#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/04/4310469.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_4310469
loop_
_publ_author_name
'Neil Burford'
'Mark D'eon'
'Paul J. Ragogna'
'Robert McDonald'
'Michael J. Ferguson'
_publ_contact_author_address
;Department of Chemistry
Dalhousie University
Halifax, NS,
B3H 4K2, CANADA
;
_publ_contact_author_email       Neil.Burford@dal.ca
_publ_contact_author_fax         (902)494-1310
_publ_contact_author_name        'Neil Burford'
_publ_contact_author_phone       (902)494-1390
_publ_section_title
;
 Synthesis and Structures of Complexes Demonstrating the Coordinative
 Versatility of the 2,4-Diimino-3-phosphinopentene Anion
 (γ-Phosphino-β-diketiminate)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              734
_journal_page_last               738
_journal_paper_doi               10.1021/ic0351444
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C43.50 H56 Cl2 N2 P Sb'
_chemical_formula_sum            'C43.5 H56 Cl2 N2 P Sb'
_chemical_formula_weight         830.52
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.0247(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.699(3)
_cell_length_b                   11.3045(9)
_cell_length_c                   20.9953(15)
_cell_measurement_temperature    193(2)
_cell_volume                     8190.0(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0606
_diffrn_reflns_av_sigmaI/netI    0.0716
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            21380
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    0.875
_exptl_absorpt_correction_T_max  0.9099
_exptl_absorpt_correction_T_min  0.5484
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3448
_exptl_crystal_size_max          0.78
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.856
_refine_diff_density_min         -1.251
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         8350
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0553
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0811P)²+9.9552P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1386
_refine_ls_wR_factor_ref         0.1525
_reflns_number_gt                5914
_reflns_number_total             8350
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0351444si20031001_094118.cif
_cod_data_source_block           dal0343
_cod_original_formula_sum        'C43.50 H56 Cl2 N2 P Sb'
_cod_database_code               4310469
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb 0.057571(10) 0.04046(3) 0.032559(15) 0.02985(12) Uani 1 1 d . . .
Cl1 Cl 0.01367(4) -0.15541(14) 0.03320(6) 0.0405(3) Uani 1 1 d . . .
Cl2 Cl 0.10520(5) 0.20572(13) 0.02144(7) 0.0474(4) Uani 1 1 d . . .
P P 0.11801(3) -0.09692(12) 0.04577(5) 0.0224(3) Uani 1 1 d . . .
N1 N 0.11423(12) -0.0183(4) -0.13826(17) 0.0265(9) Uani 1 1 d . . .
H1N H 0.1385 -0.0286 -0.1455 0.032 Uiso 1 1 calc R . .
N2 N 0.18237(11) -0.1047(4) -0.10274(17) 0.0260(9) Uani 1 1 d . . .
C1 C 0.06491(14) -0.0087(5) -0.0655(2) 0.0300(12) Uani 1 1 d . . .
H1A H 0.0488 -0.0794 -0.0770 0.036 Uiso 1 1 calc R . .
H1B H 0.0549 0.0564 -0.0942 0.036 Uiso 1 1 calc R . .
C2 C 0.10568(13) -0.0350(4) -0.0782(2) 0.0232(10) Uani 1 1 d . . .
C3 C 0.13406(13) -0.0818(4) -0.0317(2) 0.0225(10) Uani 1 1 d . . .
C4 C 0.17197(14) -0.1206(4) -0.0458(2) 0.0242(10) Uani 1 1 d . . .
C5 C 0.19950(15) -0.1778(5) 0.0056(2) 0.0362(13) Uani 1 1 d . . .
H5A H 0.2139 -0.2410 -0.0133 0.043 Uiso 1 1 calc R . .
H5B H 0.1848 -0.2112 0.0387 0.043 Uiso 1 1 calc R . .
H5C H 0.2177 -0.1183 0.0249 0.043 Uiso 1 1 calc R . .
C11 C 0.11079(14) -0.2530(4) 0.0615(2) 0.0263(11) Uani 1 1 d . . .
C12 C 0.0969(2) -0.2910(6) 0.1167(3) 0.060(2) Uani 1 1 d . . .
H12 H 0.0911 -0.2347 0.1479 0.072 Uiso 1 1 calc R . .
C13 C 0.0912(3) -0.4098(7) 0.1277(3) 0.077(3) Uani 1 1 d . . .
H13 H 0.0816 -0.4350 0.1663 0.093 Uiso 1 1 calc R . .
C14 C 0.0995(2) -0.4925(6) 0.0819(3) 0.0561(18) Uani 1 1 d . . .
H14 H 0.0970 -0.5748 0.0896 0.067 Uiso 1 1 calc R . .
C15 C 0.1110(2) -0.4539(6) 0.0273(3) 0.064(2) Uani 1 1 d . . .
H15 H 0.1150 -0.5097 -0.0052 0.077 Uiso 1 1 calc R . .
C16 C 0.11739(19) -0.3355(6) 0.0161(3) 0.0480(16) Uani 1 1 d . . .
H16 H 0.1264 -0.3113 -0.0231 0.058 Uiso 1 1 calc R . .
C21 C 0.15197(14) -0.0322(4) 0.1081(2) 0.0250(10) Uani 1 1 d . . .
C22 C 0.18016(17) 0.0455(5) 0.0928(3) 0.0396(13) Uani 1 1 d . . .
H22 H 0.1827 0.0625 0.0491 0.048 Uiso 1 1 calc R . .
C23 C 0.20471(19) 0.0988(6) 0.1402(3) 0.0478(16) Uani 1 1 d . . .
H23 H 0.2240 0.1521 0.1288 0.057 Uiso 1 1 calc R . .
C24 C 0.20164(17) 0.0761(6) 0.2026(3) 0.0465(16) Uani 1 1 d . . .
H24 H 0.2196 0.1102 0.2347 0.056 Uiso 1 1 calc R . .
C25 C 0.17266(18) 0.0041(7) 0.2196(3) 0.0504(17) Uani 1 1 d . . .
H25 H 0.1694 -0.0083 0.2635 0.061 Uiso 1 1 calc R . .
C26 C 0.14804(16) -0.0505(6) 0.1721(2) 0.0406(14) Uani 1 1 d . . .
H26 H 0.1282 -0.1014 0.1838 0.049 Uiso 1 1 calc R . .
C31 C 0.08735(14) 0.0150(5) -0.1917(2) 0.0274(11) Uani 1 1 d . . .
C32 C 0.07760(15) 0.1342(5) -0.2015(2) 0.0344(13) Uani 1 1 d . . .
C33 C 0.05141(17) 0.1610(6) -0.2547(3) 0.0462(16) Uani 1 1 d . . .
H33 H 0.0439 0.2410 -0.2625 0.055 Uiso 1 1 calc R . .
C34 C 0.03623(17) 0.0745(7) -0.2962(3) 0.0471(17) Uani 1 1 d . . .
H34 H 0.0184 0.0952 -0.3320 0.057 Uiso 1 1 calc R . .
C35 C 0.04665(16) -0.0403(7) -0.2863(2) 0.0456(16) Uani 1 1 d . . .
H35 H 0.0360 -0.0988 -0.3155 0.055 Uiso 1 1 calc R . .
C36 C 0.07268(16) -0.0746(6) -0.2342(2) 0.0387(14) Uani 1 1 d . . .
C37 C 0.09502(19) 0.2324(5) -0.1587(3) 0.0472(15) Uani 1 1 d . . .
H37 H 0.1074 0.1952 -0.1185 0.057 Uiso 1 1 calc R . .
C38 C 0.0643(3) 0.3195(7) -0.1401(4) 0.078(2) Uani 1 1 d . . .
H38A H 0.0767 0.3808 -0.1121 0.094 Uiso 1 1 calc R . .
H38B H 0.0452 0.2770 -0.1175 0.094 Uiso 1 1 calc R . .
H38C H 0.0512 0.3562 -0.1788 0.094 Uiso 1 1 calc R . .
C39 C 0.1268(2) 0.2954(7) -0.1910(4) 0.074(2) Uani 1 1 d . . .
H39A H 0.1381 0.3583 -0.1629 0.089 Uiso 1 1 calc R . .
H39B H 0.1156 0.3298 -0.2317 0.089 Uiso 1 1 calc R . .
H39C H 0.1470 0.2384 -0.1992 0.089 Uiso 1 1 calc R . .
C40 C 0.0853(2) -0.2020(6) -0.2251(3) 0.0605(19) Uani 1 1 d . . .
H40 H 0.1117 -0.2008 -0.2007 0.073 Uiso 1 1 calc R . .
C41 C 0.0597(4) -0.2693(8) -0.1855(5) 0.121(4) Uani 1 1 d . . .
H41A H 0.0691 -0.3509 -0.1804 0.145 Uiso 1 1 calc R . .
H41B H 0.0332 -0.2693 -0.2068 0.145 Uiso 1 1 calc R . .
H41C H 0.0601 -0.2320 -0.1433 0.145 Uiso 1 1 calc R . .
C42 C 0.0893(3) -0.2660(8) -0.2875(4) 0.088(3) Uani 1 1 d . . .
H42A H 0.0976 -0.3477 -0.2785 0.106 Uiso 1 1 calc R . .
H42B H 0.1086 -0.2256 -0.3106 0.106 Uiso 1 1 calc R . .
H42C H 0.0642 -0.2662 -0.3139 0.106 Uiso 1 1 calc R . .
C51 C 0.21966(14) -0.1377(5) -0.1202(2) 0.0279(11) Uani 1 1 d . . .
C52 C 0.24997(15) -0.0542(5) -0.1112(2) 0.0353(13) Uani 1 1 d . . .
C53 C 0.28501(16) -0.0828(6) -0.1347(3) 0.0423(15) Uani 1 1 d . . .
H53 H 0.3060 -0.0286 -0.1289 0.051 Uiso 1 1 calc R . .
C54 C 0.28961(17) -0.1867(6) -0.1656(3) 0.0480(17) Uani 1 1 d . . .
H54 H 0.3135 -0.2035 -0.1821 0.058 Uiso 1 1 calc R . .
C55 C 0.26005(18) -0.2671(6) -0.1732(3) 0.0443(15) Uani 1 1 d . . .
H55 H 0.2641 -0.3401 -0.1940 0.053 Uiso 1 1 calc R . .
C56 C 0.22420(15) -0.2452(5) -0.1515(2) 0.0341(13) Uani 1 1 d . . .
C57 C 0.24473(17) 0.0628(6) -0.0778(3) 0.0427(14) Uani 1 1 d . . .
H57 H 0.2286 0.0470 -0.0420 0.051 Uiso 1 1 calc R . .
C58 C 0.2822(2) 0.1204(7) -0.0486(3) 0.0599(19) Uani 1 1 d . . .
H58A H 0.2964 0.0649 -0.0189 0.072 Uiso 1 1 calc R . .
H58B H 0.2760 0.1920 -0.0254 0.072 Uiso 1 1 calc R . .
H58C H 0.2982 0.1413 -0.0827 0.072 Uiso 1 1 calc R . .
C59 C 0.22268(19) 0.1489(6) -0.1224(4) 0.0584(18) Uani 1 1 d . . .
H59A H 0.2194 0.2235 -0.0999 0.070 Uiso 1 1 calc R . .
H59B H 0.1972 0.1158 -0.1371 0.070 Uiso 1 1 calc R . .
H59C H 0.2371 0.1634 -0.1594 0.070 Uiso 1 1 calc R . .
C60 C 0.19187(18) -0.3353(5) -0.1598(3) 0.0459(15) Uani 1 1 d . . .
H60 H 0.1672 -0.2932 -0.1534 0.055 Uiso 1 1 calc R . .
C61 C 0.1972(3) -0.4329(7) -0.1103(4) 0.076(2) Uani 1 1 d . . .
H61A H 0.1757 -0.4892 -0.1174 0.091 Uiso 1 1 calc R . .
H61B H 0.1976 -0.3988 -0.0674 0.091 Uiso 1 1 calc R . .
H61C H 0.2217 -0.4740 -0.1142 0.091 Uiso 1 1 calc R . .
C62 C 0.1868(3) -0.3891(7) -0.2273(3) 0.077(2) Uani 1 1 d . . .
H62A H 0.1656 -0.4467 -0.2303 0.093 Uiso 1 1 calc R . .
H62B H 0.2109 -0.4289 -0.2359 0.093 Uiso 1 1 calc R . .
H62C H 0.1808 -0.3263 -0.2590 0.093 Uiso 1 1 calc R . .
C1S C 0.0036(4) 0.5650(2) -0.0087(2) 0.142(3) Uiso 1 1 d D . .
H1SA H -0.0176 0.6151 0.0043 0.170 Uiso 1 1 calc R . .
H1SB H 0.0283 0.5926 0.0145 0.170 Uiso 1 1 calc R . .
C2S C 0.0055(4) 0.5762(9) -0.0814(3) 0.142(3) Uiso 1 1 d D . .
H2SA H -0.0038 0.5021 -0.1029 0.170 Uiso 0.50 1 calc PR A 1
H2SB H 0.0326 0.5893 -0.0901 0.170 Uiso 0.50 1 calc PR A 1
H2SC H 0.0097 0.6592 -0.0922 0.170 Uiso 0.50 1 calc PR A 2
H2SD H -0.0190 0.5488 -0.1042 0.170 Uiso 0.50 1 calc PR A 2
H2SE H 0.0269 0.5279 -0.0939 0.170 Uiso 0.50 1 calc PR A 2
C3S C -0.0199(6) 0.6805(17) -0.1079(7) 0.142(3) Uiso 0.50 1 d PD B 1
H3SA H -0.0186 0.6870 -0.1542 0.170 Uiso 0.50 1 calc PR B 1
H3SB H -0.0104 0.7539 -0.0870 0.170 Uiso 0.50 1 calc PR B 1
H3SC H -0.0468 0.6669 -0.0995 0.170 Uiso 0.50 1 calc PR B 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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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'
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
_geom_angle_publ_flag
C1 Sb Cl2 87.64(15) . . ?
C1 Sb P 77.00(13) . . ?
Cl2 Sb P 85.60(5) . . ?
C1 Sb Cl1 85.23(15) . . ?
Cl2 Sb Cl1 171.11(5) . . ?
P Sb Cl1 87.63(4) . . ?
C3 P C11 108.7(2) . . ?
C3 P C21 112.2(2) . . ?
C11 P C21 110.5(2) . . ?
C3 P Sb 99.85(16) . . ?
C11 P Sb 118.30(16) . . ?
C21 P Sb 106.89(16) . . ?
C2 N1 C31 125.8(4) . . ?
C4 N2 C51 123.1(4) . . ?
C2 C1 Sb 115.2(3) . . ?
N1 C2 C3 119.7(4) . . ?
N1 C2 C1 116.5(4) . . ?
C3 C2 C1 123.7(4) . . ?
C2 C3 C4 123.8(4) . . ?
C2 C3 P 113.8(3) . . ?
C4 C3 P 122.3(3) . . ?
N2 C4 C3 119.5(4) . . ?
N2 C4 C5 120.2(4) . . ?
C3 C4 C5 120.3(4) . . ?
C16 C11 C12 118.3(5) . . ?
C16 C11 P 119.9(4) . . ?
C12 C11 P 121.7(4) . . ?
C11 C12 C13 121.1(6) . . ?
C12 C13 C14 119.5(6) . . ?
C15 C14 C13 118.6(6) . . ?
C14 C15 C16 122.3(6) . . ?
C11 C16 C15 119.9(6) . . ?
C22 C21 C26 118.0(5) . . ?
C22 C21 P 120.6(4) . . ?
C26 C21 P 121.1(4) . . ?
C21 C22 C23 120.6(5) . . ?
C24 C23 C22 120.8(6) . . ?
C23 C24 C25 120.1(5) . . ?
C24 C25 C26 119.3(5) . . ?
C21 C26 C25 121.1(5) . . ?
C32 C31 C36 122.2(5) . . ?
C32 C31 N1 119.7(5) . . ?
C36 C31 N1 118.1(5) . . ?
C33 C32 C31 117.0(5) . . ?
C33 C32 C37 120.1(6) . . ?
C31 C32 C37 122.9(5) . . ?
C34 C33 C32 121.7(6) . . ?
C35 C34 C33 120.2(5) . . ?
C34 C35 C36 121.7(6) . . ?
C35 C36 C31 117.2(6) . . ?
C35 C36 C40 121.2(6) . . ?
C31 C36 C40 121.6(5) . . ?
C32 C37 C39 109.9(5) . . ?
C32 C37 C38 112.2(6) . . ?
C39 C37 C38 111.6(6) . . ?
C41 C40 C36 112.1(7) . . ?
C41 C40 C42 110.7(7) . . ?
C36 C40 C42 113.3(6) . . ?
C56 C51 C52 121.7(5) . . ?
C56 C51 N2 119.8(5) . . ?
C52 C51 N2 118.2(5) . . ?
C53 C52 C51 117.5(5) . . ?
C53 C52 C57 121.0(5) . . ?
C51 C52 C57 121.4(5) . . ?
C54 C53 C52 121.2(6) . . ?
C53 C54 C55 120.4(5) . . ?
C54 C55 C56 122.0(6) . . ?
C55 C56 C51 117.2(5) . . ?
C55 C56 C60 121.4(5) . . ?
C51 C56 C60 121.4(4) . . ?
C59 C57 C52 110.8(5) . . ?
C59 C57 C58 109.3(5) . . ?
C52 C57 C58 114.8(5) . . ?
C56 C60 C61 112.1(6) . . ?
C56 C60 C62 112.6(5) . . ?
C61 C60 C62 109.8(6) . . ?
C2S C1S C1S 109.82(9) . 5_565 ?
C1S C2S C3S 109.88(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sb C1 2.174(5) . ?
Sb Cl2 2.5212(16) . ?
Sb P 2.6011(13) . ?
Sb Cl1 2.6885(16) . ?
P C3 1.783(4) . ?
P C11 1.817(5) . ?
P C21 1.821(5) . ?
N1 C2 1.339(5) . ?
N1 C31 1.432(6) . ?
N2 C4 1.297(6) . ?
N2 C51 1.431(6) . ?
C1 C2 1.496(6) . ?
C2 C3 1.414(6) . ?
C3 C4 1.446(6) . ?
C4 C5 1.510(7) . ?
C11 C16 1.370(7) . ?
C11 C12 1.372(7) . ?
C12 C13 1.380(9) . ?
C13 C14 1.394(10) . ?
C14 C15 1.325(9) . ?
C15 C16 1.382(9) . ?
C21 C22 1.378(7) . ?
C21 C26 1.379(7) . ?
C22 C23 1.379(8) . ?
C23 C24 1.350(8) . ?
C24 C25 1.370(9) . ?
C25 C26 1.389(8) . ?
C31 C32 1.400(8) . ?
C31 C36 1.409(8) . ?
C32 C33 1.398(8) . ?
C32 C37 1.513(8) . ?
C33 C34 1.378(9) . ?
C34 C35 1.357(9) . ?
C35 C36 1.398(8) . ?
C36 C40 1.512(9) . ?
C37 C39 1.530(9) . ?
C37 C38 1.533(9) . ?
C40 C41 1.487(12) . ?
C40 C42 1.517(9) . ?
C51 C56 1.399(7) . ?
C51 C52 1.411(8) . ?
C52 C53 1.397(7) . ?
C52 C57 1.516(8) . ?
C53 C54 1.360(9) . ?
C54 C55 1.367(9) . ?
C55 C56 1.391(7) . ?
C56 C60 1.512(8) . ?
C57 C59 1.503(9) . ?
C57 C58 1.523(8) . ?
C60 C61 1.514(10) . ?
C60 C62 1.536(9) . ?
C1S C2S 1.5389(10) . ?
C1S C1S 1.5401(10) 5_565 ?
C2S C3S 1.5397(10) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Sb P C3 23.4(2) . . . . ?
Cl2 Sb P C3 -65.15(17) . . . . ?
Cl1 Sb P C3 109.09(17) . . . . ?
C1 Sb P C11 -94.2(2) . . . . ?
Cl2 Sb P C11 177.25(18) . . . . ?
Cl1 Sb P C11 -8.51(18) . . . . ?
C1 Sb P C21 140.4(2) . . . . ?
Cl2 Sb P C21 51.80(16) . . . . ?
Cl1 Sb P C21 -133.96(16) . . . . ?
Cl2 Sb C1 C2 57.0(4) . . . . ?
P Sb C1 C2 -29.1(4) . . . . ?
Cl1 Sb C1 C2 -117.7(4) . . . . ?
C31 N1 C2 C3 172.2(5) . . . . ?
C31 N1 C2 C1 -4.2(7) . . . . ?
Sb C1 C2 N1 -153.7(4) . . . . ?
Sb C1 C2 C3 30.1(6) . . . . ?
N1 C2 C3 C4 -3.9(7) . . . . ?
C1 C2 C3 C4 172.2(5) . . . . ?
N1 C2 C3 P 179.4(4) . . . . ?
C1 C2 C3 P -4.5(6) . . . . ?
C11 P C3 C2 107.4(4) . . . . ?
C21 P C3 C2 -130.0(4) . . . . ?
Sb P C3 C2 -17.1(4) . . . . ?
C11 P C3 C4 -69.3(5) . . . . ?
C21 P C3 C4 53.3(5) . . . . ?
Sb P C3 C4 166.2(4) . . . . ?
C51 N2 C4 C3 178.4(5) . . . . ?
C51 N2 C4 C5 -0.8(8) . . . . ?
C2 C3 C4 N2 5.3(8) . . . . ?
P C3 C4 N2 -178.4(4) . . . . ?
C2 C3 C4 C5 -175.5(5) . . . . ?
P C3 C4 C5 0.8(7) . . . . ?
C3 P C11 C16 -0.6(5) . . . . ?
C21 P C11 C16 -124.2(5) . . . . ?
Sb P C11 C16 112.2(4) . . . . ?
C3 P C11 C12 -177.2(5) . . . . ?
C21 P C11 C12 59.2(6) . . . . ?
Sb P C11 C12 -64.4(6) . . . . ?
C16 C11 C12 C13 2.7(11) . . . . ?
P C11 C12 C13 179.4(7) . . . . ?
C11 C12 C13 C14 -0.3(13) . . . . ?
C12 C13 C14 C15 -3.2(13) . . . . ?
C13 C14 C15 C16 4.3(13) . . . . ?
C12 C11 C16 C15 -1.7(10) . . . . ?
P C11 C16 C15 -178.4(6) . . . . ?
C14 C15 C16 C11 -1.9(12) . . . . ?
C3 P C21 C22 16.3(5) . . . . ?
C11 P C21 C22 137.8(4) . . . . ?
Sb P C21 C22 -92.1(4) . . . . ?
C3 P C21 C26 -169.8(4) . . . . ?
C11 P C21 C26 -48.3(5) . . . . ?
Sb P C21 C26 81.7(5) . . . . ?
C26 C21 C22 C23 2.9(9) . . . . ?
P C21 C22 C23 176.9(5) . . . . ?
C21 C22 C23 C24 -0.1(10) . . . . ?
C22 C23 C24 C25 -3.3(10) . . . . ?
C23 C24 C25 C26 3.8(10) . . . . ?
C22 C21 C26 C25 -2.4(9) . . . . ?
P C21 C26 C25 -176.4(5) . . . . ?
C24 C25 C26 C21 -0.9(10) . . . . ?
C2 N1 C31 C32 82.8(6) . . . . ?
C2 N1 C31 C36 -99.6(6) . . . . ?
C36 C31 C32 C33 2.0(7) . . . . ?
N1 C31 C32 C33 179.5(4) . . . . ?
C36 C31 C32 C37 -176.0(5) . . . . ?
N1 C31 C32 C37 1.5(7) . . . . ?
C31 C32 C33 C34 -0.8(8) . . . . ?
C37 C32 C33 C34 177.3(5) . . . . ?
C32 C33 C34 C35 -0.3(8) . . . . ?
C33 C34 C35 C36 0.3(8) . . . . ?
C34 C35 C36 C31 0.9(8) . . . . ?
C34 C35 C36 C40 -177.5(6) . . . . ?
C32 C31 C36 C35 -2.0(7) . . . . ?
N1 C31 C36 C35 -179.6(4) . . . . ?
C32 C31 C36 C40 176.3(5) . . . . ?
N1 C31 C36 C40 -1.2(7) . . . . ?
C33 C32 C37 C39 -76.7(7) . . . . ?
C31 C32 C37 C39 101.3(6) . . . . ?
C33 C32 C37 C38 48.0(7) . . . . ?
C31 C32 C37 C38 -134.0(6) . . . . ?
C35 C36 C40 C41 -90.7(8) . . . . ?
C31 C36 C40 C41 91.0(8) . . . . ?
C35 C36 C40 C42 35.4(9) . . . . ?
C31 C36 C40 C42 -142.9(6) . . . . ?
C4 N2 C51 C56 97.7(6) . . . . ?
C4 N2 C51 C52 -88.9(6) . . . . ?
C56 C51 C52 C53 0.0(7) . . . . ?
N2 C51 C52 C53 -173.3(4) . . . . ?
C56 C51 C52 C57 179.4(5) . . . . ?
N2 C51 C52 C57 6.1(7) . . . . ?
C51 C52 C53 C54 0.6(8) . . . . ?
C57 C52 C53 C54 -178.8(5) . . . . ?
C52 C53 C54 C55 -1.4(9) . . . . ?
C53 C54 C55 C56 1.7(9) . . . . ?
C54 C55 C56 C51 -1.1(8) . . . . ?
C54 C55 C56 C60 -179.6(5) . . . . ?
C52 C51 C56 C55 0.3(7) . . . . ?
N2 C51 C56 C55 173.5(4) . . . . ?
C52 C51 C56 C60 178.8(5) . . . . ?
N2 C51 C56 C60 -8.1(7) . . . . ?
C53 C52 C57 C59 100.9(6) . . . . ?
C51 C52 C57 C59 -78.5(6) . . . . ?
C53 C52 C57 C58 -23.5(8) . . . . ?
C51 C52 C57 C58 157.1(5) . . . . ?
C55 C56 C60 C61 79.2(7) . . . . ?
C51 C56 C60 C61 -99.2(6) . . . . ?
C55 C56 C60 C62 -45.3(8) . . . . ?
C51 C56 C60 C62 136.3(6) . . . . ?
C1S C1S C2S C3S 132.7(16) 5_565 . . . ?
