(4) .
C19 C24 1.501(4) .
C20 C21 1.375(4) .
C20 H20 0.9300 .
C21 C22 1.389(4) .
C21 C25 1.504(4) .
C22 C23 1.386(3) .
C22 H22 0.9300 .
C23 C26 1.505(3) .
C24 F2 1.318(3) .
C24 F4 1.329(3) .
C24 F3 1.343(4) .
C25 F5A 1.307(6) .
C25 F6B 1.315(7) .
C25 F5B 1.317(7) .
C25 F6A 1.318(5) .
C25 F7B 1.322(7) .
C25 F7A 1.332(5) .
C26 F8 1.330(3) .
C26 F9 1.332(3) .
C26 F10 1.336(3) .
Au1 N1 2.0965(19) .
Au1 N2 2.174(2) .
N2 H2A 0.9000 .
N2 H2B 0.9000 .
C27 F11 1.323(4) .
C27 F12 1.324(4) .
C27 F13 1.326(4) .
C27 S1 1.820(3) .
O1 S1 1.429(2) .
O2 S1 1.447(2) .
O3 S1 1.439(2) .
Cl1 C28 1.816(10) 2_476
Cl1 C28 1.820(10) .
C28 Cl1 1.816(10) 2_476
C28 H28A 0.9700 .
C28 H28B 0.9700 .
Cl2 C29 1.816(10) 2_476
Cl2 C29 1.818(10) .
C29 Cl2 1.816(10) 2_476
C29 H29A 0.9700 .
C29 H29B 0.9700 .
