#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:43:26 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179986 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/80/7028084.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_7028084
loop_
_publ_author_name
'Shaw, Bernard L.'
'Iranpoor, Nasser'
'Perera, Sarath D.'
'Thornton-Pett, Mark'
'Vessey, Jonathan D.'
_publ_section_title
;
 Complexes of the (1R)-(+)-camphor azine diphosphines
 Z,Z-3,3′-Ph2PnC10H15N--NC10H15PxPh2 and
 Z,Z-3,3′-Ph2PxC10H15N--N C10H15PxPh2
 (x = exo, n = endo) with Group 6 metal
 carbonyls: crystal structures of the ligands and
 fac-[W(CO)3(E,Z-Ph2PxC10H15 N--NC10H15PxPh2)]
;
_journal_issue                   11
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1885
_journal_paper_doi               10.1039/a801585f
_journal_year                    1998
_chemical_formula_sum            'C47 H53 Cl9 N2 P2'
_chemical_formula_weight         1026.90
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 93.796(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.172(2)
_cell_length_b                   10.8054(8)
_cell_length_c                   17.568(2)
_cell_measurement_reflns_used    80
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      40.0
_cell_measurement_theta_min      35.0
_cell_volume                     4957.3(8)
_computing_cell_refinement       'Stoe DIF4'
_computing_data_collection       'Stoe DIF4'
_computing_data_reduction        'Stoe REDU4'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measurement_device       'Stoe STADI4'
_diffrn_measurement_method       ω-θ-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0262
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4258
_diffrn_reflns_theta_max         64.52
_diffrn_reflns_theta_min         2.52
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.529
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.781
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_description       prism
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.524
_refine_diff_density_min         -0.539
_refine_diff_density_rms         0.062
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(2)
_refine_ls_extinction_coef       0.00011(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.138
_refine_ls_goodness_of_fit_obs   1.239
_refine_ls_matrix_type           full
_refine_ls_number_parameters     557
_refine_ls_number_reflns         4248
_refine_ls_number_restraints     205
_refine_ls_restrained_S_all      1.156
_refine_ls_restrained_S_obs      1.233
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_obs          0.0508
_refine_ls_shift/esd_max         0.011
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1017P)²+2.1829P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1517
_refine_ls_wR_factor_obs         0.1454
_reflns_number_observed          3489
_reflns_number_total             4258
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            f801585sup1.cif
_cod_data_source_block           nasser2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1017P)^2^+2.1829P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1017P)^2^+2.1829P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4957.2(8)
_cod_original_sg_symbol_H-M      C2
_cod_database_code               7028084
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
P1 P 0.33795(5) 0.4063 0.70118(7) 0.0325(3) Uani 1 d D
C111 C 0.3858(2) 0.5260(5) 0.6826(3) 0.0351(12) Uani 1 d D
C112 C 0.3978(2) 0.6289(6) 0.7269(3) 0.0453(15) Uani 1 d D
H112 H 0.3823(2) 0.6387(6) 0.7740(3) 0.054 Uiso 1 calc R
C113 C 0.4321(3) 0.7191(6) 0.7044(4) 0.056(2) Uani 1 d D
H113 H 0.4394(3) 0.7897(6) 0.7355(4) 0.067 Uiso 1 calc R
C114 C 0.4554(3) 0.7045(7) 0.6363(4) 0.058(2) Uani 1 d D
H114 H 0.4792(3) 0.7644(7) 0.6209(4) 0.070 Uiso 1 calc R
C115 C 0.4439(2) 0.6032(7) 0.5915(4) 0.056(2) Uani 1 d D
H115 H 0.4593(2) 0.5938(7) 0.5444(4) 0.067 Uiso 1 calc R
C116 C 0.4101(2) 0.5150(7) 0.6143(3) 0.049(2) Uani 1 d D
H116 H 0.4031(2) 0.4448(7) 0.5827(3) 0.058 Uiso 1 calc R
C121 C 0.3814(2) 0.2720(5) 0.7035(3) 0.0333(12) Uani 1 d D
C122 C 0.4303(2) 0.2703(6) 0.7426(3) 0.0402(13) Uani 1 d D
H122 H 0.4417(2) 0.3403(6) 0.7717(3) 0.048 Uiso 1 calc R
C123 C 0.4621(2) 0.1673(6) 0.7390(4) 0.0473(15) Uani 1 d D
H123 H 0.4945(2) 0.1666(6) 0.7667(4) 0.057 Uiso 1 calc R
C124 C 0.4467(2) 0.0669(6) 0.6954(4) 0.053(2) Uani 1 d D
H124 H 0.4690(2) -0.0021(6) 0.6916(4) 0.063 Uiso 1 calc R
C125 C 0.3990(2) 0.0661(6) 0.6570(4) 0.054(2) Uani 1 d D
H125 H 0.3880(2) -0.0040(6) 0.6277(4) 0.064 Uiso 1 calc R
C126 C 0.3673(2) 0.1682(6) 0.6614(3) 0.0431(14) Uani 1 d D
H126 H 0.3346(2) 0.1668(6) 0.6345(3) 0.052 Uiso 1 calc R
P2 P 0.16652(5) 0.7433(2) 0.81335(8) 0.0343(3) Uani 1 d D
C211 C 0.1205(2) 0.8746(5) 0.8106(3) 0.0389(13) Uani 1 d D
C212 C 0.0746(2) 0.8743(6) 0.7652(3) 0.0421(14) Uani 1 d D
H212 H 0.0658(2) 0.8048(6) 0.7339(3) 0.050 Uiso 1 calc R
C213 C 0.0419(2) 0.9750(6) 0.7656(4) 0.053(2) Uani 1 d D
H213 H 0.0106(2) 0.9743(6) 0.7350(4) 0.063 Uiso 1 calc R
C214 C 0.0548(3) 1.0767(6) 0.8107(4) 0.059(2) Uani 1 d D
H214 H 0.0325(3) 1.1460(6) 0.8106(4) 0.071 Uiso 1 calc R
C215 C 0.0994(3) 1.0777(7) 0.8551(4) 0.059(2) Uani 1 d D
H215 H 0.1079(3) 1.1477(7) 0.8861(4) 0.071 Uiso 1 calc R
C216 C 0.1326(2) 0.9775(6) 0.8556(3) 0.0451(14) Uani 1 d D
H216 H 0.1637(2) 0.9794(6) 0.8868(3) 0.054 Uiso 1 calc R
C221 C 0.1195(2) 0.6185(5) 0.8253(3) 0.0349(12) Uani 1 d D
C222 C 0.1078(2) 0.5229(6) 0.7757(3) 0.0435(14) Uani 1 d D
H222 H 0.1245(2) 0.5178(6) 0.7295(3) 0.052 Uiso 1 calc R
C223 C 0.0722(3) 0.4337(7) 0.7919(4) 0.056(2) Uani 1 d D
H223 H 0.0637(3) 0.3706(7) 0.7556(4) 0.067 Uiso 1 calc R
C224 C 0.0489(2) 0.4350(6) 0.8594(4) 0.055(2) Uani 1 d D
H224 H 0.0252(2) 0.3721(6) 0.8707(4) 0.066 Uiso 1 calc R
C225 C 0.0605(2) 0.5292(7) 0.9108(4) 0.054(2) Uani 1 d D
H225 H 0.0445(2) 0.5317(7) 0.9578(4) 0.065 Uiso 1 calc R
C226 C 0.0953(2) 0.6204(6) 0.8940(3) 0.0457(14) Uani 1 d D
H226 H 0.1029(2) 0.6849(6) 0.9297(3) 0.055 Uiso 1 calc R
C1 C 0.2543(2) 0.3824(6) 0.8826(3) 0.0348(12) Uani 1 d .
C2 C 0.2695(2) 0.4611(6) 0.8161(3) 0.0336(12) Uani 1 d .
C3 C 0.3254(2) 0.4345(5) 0.8036(3) 0.0317(11) Uani 1 d .
H3 H 0.3455(2) 0.5094(5) 0.8206(3) 0.038 Uiso 1 calc R
C4 C 0.3367(2) 0.3319(5) 0.8648(3) 0.0319(11) Uani 1 d .
H4 H 0.3665(2) 0.2778(5) 0.8550(3) 0.038 Uiso 1 calc R
C5 C 0.3413(2) 0.3992(6) 0.9422(3) 0.0394(12) Uani 1 d .
H5A H 0.3643(2) 0.4718(6) 0.9407(3) 0.047 Uiso 1 calc R
H5B H 0.3541(2) 0.3430(6) 0.9836(3) 0.047 Uiso 1 calc R
C6 C 0.2850(2) 0.4396(6) 0.9524(3) 0.0457(14) Uani 1 d .
H6A H 0.2729(2) 0.4069(6) 1.0007(3) 0.055 Uiso 1 calc R
H6B H 0.2819(2) 0.5309(6) 0.9524(3) 0.055 Uiso 1 calc R
C7 C 0.2853(2) 0.2620(5) 0.8684(3) 0.0340(11) Uani 1 d .
C8 C 0.2672(3) 0.1960(6) 0.7954(4) 0.0489(15) Uani 1 d .
H8A H 0.2323(8) 0.1649(40) 0.8000(11) 0.073 Uiso 1 calc R
H8B H 0.2901(11) 0.1265(28) 0.7866(15) 0.073 Uiso 1 calc R
H8C H 0.2673(18) 0.2539(14) 0.7525(6) 0.073 Uiso 1 calc R
C9 C 0.2843(3) 0.1689(6) 0.9340(4) 0.0469(14) Uani 1 d .
H9A H 0.3087(13) 0.1020(23) 0.9260(14) 0.070 Uiso 1 calc R
H9B H 0.2498(5) 0.1344(32) 0.9357(17) 0.070 Uiso 1 calc R
H9C H 0.2939(17) 0.2107(11) 0.9824(5) 0.070 Uiso 1 calc R
C10 C 0.1976(2) 0.3689(7) 0.8917(4) 0.053(2) Uani 1 d .
H10A H 0.1829(4) 0.4501(10) 0.9019(27) 0.080 Uiso 1 calc R
H10B H 0.1922(2) 0.3131(37) 0.9345(19) 0.080 Uiso 1 calc R
H10C H 0.1809(4) 0.3346(42) 0.8448(12) 0.080 Uiso 1 calc R
N1 N 0.2386(2) 0.5381(5) 0.7820(3) 0.0361(11) Uani 1 d .
N2 N 0.2636(2) 0.6057(5) 0.7255(3) 0.0384(11) Uani 1 d .
C11 C 0.2543(2) 0.7801(6) 0.6351(3) 0.0407(14) Uani 1 d .
C12 C 0.2350(2) 0.6915(6) 0.6951(3) 0.0353(12) Uani 1 d .
C13 C 0.1802(2) 0.7302(6) 0.7096(3) 0.0347(12) Uani 1 d .
H13 H 0.1560(2) 0.6685(6) 0.6847(3) 0.042 Uiso 1 calc R
C14 C 0.1764(2) 0.8516(6) 0.6632(3) 0.0399(13) Uani 1 d .
H14 H 0.1406(2) 0.8829(6) 0.6530(3) 0.048 Uiso 1 calc R
C15 C 0.2134(2) 0.9466(6) 0.7001(3) 0.0445(14) Uani 1 d .
H15A H 0.2065(2) 1.0302(6) 0.6788(3) 0.053 Uiso 1 calc R
H15B H 0.2106(2) 0.9494(6) 0.7561(3) 0.053 Uiso 1 calc R
C16 C 0.2660(2) 0.9008(7) 0.6808(3) 0.0490(14) Uani 1 d .
H16A H 0.2880(2) 0.8838(7) 0.7277(3) 0.059 Uiso 1 calc R
H16B H 0.2833(2) 0.9623(7) 0.6495(3) 0.059 Uiso 1 calc R
C17 C 0.2031(2) 0.8152(6) 0.5909(3) 0.0454(14) Uani 1 d .
C18 C 0.1795(3) 0.7053(8) 0.5462(3) 0.060(2) Uani 1 d .
H18A H 0.1817(19) 0.6311(13) 0.5783(11) 0.090 Uiso 1 calc R
H18B H 0.1982(13) 0.6914(32) 0.5005(17) 0.090 Uiso 1 calc R
H18C H 0.1435(6) 0.7232(22) 0.5312(26) 0.090 Uiso 1 calc R
C19 C 0.2078(3) 0.9238(7) 0.5351(4) 0.057(2) Uani 1 d .
H19A H 0.2239(18) 0.9944(17) 0.5623(7) 0.086 Uiso 1 calc R
H19B H 0.1736(3) 0.9476(32) 0.5139(22) 0.086 Uiso 1 calc R
H19C H 0.2288(16) 0.8986(16) 0.4937(16) 0.086 Uiso 1 calc R
C20 C 0.2982(2) 0.7350(7) 0.5919(4) 0.055(2) Uani 1 d .
H20A H 0.3015(13) 0.7872(32) 0.5468(17) 0.083 Uiso 1 calc R
H20B H 0.2919(10) 0.6492(18) 0.5758(26) 0.083 Uiso 1 calc R
H20C H 0.3299(4) 0.7392(46) 0.6248(11) 0.083 Uiso 1 calc R
Cl1 Cl 0.08315(11) 0.2450(3) 0.05251(14) 0.0960(7) Uani 1 d .
Cl2 Cl 0.10406(9) 0.4647(3) 0.14110(13) 0.0809(6) Uani 1 d .
Cl3 Cl 0.18639(9) 0.2979(3) 0.11059(11) 0.0800(6) Uani 1 d .
C1S C 0.1277(3) 0.3628(7) 0.0755(4) 0.061(2) Uani 1 d .
H1S H 0.1337(3) 0.4099(7) 0.0279(4) 0.073 Uiso 1 calc R
Cl4 Cl 0.09944(9) 0.1617(3) 0.63717(14) 0.0834(7) Uani 1 d .
Cl5 Cl 0.18656(9) 0.3217(3) 0.62123(12) 0.0861(7) Uani 1 d .
Cl6 Cl 0.08791(10) 0.3884(3) 0.55266(14) 0.0963(8) Uani 1 d .
C2S C 0.1293(3) 0.2654(9) 0.5775(4) 0.064(2) Uani 1 d .
H2S H 0.1372(3) 0.2207(9) 0.5298(4) 0.076 Uiso 1 calc R
C3S C 0.5145(5) 0.2559(14) 0.4727(8) 0.061(4) Uani 0.50 d PD
H3S H 0.5414(5) 0.2544(14) 0.4349(8) 0.073 Uiso 0.50 calc PR
Cl7S Cl 0.46217(10) 0.3428(4) 0.4387(2) 0.1079(9) Uani 1 d D
Cl8S Cl 0.5000 0.1104(6) 0.5000 0.153(2) Uani 1 d SD
C4S C 0.0165(5) -0.1325(13) -0.0209(8) 0.063(4) Uani 0.50 d PD
H4S H 0.0469(5) -0.1310(13) -0.0526(8) 0.075 Uiso 0.50 calc PR
Cl9S Cl -0.03200(9) -0.2186(4) -0.06663(14) 0.1152(12) Uani 1 d D
Cl10 Cl 0.0000 0.0112(6) 0.0000 0.187(3) Uani 1 d SD
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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_3
C111 P1 C121 97.5(2) .
C111 P1 C3 102.7(2) .
C121 P1 C3 104.7(2) .
C112 C111 C116 116.9(5) .
C112 C111 P1 126.6(4) .
C116 C111 P1 116.4(4) .
C111 C112 C113 121.8(5) .
C114 C113 C112 119.4(6) .
C115 C114 C113 119.6(6) .
C114 C115 C116 120.4(6) .
C115 C116 C111 121.8(6) .
C126 C121 C122 116.9(5) .
C126 C121 P1 118.9(4) .
C122 C121 P1 124.0(4) .
C123 C122 C121 120.9(5) .
C124 C123 C122 120.1(5) .
C123 C124 C125 120.0(6) .
C124 C125 C126 119.6(6) .
C121 C126 C125 122.4(5) .
C221 P2 C211 97.2(2) .
C221 P2 C13 103.0(3) .
C211 P2 C13 101.4(2) .
C216 C211 C212 118.7(5) .
C216 C211 P2 118.3(4) .
C212 C211 P2 122.9(4) .
C213 C212 C211 120.2(6) .
C214 C213 C212 120.0(6) .
C215 C214 C213 120.2(6) .
C214 C215 C216 120.7(6) .
C211 C216 C215 120.2(6) .
C222 C221 C226 117.6(5) .
C222 C221 P2 126.9(4) .
C226 C221 P2 115.5(4) .
C221 C222 C223 121.3(6) .
C224 C223 C222 121.0(6) .
C223 C224 C225 119.0(6) .
C224 C225 C226 120.1(5) .
C225 C226 C221 121.0(6) .
C10 C1 C2 116.4(5) .
C10 C1 C6 114.6(5) .
C2 C1 C6 103.7(5) .
C10 C1 C7 117.4(5) .
C2 C1 C7 100.4(4) .
C6 C1 C7 102.2(4) .
N1 C2 C1 122.3(5) .
N1 C2 C3 129.7(5) .
C1 C2 C3 107.9(4) .
C2 C3 C4 100.1(4) .
C2 C3 P1 113.7(4) .
C4 C3 P1 120.6(4) .
C5 C4 C7 102.2(4) .
C5 C4 C3 105.9(4) .
C7 C4 C3 104.4(4) .
C4 C5 C6 102.4(4) .
C1 C6 C5 104.0(4) .
C8 C7 C9 107.9(5) .
C8 C7 C4 114.8(4) .
C9 C7 C4 114.2(4) .
C8 C7 C1 113.0(5) .
C9 C7 C1 113.1(4) .
C4 C7 C1 93.5(4) .
C2 N1 N2 110.8(4) .
C12 N2 N1 112.3(4) .
C20 C11 C12 116.3(5) .
C20 C11 C17 119.5(5) .
C12 C11 C17 100.6(4) .
C20 C11 C16 113.8(5) .
C12 C11 C16 103.4(4) .
C17 C11 C16 100.9(5) .
N2 C12 C13 130.8(5) .
N2 C12 C11 121.9(5) .
C13 C12 C11 107.3(5) .
C12 C13 C14 100.0(4) .
C12 C13 P2 114.9(3) .
C14 C13 P2 115.9(4) .
C15 C14 C17 102.3(5) .
C15 C14 C13 109.2(4) .
C17 C14 C13 101.6(5) .
C16 C15 C14 104.1(5) .
C15 C16 C11 103.7(5) .
C18 C17 C14 115.6(5) .
C18 C17 C19 108.1(5) .
C14 C17 C19 112.9(5) .
C18 C17 C11 111.9(5) .
C14 C17 C11 94.3(4) .
C19 C17 C11 113.7(5) .
Cl2 C1S Cl1 110.5(4) .
Cl2 C1S Cl3 111.1(4) .
Cl1 C1S Cl3 110.0(4) .
Cl5 C2S Cl4 111.2(4) .
Cl5 C2S Cl6 110.1(5) .
Cl4 C2S Cl6 110.0(4) .
Cl8S C3S Cl7S 114.4(8) .
Cl8S C3S Cl7S 107.2(7) 2_656
Cl7S C3S Cl7S 102.7(8) 2_656
Cl10 C4S Cl9S 114.4(8) .
Cl10 C4S Cl9S 109.7(8) 2
Cl9S C4S Cl9S 103.5(7) 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 C111 1.845(5) .
P1 C121 1.843(5) .
P1 C3 1.875(5) .
C111 C112 1.382(8) .
C111 C116 1.400(7) .
C112 C113 1.400(8) .
C113 C114 1.387(9) .
C114 C115 1.371(10) .
C115 C116 1.377(9) .
C121 C126 1.380(7) .
C121 C122 1.411(7) .
C122 C123 1.394(8) .
C123 C124 1.373(9) .
C124 C125 1.380(9) .
C125 C126 1.387(8) .
P2 C221 1.847(6) .
P2 C211 1.859(6) .
P2 C13 1.886(5) .
C211 C216 1.389(8) .
C211 C212 1.399(7) .
C212 C213 1.384(8) .
C213 C214 1.382(9) .
C214 C215 1.361(10) .
C215 C216 1.387(9) .
C221 C222 1.372(8) .
C221 C226 1.400(7) .
C222 C223 1.384(8) .
C223 C224 1.367(9) .
C224 C225 1.381(9) .
C225 C226 1.388(8) .
C1 C10 1.512(7) .
C1 C2 1.519(7) .
C1 C6 1.550(8) .
C1 C7 1.561(7) .
C2 N1 1.281(7) .
C2 C3 1.521(7) .
C3 C4 1.560(7) .
C4 C5 1.539(7) .
C4 C7 1.548(7) .
C5 C6 1.557(7) .
C7 C8 1.516(8) .
C7 C9 1.531(7) .
N1 N2 1.425(5) .
N2 C12 1.284(8) .
C11 C20 1.500(8) .
C11 C12 1.535(8) .
C11 C17 1.550(7) .
C11 C16 1.552(9) .
C12 C13 1.532(7) .
C13 C14 1.545(7) .
C14 C15 1.526(9) .
C14 C17 1.541(8) .
C15 C16 1.524(9) .
C17 C18 1.530(10) .
C17 C19 1.540(8) .
Cl1 C1S 1.756(9) .
Cl2 C1S 1.738(7) .
Cl3 C1S 1.762(8) .
Cl4 C2S 1.753(8) .
Cl5 C2S 1.748(8) .
Cl6 C2S 1.751(9) .
C3S Cl8S 1.693(15) .
C3S Cl7S 1.734(12) .
C3S Cl7S 1.88(2) 2_656
C4S Cl10 1.659(15) .
C4S Cl9S 1.728(13) .
C4S Cl9S 1.821(15) 2
