#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:38:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179800 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/96/7009619.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_7009619
loop_
_publ_author_name
'Barucki, Hubert'
'Coles, Simon J.'
'Costello, James F.'
'Gelbrich, Thomas'
'Hursthouse, Michael B.'
_publ_section_title
;
 Characterising secondary bonding interactions within triaryl
 organoantimony(V) and organobismuth(V) complexes
;
_journal_issue                   14
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2319
_journal_paper_doi               10.1039/b002337j
_journal_year                    2000
_chemical_formula_sum            'C33 H26 Cl3 O6 Sb'
_chemical_formula_weight         746.64
_chemical_name_systematic
; 
 ? 
;
_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                113.4792(7)
_cell_angle_beta                 104.5722(8)
_cell_angle_gamma                93.1164(8)
_cell_formula_units_Z            4
_cell_length_a                   10.7855(1)
_cell_length_b                   17.7361(2)
_cell_length_c                   18.7408(2)
_cell_measurement_reflns_used    39328
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.24
_cell_volume                     3133.75(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0374
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            39328
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    1.180
_exptl_absorpt_correction_T_max  0.680
_exptl_absorpt_correction_T_min  0.618
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.762
_refine_diff_density_min         -1.441
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       0.0004(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     849
_refine_ls_number_reflns         12197
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0466
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0737P)²+6.8354P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1281
_refine_ls_wR_factor_ref         0.1335
_reflns_number_gt                10310
_reflns_number_total             12197
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b002337j.txt
_cod_data_source_block           s92-2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'multi-scans' was replaced
with 'multi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0737P)^2^+6.8354P] 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^)+(0.0737P)^2^+6.8354P] 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        3133.74(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7009619
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.17804(2) 0.220370(15) 0.369117(14) 0.01757(10) Uani 1 d . . .
O11 O 0.3585(3) 0.23407(19) 0.34819(17) 0.0258(6) Uani 1 d . . .
O12 O 0.3475(3) 0.09903(18) 0.27220(17) 0.0288(6) Uani 1 d . . .
O13 O 0.5290(3) 0.05217(19) 0.20144(19) 0.0365(7) Uani 1 d . . .
H13 H 0.4635 0.0453 0.2162 0.063(19) Uiso 1 calc R . .
O21 O 0.0036(3) 0.23411(17) 0.40283(17) 0.0228(6) Uani 1 d . . .
O22 O -0.0609(3) 0.09637(18) 0.34302(18) 0.0283(6) Uani 1 d . . .
O23 O -0.2717(4) 0.0353(3) 0.3581(3) 0.0388(14) Uani 0.751(9) d PD A 1
H23 H -0.2078 0.0353 0.3401 0.05(2) Uiso 0.751(9) calc PR A 1
O23' O -0.1154(11) 0.3230(6) 0.4982(9) 0.038(4) Uani 0.249(9) d PD A 2
H23' H -0.0587 0.3110 0.4738 0.08(9) Uiso 0.249(9) calc PR A 2
C11 C 0.4001(4) 0.1724(3) 0.2994(2) 0.0236(8) Uani 1 d . . .
C12 C 0.5746(4) 0.1344(3) 0.2314(2) 0.0275(9) Uani 1 d . . .
C13 C 0.5146(4) 0.1965(3) 0.2783(2) 0.0238(9) Uani 1 d . . .
C14 C 0.5656(4) 0.2797(3) 0.3044(3) 0.0326(10) Uani 1 d . . .
H14 H 0.5261 0.3218 0.3362 0.030(12) Uiso 1 calc R . .
C15 C 0.6721(5) 0.3027(3) 0.2852(3) 0.0426(12) Uani 1 d . . .
H15 H 0.7053 0.3600 0.3030 0.043(14) Uiso 1 calc R . .
C16 C 0.7302(5) 0.2413(4) 0.2395(3) 0.0436(13) Uani 1 d . . .
H16 H 0.8037 0.2571 0.2260 0.044(14) Uiso 1 calc R . .
C17 C 0.6847(4) 0.1585(3) 0.2132(3) 0.0365(11) Uani 1 d . . .
H17 H 0.7272 0.1174 0.1827 0.039(14) Uiso 1 calc R . .
C21 C -0.0774(4) 0.1669(3) 0.3849(2) 0.0222(8) Uani 1 d . . .
C22 C -0.2790(4) 0.1105(3) 0.4027(3) 0.0299(10) Uani 1 d D . .
H22 H -0.2715 0.0560 0.3676 0.036 Uiso 0.249(9) calc PR A 2
C23 C -0.1872(4) 0.1803(3) 0.4196(2) 0.0222(8) Uani 1 d . . .
C24 C -0.2018(4) 0.2593(3) 0.4716(3) 0.0308(10) Uani 1 d D . .
H22 H -0.1416 0.3068 0.4833 0.037 Uiso 0.751(9) calc PR A 1
C25 C -0.3015(5) 0.2695(4) 0.5061(3) 0.0425(12) Uani 1 d . . .
H25 H -0.3095 0.3238 0.5414 0.064(19) Uiso 1 calc R . .
C26 C -0.3903(5) 0.2011(4) 0.4898(3) 0.0434(13) Uani 1 d . . .
H26 H -0.4585 0.2083 0.5143 0.034(13) Uiso 1 calc R . .
C27 C -0.3794(4) 0.1218(4) 0.4373(3) 0.0424(13) Uani 1 d . . .
H27 H -0.4416 0.0750 0.4251 0.048(15) Uiso 1 calc R . .
C101 C 0.2396(4) 0.1602(2) 0.4448(2) 0.0205(8) Uani 1 d . . .
C102 C 0.2352(5) 0.2016(3) 0.5243(3) 0.0363(11) Uani 1 d . . .
H102 H 0.2046 0.2533 0.5413 0.049(16) Uiso 1 calc R . .
C103 C 0.2763(5) 0.1665(4) 0.5789(3) 0.0462(13) Uani 1 d . . .
H103 H 0.2730 0.1940 0.6333 0.066(18) Uiso 1 calc R . .
C104 C 0.3216(4) 0.0919(3) 0.5543(3) 0.0367(11) Uani 1 d . . .
H104 H 0.3511 0.0687 0.5920 0.035(13) Uiso 1 calc R . .
C105 C 0.3243(4) 0.0512(3) 0.4757(3) 0.0339(10) Uani 1 d . . .
H105 H 0.3542 -0.0007 0.4589 0.038(13) Uiso 1 calc R . .
C106 C 0.2837(4) 0.0851(3) 0.4203(3) 0.0276(9) Uani 1 d . . .
H106 H 0.2863 0.0568 0.3658 0.037(13) Uiso 1 calc R . .
C201 C 0.0785(4) 0.1686(3) 0.2442(2) 0.0204(8) Uani 1 d . . .
C202 C 0.0552(4) 0.2228(3) 0.2076(3) 0.0277(9) Uani 1 d . . .
H202 H 0.0843 0.2812 0.2383 0.026(11) Uiso 1 calc R . .
C203 C -0.0116(5) 0.1897(3) 0.1249(3) 0.0352(11) Uani 1 d . . .
H203 H -0.0307 0.2259 0.0990 0.051(16) Uiso 1 calc R . .
C204 C -0.0506(4) 0.1039(3) 0.0798(3) 0.0312(10) Uani 1 d . . .
H204 H -0.0959 0.0818 0.0233 0.024(11) Uiso 1 calc R . .
C205 C -0.0240(4) 0.0508(3) 0.1166(3) 0.0276(9) Uani 1 d . . .
H205 H -0.0494 -0.0078 0.0853 0.021(11) Uiso 1 calc R . .
C206 C 0.0402(4) 0.0828(3) 0.1997(2) 0.0233(8) Uani 1 d . . .
H206 H 0.0575 0.0465 0.2256 0.020(11) Uiso 1 calc R . .
C301 C 0.2151(4) 0.3513(2) 0.4304(2) 0.0239(8) Uani 1 d . . .
C302 C 0.1164(4) 0.3964(3) 0.4202(3) 0.0279(9) Uani 1 d . . .
H302 H 0.0315 0.3682 0.3856 0.044(15) Uiso 1 calc R . .
C303 C 0.1421(5) 0.4827(3) 0.4606(3) 0.0389(11) Uani 1 d . . .
H303 H 0.0755 0.5139 0.4523 0.049(15) Uiso 1 calc R . .
C304 C 0.2640(5) 0.5233(3) 0.5128(3) 0.0435(13) Uani 1 d . . .
H304 H 0.2810 0.5825 0.5411 0.044(14) Uiso 1 calc R . .
C305 C 0.3619(5) 0.4781(3) 0.5240(3) 0.0432(12) Uani 1 d . . .
H305 H 0.4456 0.5065 0.5606 0.052(16) Uiso 1 calc R . .
C306 C 0.3392(4) 0.3922(3) 0.4826(3) 0.0320(10) Uani 1 d . . .
H306 H 0.4070 0.3615 0.4896 0.053(17) Uiso 1 calc R . .
Sb2 Sb 0.18309(2) 0.234919(15) -0.123398(15) 0.01856(10) Uani 1 d . . .
O31 O 0.3578(3) 0.22083(18) -0.15444(18) 0.0249(6) Uani 1 d . . .
O32 O 0.3554(3) 0.32071(19) -0.1987(2) 0.0360(7) Uani 1 d . . .
O33 O 0.5441(4) 0.3472(2) -0.2542(2) 0.0468(9) Uani 1 d . . .
H33 H 0.4833 0.3596 -0.2334 0.14(4) Uiso 1 calc R . .
O41 O 0.0136(3) 0.25085(17) -0.08692(18) 0.0241(6) Uani 1 d . . .
O42 O -0.0597(3) 0.11384(18) -0.14762(17) 0.0260(6) Uani 1 d . . .
O43 O -0.2594(3) 0.05578(19) -0.11840(19) 0.0328(7) Uani 1 d . . .
H43 H -0.2002 0.0534 -0.1406 0.039(15) Uiso 1 calc R . .
C31 C 0.4005(4) 0.2600(3) -0.1915(2) 0.0252(9) Uani 1 d . . .
C32 C 0.5725(4) 0.2724(3) -0.2559(3) 0.0335(10) Uani 1 d . . .
C33 C 0.5053(4) 0.2268(3) -0.2268(2) 0.0267(9) Uani 1 d . . .
C34 C 0.5366(4) 0.1495(3) -0.2330(3) 0.0307(10) Uani 1 d . . .
H34 H 0.4915 0.1183 -0.2133 0.025(11) Uiso 1 calc R . .
C35 C 0.6314(5) 0.1183(3) -0.2671(3) 0.0382(11) Uani 1 d . . .
H35 H 0.6506 0.0650 -0.2724 0.056(17) Uiso 1 calc R . .
C36 C 0.6996(5) 0.1650(4) -0.2939(3) 0.0427(13) Uani 1 d . . .
H36 H 0.7669 0.1438 -0.3163 0.044(14) Uiso 1 calc R . .
C37 C 0.6715(5) 0.2412(4) -0.2886(3) 0.0425(12) Uani 1 d . . .
H37 H 0.7192 0.2725 -0.3070 0.041(14) Uiso 1 calc R . .
C41 C -0.0693(4) 0.1854(2) -0.1033(2) 0.0209(8) Uani 1 d . . .
C42 C -0.2615(4) 0.1363(3) -0.0719(3) 0.0272(9) Uani 1 d . . .
C43 C -0.1732(4) 0.2022(3) -0.0637(2) 0.0225(8) Uani 1 d . . .
C44 C -0.1829(5) 0.2837(3) -0.0136(3) 0.0333(10) Uani 1 d . . .
H44 H -0.1235 0.3291 -0.0072 0.024(11) Uiso 1 calc R . .
C45 C -0.2755(5) 0.2997(3) 0.0264(3) 0.0456(13) Uani 1 d . . .
H46 H -0.2809 0.3555 0.0596 0.069(19) Uiso 1 calc R . .
C46 C -0.3617(5) 0.2326(4) 0.0175(3) 0.0458(13) Uani 1 d . . .
H46 H -0.4263 0.2428 0.0450 0.049(15) Uiso 1 calc R . .
C47 C -0.3538(4) 0.1522(3) -0.0304(3) 0.0384(11) Uani 1 d . . .
H47 H -0.4121 0.1071 -0.0353 0.034(13) Uiso 1 calc R . .
C401 C 0.0801(4) 0.1853(3) -0.2477(2) 0.0233(8) Uani 1 d . . .
C402 C 0.0584(4) 0.1003(3) -0.2939(3) 0.0277(9) Uani 1 d . . .
H402 H 0.0862 0.0642 -0.2691 0.034(13) Uiso 1 calc R . .
C403 C -0.0048(5) 0.0678(3) -0.3772(3) 0.0362(11) Uani 1 d . . .
H403 H -0.0192 0.0093 -0.4095 0.035(13) Uiso 1 calc R . .
C404 C -0.0466(5) 0.1197(3) -0.4130(3) 0.0379(11) Uani 1 d . . .
H404 H -0.0898 0.0971 -0.4698 0.045(15) Uiso 1 calc R . .
C405 C -0.0255(5) 0.2050(4) -0.3661(3) 0.0414(12) Uani 1 d . . .
H405 H -0.0551 0.2408 -0.3908 0.044(14) Uiso 1 calc R . .
C406 C 0.0389(4) 0.2388(3) -0.2827(3) 0.0326(10) Uani 1 d . . .
H406 H 0.0542 0.2974 -0.2505 0.017(10) Uiso 1 calc R . .
C501 C 0.2349(4) 0.3644(2) -0.0539(2) 0.0248(9) Uani 1 d . . .
C502 C 0.3607(5) 0.3983(3) -0.0031(3) 0.0334(10) Uani 1 d . . .
H502 H 0.4243 0.3634 -0.0019 0.032(13) Uiso 1 calc R . .
C503 C 0.3937(5) 0.4835(3) 0.0462(3) 0.0433(12) Uani 1 d . . .
H503 H 0.4796 0.5069 0.0818 0.065(18) Uiso 1 calc R . .
C505 C 0.1775(6) 0.5007(3) -0.0079(3) 0.0459(13) Uani 1 d . . .
H505 H 0.1151 0.5361 -0.0107 0.055(16) Uiso 1 calc R . .
C504 C 0.3015(6) 0.5344(3) 0.0437(3) 0.0468(14) Uani 1 d . . .
H504 H 0.3241 0.5927 0.0777 0.057(16) Uiso 1 calc R . .
C506 C 0.1424(5) 0.4154(3) -0.0562(3) 0.0342(10) Uani 1 d . . .
H506 H 0.0557 0.3921 -0.0904 0.066(19) Uiso 1 calc R . .
C601 C 0.2453(4) 0.1648(2) -0.0578(2) 0.0194(8) Uani 1 d . . .
C602 C 0.2290(4) 0.1913(3) 0.0192(3) 0.0307(10) Uani 1 d . . .
H602 H 0.1882 0.2382 0.0395 0.044(15) Uiso 1 calc R . .
C603 C 0.2728(5) 0.1489(3) 0.0664(3) 0.0380(11) Uani 1 d . . .
H603 H 0.2622 0.1669 0.1192 0.036(13) Uiso 1 calc R . .
C604 C 0.3322(4) 0.0802(3) 0.0364(3) 0.0301(10) Uani 1 d . . .
H604 H 0.3628 0.0514 0.0688 0.029(12) Uiso 1 calc R . .
C605 C 0.3467(4) 0.0539(3) -0.0400(3) 0.0278(9) Uani 1 d . . .
H605 H 0.3861 0.0063 -0.0605 0.022(11) Uiso 1 calc R . .
C606 C 0.3044(4) 0.0960(2) -0.0879(2) 0.0246(9) Uani 1 d . . .
H606 H 0.3159 0.0780 -0.1405 0.036(13) Uiso 1 calc R . .
C1 C 0.2912(7) 0.4656(5) 0.2198(4) 0.0656(18) Uani 1 d . . .
H1 H 0.3356 0.5120 0.2127 0.058(17) Uiso 1 calc R . .
Cl1 Cl 0.1415(2) 0.41890(13) 0.14150(11) 0.0790(5) Uani 1 d . . .
Cl2 Cl 0.2748(3) 0.50153(17) 0.31589(12) 0.1076(8) Uani 1 d . . .
Cl3 Cl 0.3859(3) 0.38426(17) 0.20717(18) 0.1236(9) Uani 1 d . . .
C2 C 0.1966(4) 0.4375(4) 0.7295(3) 0.085(2) Uani 1 d D . .
H2 H 0.2123 0.3873 0.7399 0.12(3) Uiso 1 calc R B 1
Cl4 Cl 0.1371(3) 0.40790(17) 0.62535(14) 0.0868(10) Uani 0.756(4) d PD C 1
Cl5 Cl 0.0788(3) 0.4828(2) 0.77264(19) 0.1017(11) Uani 0.756(4) d PD C 1
Cl6 Cl 0.3415(3) 0.5089(2) 0.7700(3) 0.1301(18) Uani 0.756(4) d PD C 1
Cl4' Cl 0.2692(14) 0.4364(11) 0.6567(8) 0.203(6) Uiso 0.244(4) d PD C 2
Cl5' Cl 0.0277(7) 0.4199(11) 0.6870(9) 0.203(6) Uiso 0.244(4) d PD C 2
Cl6' Cl 0.2453(15) 0.5307(8) 0.8144(7) 0.203(6) Uiso 0.244(4) d PD C 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'
O O 0.0106 0.0060 '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
C201 Sb1 C101 129.28(15) . . ?
C201 Sb1 O11 92.09(13) . . ?
C101 Sb1 O11 94.59(13) . . ?
C201 Sb1 C301 116.51(16) . . ?
C101 Sb1 C301 114.14(16) . . ?
O11 Sb1 C301 85.19(14) . . ?
C201 Sb1 O21 93.10(13) . . ?
C101 Sb1 O21 90.43(13) . . ?
O11 Sb1 O21 168.05(11) . . ?
C301 Sb1 O21 82.86(13) . . ?
C11 O11 Sb1 122.9(3) . . ?
C21 O21 Sb1 118.8(2) . . ?
O12 C11 O11 122.6(4) . . ?
O12 C11 C13 122.1(4) . . ?
O11 C11 C13 115.3(4) . . ?
O13 C12 C17 117.9(4) . . ?
O13 C12 C13 122.7(4) . . ?
C17 C12 C13 119.4(4) . . ?
C14 C13 C12 118.8(4) . . ?
C14 C13 C11 121.1(4) . . ?
C12 C13 C11 120.2(4) . . ?
C15 C14 C13 121.5(4) . . ?
C14 C15 C16 119.1(5) . . ?
C17 C16 C15 121.7(4) . . ?
C16 C17 C12 119.5(4) . . ?
O22 C21 O21 121.9(4) . . ?
O22 C21 C23 122.0(4) . . ?
O21 C21 C23 116.1(4) . . ?
O23 C22 C27 117.0(5) . . ?
O23 C22 C23 123.0(4) . . ?
C27 C22 C23 120.0(4) . . ?
C24 C23 C22 118.1(4) . . ?
C24 C23 C21 122.4(4) . . ?
C22 C23 C21 119.4(4) . . ?
O23' C24 C25 116.0(7) . . ?
O23' C24 C23 122.0(7) . . ?
C25 C24 C23 121.3(4) . . ?
C24 C25 C26 120.3(5) . . ?
C25 C26 C27 119.8(4) . . ?
C22 C27 C26 120.5(5) . . ?
C106 C101 C102 120.3(4) . . ?
C106 C101 Sb1 124.2(3) . . ?
C102 C101 Sb1 115.5(3) . . ?
C101 C102 C103 119.2(4) . . ?
C104 C103 C102 120.2(4) . . ?
C105 C104 C103 120.2(4) . . ?
C104 C105 C106 120.5(4) . . ?
C101 C106 C105 119.6(4) . . ?
C202 C201 C206 121.5(4) . . ?
C202 C201 Sb1 117.6(3) . . ?
C206 C201 Sb1 120.9(3) . . ?
C201 C202 C203 118.5(4) . . ?
C202 C203 C204 120.4(4) . . ?
C205 C204 C203 120.3(4) . . ?
C204 C205 C206 120.2(4) . . ?
C201 C206 C205 119.1(4) . . ?
C302 C301 C306 120.3(4) . . ?
C302 C301 Sb1 120.3(3) . . ?
C306 C301 Sb1 119.4(3) . . ?
C303 C302 C301 119.8(4) . . ?
C304 C303 C302 120.1(5) . . ?
C303 C304 C305 120.1(4) . . ?
C306 C305 C304 120.7(5) . . ?
C305 C306 C301 119.0(4) . . ?
C401 Sb2 C501 120.47(16) . . ?
C401 Sb2 C601 125.37(15) . . ?
C501 Sb2 C601 114.15(16) . . ?
C401 Sb2 O41 93.36(13) . . ?
C501 Sb2 O41 83.90(14) . . ?
C601 Sb2 O41 92.85(13) . . ?
C401 Sb2 O31 89.20(13) . . ?
C501 Sb2 O31 94.93(14) . . ?
C601 Sb2 O31 85.53(13) . . ?
O41 Sb2 O31 177.44(11) . . ?
C31 O31 Sb2 123.8(3) . . ?
C41 O41 Sb2 119.7(2) . . ?
O32 C31 O31 122.8(4) . . ?
O32 C31 C33 121.5(4) . . ?
O31 C31 C33 115.7(4) . . ?
O33 C32 C37 118.0(4) . . ?
O33 C32 C33 122.3(4) . . ?
C37 C32 C33 119.8(5) . . ?
C34 C33 C32 119.2(4) . . ?
C34 C33 C31 120.8(4) . . ?
C32 C33 C31 120.0(4) . . ?
C35 C34 C33 120.6(4) . . ?
C34 C35 C36 119.6(5) . . ?
C37 C36 C35 121.2(4) . . ?
C36 C37 C32 119.5(5) . . ?
O42 C41 O41 122.2(4) . . ?
O42 C41 C43 122.2(4) . . ?
O41 C41 C43 115.6(3) . . ?
O43 C42 C47 117.4(4) . . ?
O43 C42 C43 122.3(4) . . ?
C47 C42 C43 120.3(4) . . ?
C42 C43 C44 118.0(4) . . ?
C42 C43 C41 120.5(4) . . ?
C44 C43 C41 121.5(4) . . ?
C45 C44 C43 121.9(4) . . ?
C44 C45 C46 118.8(5) . . ?
C47 C46 C45 120.6(5) . . ?
C46 C47 C42 120.5(4) . . ?
C402 C401 C406 121.1(4) . . ?
C402 C401 Sb2 119.4(3) . . ?
C406 C401 Sb2 119.5(3) . . ?
C401 C402 C403 119.3(4) . . ?
C404 C403 C402 120.5(5) . . ?
C403 C404 C405 119.8(4) . . ?
C404 C405 C406 120.5(4) . . ?
C401 C406 C405 118.7(4) . . ?
C502 C501 C506 120.2(4) . . ?
C502 C501 Sb2 119.5(3) . . ?
C506 C501 Sb2 120.3(3) . . ?
C501 C502 C503 119.6(5) . . ?
C504 C503 C502 120.1(5) . . ?
C504 C505 C506 120.5(5) . . ?
C505 C504 C503 120.0(4) . . ?
C501 C506 C505 119.5(5) . . ?
C602 C601 C606 120.4(4) . . ?
C602 C601 Sb2 117.4(3) . . ?
C606 C601 Sb2 122.2(3) . . ?
C601 C602 C603 119.7(4) . . ?
C602 C603 C604 120.0(4) . . ?
C605 C604 C603 120.0(4) . . ?
C604 C605 C606 120.9(4) . . ?
C601 C606 C605 119.1(4) . . ?
Cl2 C1 Cl1 113.3(4) . . ?
Cl2 C1 Cl3 108.1(4) . . ?
Cl1 C1 Cl3 105.2(4) . . ?
Cl6' C2 Cl4' 111.5(5) . . ?
Cl6' C2 Cl4 135.2(8) . . ?
Cl4' C2 Cl4 46.8(5) . . ?
Cl6' C2 Cl5 62.0(5) . . ?
Cl4' C2 Cl5 140.0(8) . . ?
Cl4 C2 Cl5 107.2(3) . . ?
Cl6' C2 Cl6 50.1(5) . . ?
Cl4' C2 Cl6 66.8(5) . . ?
Cl4 C2 Cl6 109.9(3) . . ?
Cl5 C2 Cl6 110.5(3) . . ?
Cl6' C2 Cl5' 109.8(5) . . ?
Cl4' C2 Cl5' 108.6(5) . . ?
Cl4 C2 Cl5' 62.7(5) . . ?
Cl5 C2 Cl5' 50.2(5) . . ?
Cl6 C2 Cl5' 146.3(8) . . ?
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
Sb1 C201 2.095(4) . ?
Sb1 C101 2.097(4) . ?
Sb1 O11 2.100(3) . ?
Sb1 C301 2.100(4) . ?
Sb1 O21 2.127(3) . ?
O11 C11 1.302(5) . ?
O12 C11 1.233(5) . ?
O13 C12 1.348(5) . ?
O21 C21 1.310(5) . ?
O22 C21 1.234(5) . ?
O23 C22 1.280(6) . ?
O23' C24 1.264(8) . ?
C11 C13 1.480(6) . ?
C12 C17 1.405(6) . ?
C12 C13 1.412(6) . ?
C13 C14 1.386(6) . ?
C14 C15 1.374(6) . ?
C15 C16 1.384(7) . ?
C16 C17 1.365(8) . ?
C21 C23 1.476(6) . ?
C22 C27 1.381(6) . ?
C22 C23 1.417(6) . ?
C23 C24 1.397(6) . ?
C24 C25 1.374(6) . ?
C25 C26 1.383(8) . ?
C26 C27 1.390(8) . ?
C101 C106 1.380(6) . ?
C101 C102 1.389(6) . ?
C102 C103 1.394(7) . ?
C103 C104 1.379(7) . ?
C104 C105 1.366(7) . ?
C105 C106 1.390(6) . ?
C201 C202 1.388(6) . ?
C201 C206 1.388(6) . ?
C202 C203 1.391(6) . ?
C203 C204 1.391(7) . ?
C204 C205 1.375(6) . ?
C205 C206 1.392(6) . ?
C301 C302 1.386(6) . ?
C301 C306 1.395(6) . ?
C302 C303 1.385(6) . ?
C303 C304 1.375(8) . ?
C304 C305 1.385(8) . ?
C305 C306 1.379(7) . ?
Sb2 C401 2.096(4) . ?
Sb2 C501 2.097(4) . ?
Sb2 C601 2.099(4) . ?
Sb2 O41 2.102(3) . ?
Sb2 O31 2.107(3) . ?
O31 C31 1.298(5) . ?
O32 C31 1.246(5) . ?
O33 C32 1.367(6) . ?
O41 C41 1.307(5) . ?
O42 C41 1.236(5) . ?
O43 C42 1.350(5) . ?
C31 C33 1.485(6) . ?
C32 C37 1.394(7) . ?
C32 C33 1.402(6) . ?
C33 C34 1.397(6) . ?
C34 C35 1.367(6) . ?
C35 C36 1.390(7) . ?
C36 C37 1.371(8) . ?
C41 C43 1.475(6) . ?
C42 C47 1.386(6) . ?
C42 C43 1.398(6) . ?
C43 C44 1.402(6) . ?
C44 C45 1.370(7) . ?
C45 C46 1.398(8) . ?
C46 C47 1.370(8) . ?
C401 C402 1.378(6) . ?
C401 C406 1.387(6) . ?
C402 C403 1.392(6) . ?
C403 C404 1.373(7) . ?
C404 C405 1.384(8) . ?
C405 C406 1.394(7) . ?
C501 C502 1.384(6) . ?
C501 C506 1.386(6) . ?
C502 C503 1.390(7) . ?
C503 C504 1.383(8) . ?
C505 C504 1.373(8) . ?
C505 C506 1.388(6) . ?
C601 C602 1.389(6) . ?
C601 C606 1.390(6) . ?
C602 C603 1.389(6) . ?
C603 C604 1.390(7) . ?
C604 C605 1.372(6) . ?
C605 C606 1.391(6) . ?
C1 Cl2 1.715(7) . ?
C1 Cl1 1.772(7) . ?
C1 Cl3 1.786(8) . ?
C2 Cl6' 1.711(6) . ?
C2 Cl4' 1.730(6) . ?
C2 Cl4 1.735(5) . ?
C2 Cl5 1.738(5) . ?
C2 Cl6 1.744(5) . ?
C2 Cl5' 1.749(6) . ?
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
O13 H13 O12 0.84 1.89 2.625(4) 145.4 .
O23 H23 O22 0.84 1.85 2.593(5) 147.2 .
O23' H23' O21 0.84 1.78 2.541(13) 148.8 .
O33 H33 O32 0.84 1.87 2.607(5) 145.2 .
O43 H43 O42 0.84 1.87 2.608(4) 145.7 .
