# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_vic1460
_database_code_depnum_ccdc_archive 'CCDC 1417711'
_audit_update_record             
;
2015-08-08 deposited with the CCDC.
2015-11-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H33 P3 Sb, 3(C F3 O3 S), C2 H3 N'
_chemical_formula_sum            'C39 H36 F9 N O9 P3 S3 Sb'
_chemical_formula_weight         1144.53

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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   12.2821(2)
_cell_length_b                   16.7365(3)
_cell_length_c                   44.4675(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9140.7(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9996
_cell_measurement_theta_min      4.11
_cell_measurement_theta_max      72.62

_exptl_crystal_description       fragment
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_F_000             4592
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.258
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.046
_exptl_absorpt_coefficient_mu    7.874
_shelx_estimated_absorpt_T_min   0.236
_shelx_estimated_absorpt_T_max   0.713
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.2269
_exptl_absorpt_correction_T_max  0.7724
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            60603
_diffrn_reflns_av_unetI/netI     0.0225
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_theta_min         3.976
_diffrn_reflns_theta_max         72.913
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             9109
_reflns_number_gt                8613
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0184P)²+23.4699P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9109
_refine_ls_number_parameters     587
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0415
_refine_ls_wR_factor_ref         0.0956
_refine_ls_wR_factor_gt          0.0942
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_restrained_S_all      1.191
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb 0.31922(2) 0.31993(2) 0.63094(2) 0.02917(7) Uani 1 1 d . . . . .
P1 P 0.29796(8) 0.41803(6) 0.67610(2) 0.0334(2) Uani 1 1 d . . . . .
P2 P 0.24828(8) 0.44354(5) 0.60217(2) 0.0332(2) Uani 1 1 d . . . . .
P3 P 0.50578(8) 0.38762(6) 0.61318(2) 0.0354(2) Uani 1 1 d . . . . .
C1 C 0.2079(4) 0.4946(2) 0.66135(9) 0.0439(10) Uani 1 1 d . . . . .
H1A H 0.1327 0.4734 0.6610 0.053 Uiso 1 1 calc R U . . .
H1B H 0.2090 0.5409 0.6752 0.053 Uiso 1 1 calc R U . . .
C2 C 0.2372(4) 0.5233(2) 0.62987(9) 0.0411(9) Uani 1 1 d . . . . .
H2A H 0.3075 0.5522 0.6308 0.049 Uiso 1 1 calc R U . . .
H2B H 0.1811 0.5617 0.6231 0.049 Uiso 1 1 calc R U . . .
C3 C 0.3560(3) 0.4684(3) 0.57596(10) 0.0440(9) Uani 1 1 d . . . . .
H3A H 0.3615 0.4260 0.5605 0.053 Uiso 1 1 calc R U . . .
H3B H 0.3381 0.5192 0.5657 0.053 Uiso 1 1 calc R U . . .
C4 C 0.4664(3) 0.4769(3) 0.59221(10) 0.0469(10) Uani 1 1 d . . . . .
H4A H 0.4624 0.5227 0.6063 0.056 Uiso 1 1 calc R U . . .
H4B H 0.5234 0.4889 0.5771 0.056 Uiso 1 1 calc R U . . .
C11 C 0.2298(3) 0.3722(3) 0.70730(8) 0.0376(8) Uani 1 1 d . . . . .
C12 C 0.2336(3) 0.2904(3) 0.71196(9) 0.0455(10) Uani 1 1 d . . . . .
H12 H 0.2686 0.2567 0.6977 0.055 Uiso 1 1 calc R U . . .
C13 C 0.1858(4) 0.2577(3) 0.73757(11) 0.0568(12) Uani 1 1 d . . . . .
H13 H 0.1882 0.2016 0.7408 0.068 Uiso 1 1 calc R U . . .
C14 C 0.1352(4) 0.3065(4) 0.75818(10) 0.0617(14) Uani 1 1 d . . . . .
H14 H 0.1025 0.2840 0.7756 0.074 Uiso 1 1 calc R U . . .
C15 C 0.1319(4) 0.3880(4) 0.75355(11) 0.0609(14) Uani 1 1 d . . . . .
H15 H 0.0974 0.4214 0.7680 0.073 Uiso 1 1 calc R U . . .
C16 C 0.1783(3) 0.4218(3) 0.72820(10) 0.0477(10) Uani 1 1 d . . . . .
H16 H 0.1751 0.4779 0.7250 0.057 Uiso 1 1 calc R U . . .
C21 C 0.4190(3) 0.4624(2) 0.69163(8) 0.0365(8) Uani 1 1 d . . . . .
C22 C 0.4932(3) 0.4128(2) 0.70580(9) 0.0421(9) Uani 1 1 d . . . . .
H22 H 0.4813 0.3567 0.7060 0.051 Uiso 1 1 calc R U . . .
C23 C 0.5843(3) 0.4443(3) 0.71961(10) 0.0488(10) Uani 1 1 d . . . . .
H23 H 0.6351 0.4099 0.7292 0.059 Uiso 1 1 calc R U . . .
C24 C 0.6015(4) 0.5251(3) 0.71954(11) 0.0594(13) Uani 1 1 d . . . . .
H24 H 0.6639 0.5467 0.7291 0.071 Uiso 1 1 calc R U . . .
C25 C 0.5281(5) 0.5749(3) 0.70551(12) 0.0756(18) Uani 1 1 d . . . . .
H25 H 0.5410 0.6309 0.7053 0.091 Uiso 1 1 calc R U . . .
C26 C 0.4355(5) 0.5447(3) 0.69160(11) 0.0584(13) Uani 1 1 d . . . . .
H26 H 0.3846 0.5795 0.6823 0.070 Uiso 1 1 calc R U . . .
C31 C 0.1224(3) 0.4373(2) 0.58195(9) 0.0385(9) Uani 1 1 d . . . . .
C32 C 0.0250(3) 0.4575(3) 0.59586(10) 0.0458(10) Uani 1 1 d . . . . .
H32 H 0.0244 0.4722 0.6165 0.055 Uiso 1 1 calc R U . . .
C33 C -0.0711(4) 0.4563(3) 0.57969(12) 0.0550(12) Uani 1 1 d . . . . .
H33 H -0.1377 0.4694 0.5893 0.066 Uiso 1 1 calc R U . . .
C34 C -0.0707(4) 0.4361(3) 0.54966(13) 0.0657(14) Uani 1 1 d . . . . .
H34 H -0.1367 0.4363 0.5386 0.079 Uiso 1 1 calc R U . . .
C35 C 0.0259(4) 0.4155(3) 0.53570(12) 0.0636(14) Uani 1 1 d . . . . .
H35 H 0.0260 0.4016 0.5150 0.076 Uiso 1 1 calc R U . . .
C36 C 0.1227(4) 0.4150(3) 0.55180(10) 0.0512(11) Uani 1 1 d . . . . .
H36 H 0.1887 0.3995 0.5423 0.061 Uiso 1 1 calc R U . . .
C41 C 0.6185(3) 0.4178(2) 0.63671(9) 0.0386(8) Uani 1 1 d . . . . .
C42 C 0.6773(3) 0.3599(3) 0.65155(10) 0.0487(10) Uani 1 1 d . . . . .
H42 H 0.6515 0.3064 0.6520 0.058 Uiso 1 1 calc R U . . .
C43 C 0.7738(4) 0.3792(3) 0.66585(11) 0.0526(11) Uani 1 1 d . . . . .
H43 H 0.8140 0.3389 0.6760 0.063 Uiso 1 1 calc R U . . .
C44 C 0.8113(4) 0.4556(4) 0.66551(11) 0.0607(13) Uani 1 1 d . . . . .
H44 H 0.8781 0.4684 0.6751 0.073 Uiso 1 1 calc R U . . .
C45 C 0.7533(5) 0.5135(4) 0.65141(14) 0.0797(18) Uani 1 1 d . . . . .
H45 H 0.7799 0.5668 0.6512 0.096 Uiso 1 1 calc R U . . .
C46 C 0.6557(5) 0.4958(3) 0.63732(13) 0.0659(15) Uani 1 1 d . . . . .
H46 H 0.6144 0.5370 0.6281 0.079 Uiso 1 1 calc R U . . .
C51 C 0.5671(3) 0.3148(3) 0.58816(10) 0.0447(9) Uani 1 1 d . . . . .
C52 C 0.5725(4) 0.2362(3) 0.59758(12) 0.0553(12) Uani 1 1 d . . . . .
H52 H 0.5357 0.2198 0.6153 0.066 Uiso 1 1 calc R U . . .
C53 C 0.6322(5) 0.1812(4) 0.58091(16) 0.0792(18) Uani 1 1 d . . . . .
H53 H 0.6375 0.1274 0.5875 0.095 Uiso 1 1 calc R U . . .
C54 C 0.6832(5) 0.2047(5) 0.55507(18) 0.097(2) Uani 1 1 d . . . . .
H54 H 0.7234 0.1667 0.5437 0.116 Uiso 1 1 calc R U . . .
C55 C 0.6769(6) 0.2824(5) 0.54533(16) 0.096(2) Uani 1 1 d . . . . .
H55 H 0.7115 0.2976 0.5271 0.116 Uiso 1 1 calc R U . . .
C56 C 0.6199(5) 0.3393(4) 0.56208(12) 0.0724(16) Uani 1 1 d . . . . .
H56 H 0.6173 0.3935 0.5558 0.087 Uiso 1 1 calc R U . . .
S1 S 0.25844(11) 0.21408(8) 0.55561(3) 0.0559(3) Uani 1 1 d . . . . .
F11 F 0.3202(3) 0.0991(2) 0.52124(8) 0.0897(11) Uani 1 1 d . . . . .
F12 F 0.4194(3) 0.1175(2) 0.56063(12) 0.1197(16) Uani 1 1 d . . . . .
F13 F 0.4337(4) 0.1963(2) 0.52375(11) 0.139(2) Uani 1 1 d . . . . .
O11 O 0.3140(3) 0.27779(19) 0.57128(7) 0.0552(8) Uani 1 1 d . . . . .
O12 O 0.2013(5) 0.2436(3) 0.52942(12) 0.127(2) Uani 1 1 d . . . . .
O13 O 0.2014(4) 0.1587(3) 0.57317(12) 0.1093(18) Uani 1 1 d . . . . .
C10 C 0.3631(5) 0.1556(3) 0.53880(14) 0.0718(16) Uani 1 1 d . . . . .
S2 S 0.47429(7) 0.16138(5) 0.68121(2) 0.0366(2) Uani 1 1 d . . . . .
F21 F 0.6113(3) 0.09928(18) 0.71987(7) 0.0744(9) Uani 1 1 d . . . . .
F22 F 0.6827(2) 0.18620(19) 0.69052(8) 0.0699(8) Uani 1 1 d . . . . .
F23 F 0.5793(2) 0.22443(18) 0.72664(7) 0.0684(8) Uani 1 1 d . . . . .
O21 O 0.4636(2) 0.24311(16) 0.67047(6) 0.0421(6) Uani 1 1 d . . . . .
O22 O 0.3884(2) 0.13616(17) 0.70099(7) 0.0457(7) Uani 1 1 d . . . . .
O23 O 0.5058(2) 0.10538(17) 0.65842(7) 0.0482(7) Uani 1 1 d . . . . .
C20 C 0.5930(4) 0.1681(3) 0.70598(11) 0.0522(11) Uani 1 1 d . . . . .
S3 S 0.05713(8) 0.25237(6) 0.64832(2) 0.0452(2) Uani 1 1 d . . . . .
F31 F -0.0729(5) 0.1699(2) 0.61408(14) 0.155(2) Uani 1 1 d . . . . .
F32 F -0.1128(2) 0.2937(2) 0.61609(7) 0.0748(9) Uani 1 1 d . . . . .
F33 F 0.0184(3) 0.2558(2) 0.58990(7) 0.0880(11) Uani 1 1 d . . . . .
O31 O 0.1126(2) 0.32772(17) 0.64211(7) 0.0439(6) Uani 1 1 d . . . . .
O32 O 0.1292(3) 0.18512(19) 0.64638(9) 0.0650(10) Uani 1 1 d . . . . .
O33 O -0.0144(3) 0.2550(2) 0.67347(8) 0.0667(10) Uani 1 1 d . . . . .
C30 C -0.0342(4) 0.2409(3) 0.61593(13) 0.0610(13) Uani 1 1 d . . . . .
N1S N 0.3631(9) 0.4757(5) 0.4750(3) 0.185(5) Uani 1 1 d . . . . .
C1S C 0.4143(7) 0.4217(5) 0.4793(2) 0.102(2) Uani 1 1 d . . . . .
C2S C 0.4726(9) 0.3519(6) 0.4833(3) 0.159(4) Uani 1 1 d . . . . .
H2SA H 0.4583 0.3155 0.4665 0.190 Uiso 1 1 calc R U . . .
H2SB H 0.4503 0.3264 0.5022 0.190 Uiso 1 1 calc R U . . .
H2SC H 0.5506 0.3642 0.4841 0.190 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 P2 2.5837(9) . ?
Sb O31 2.589(3) . ?
Sb P1 2.6069(9) . ?
Sb P3 2.6754(10) . ?
Sb O11 2.746(3) . ?
Sb O21 2.808(3) . ?
P1 C11 1.793(4) . ?
P1 C21 1.800(4) . ?
P1 C1 1.815(4) . ?
P2 C31 1.792(4) . ?
P2 C3 1.812(4) . ?
P2 C2 1.821(4) . ?
P3 C41 1.807(4) . ?
P3 C51 1.813(4) . ?
P3 C4 1.826(4) . ?
C1 C2 1.523(6) . ?
C3 C4 1.543(6) . ?
C11 C12 1.385(6) . ?
C11 C16 1.397(5) . ?
C12 C13 1.393(6) . ?
C13 C14 1.376(7) . ?
C14 C15 1.381(8) . ?
C15 C16 1.383(7) . ?
C21 C22 1.384(5) . ?
C21 C26 1.392(6) . ?
C22 C23 1.381(6) . ?
C23 C24 1.367(7) . ?
C24 C25 1.378(8) . ?
C25 C26 1.390(7) . ?
C31 C32 1.389(6) . ?
C31 C36 1.391(6) . ?
C32 C33 1.382(6) . ?
C33 C34 1.377(7) . ?
C34 C35 1.382(8) . ?
C35 C36 1.388(6) . ?
C41 C42 1.377(6) . ?
C41 C46 1.383(6) . ?
C42 C43 1.383(6) . ?
C43 C44 1.359(7) . ?
C44 C45 1.357(8) . ?
C45 C46 1.385(7) . ?
C51 C52 1.383(7) . ?
C51 C56 1.391(7) . ?
C52 C53 1.390(7) . ?
C53 C54 1.366(10) . ?
C54 C55 1.374(10) . ?
C55 C56 1.397(8) . ?
S1 O13 1.400(4) . ?
S1 O11 1.445(3) . ?
S1 O12 1.446(4) . ?
S1 C10 1.780(6) . ?
F11 C10 1.335(6) . ?
F12 C10 1.352(7) . ?
F13 C10 1.290(7) . ?
S2 O23 1.434(3) . ?
S2 O22 1.437(3) . ?
S2 O21 1.455(3) . ?
S2 C20 1.831(4) . ?
F21 C20 1.326(5) . ?
F22 C20 1.333(6) . ?
F23 C20 1.327(5) . ?
S3 O33 1.423(3) . ?
S3 O32 1.434(3) . ?
S3 O31 1.460(3) . ?
S3 C30 1.836(6) . ?
F31 C30 1.283(6) . ?
F32 C30 1.308(6) . ?
F33 C30 1.349(6) . ?
N1S C1S 1.118(10) . ?
C1S C2S 1.382(11) . ?

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
P2 Sb O31 73.99(6) . . ?
P2 Sb P1 80.98(3) . . ?
O31 Sb P1 73.88(7) . . ?
P2 Sb P3 78.67(3) . . ?
O31 Sb P3 151.02(7) . . ?
P1 Sb P3 92.67(3) . . ?
P2 Sb O11 73.71(7) . . ?
O31 Sb O11 100.10(10) . . ?
P1 Sb O11 154.64(7) . . ?
P3 Sb O11 80.99(8) . . ?
P2 Sb O21 152.79(6) . . ?
O31 Sb O21 121.46(9) . . ?
P1 Sb O21 82.50(6) . . ?
P3 Sb O21 80.67(6) . . ?
O11 Sb O21 120.12(9) . . ?
C11 P1 C21 105.39(17) . . ?
C11 P1 C1 107.28(19) . . ?
C21 P1 C1 110.5(2) . . ?
C11 P1 Sb 111.93(14) . . ?
C21 P1 Sb 118.22(12) . . ?
C1 P1 Sb 103.14(13) . . ?
C31 P2 C3 108.71(19) . . ?
C31 P2 C2 108.53(19) . . ?
C3 P2 C2 108.8(2) . . ?
C31 P2 Sb 119.51(13) . . ?
C3 P2 Sb 104.83(14) . . ?
C2 P2 Sb 106.10(13) . . ?
C41 P3 C51 102.98(19) . . ?
C41 P3 C4 105.68(19) . . ?
C51 P3 C4 110.3(2) . . ?
C41 P3 Sb 127.11(14) . . ?
C51 P3 Sb 104.60(14) . . ?
C4 P3 Sb 105.68(14) . . ?
C2 C1 P1 114.3(3) . . ?
C1 C2 P2 114.1(3) . . ?
C4 C3 P2 111.2(3) . . ?
C3 C4 P3 113.4(3) . . ?
C12 C11 C16 120.2(4) . . ?
C12 C11 P1 121.5(3) . . ?
C16 C11 P1 118.2(3) . . ?
C11 C12 C13 119.8(4) . . ?
C14 C13 C12 120.1(5) . . ?
C13 C14 C15 120.0(5) . . ?
C14 C15 C16 120.9(5) . . ?
C15 C16 C11 119.1(5) . . ?
C22 C21 C26 119.9(4) . . ?
C22 C21 P1 118.1(3) . . ?
C26 C21 P1 121.9(3) . . ?
C23 C22 C21 120.4(4) . . ?
C24 C23 C22 120.1(4) . . ?
C23 C24 C25 119.9(4) . . ?
C24 C25 C26 121.1(5) . . ?
C25 C26 C21 118.6(5) . . ?
C32 C31 C36 119.8(4) . . ?
C32 C31 P2 120.4(3) . . ?
C36 C31 P2 119.8(3) . . ?
C33 C32 C31 120.0(4) . . ?
C34 C33 C32 120.3(5) . . ?
C33 C34 C35 120.0(4) . . ?
C34 C35 C36 120.3(5) . . ?
C35 C36 C31 119.6(5) . . ?
C42 C41 C46 118.7(4) . . ?
C42 C41 P3 118.9(3) . . ?
C46 C41 P3 121.9(3) . . ?
C41 C42 C43 120.4(4) . . ?
C44 C43 C42 120.4(5) . . ?
C45 C44 C43 119.9(4) . . ?
C44 C45 C46 120.7(5) . . ?
C41 C46 C45 119.8(5) . . ?
C52 C51 C56 120.7(5) . . ?
C52 C51 P3 118.3(3) . . ?
C56 C51 P3 120.5(4) . . ?
C51 C52 C53 119.6(5) . . ?
C54 C53 C52 120.0(6) . . ?
C53 C54 C55 120.8(6) . . ?
C54 C55 C56 120.4(6) . . ?
C51 C56 C55 118.5(6) . . ?
O13 S1 O11 117.1(3) . . ?
O13 S1 O12 115.6(4) . . ?
O11 S1 O12 111.4(3) . . ?
O13 S1 C10 103.4(3) . . ?
O11 S1 C10 105.5(3) . . ?
O12 S1 C10 101.6(3) . . ?
S1 O11 Sb 131.8(2) . . ?
F13 C10 F11 109.6(5) . . ?
F13 C10 F12 106.2(6) . . ?
F11 C10 F12 106.7(5) . . ?
F13 C10 S1 114.4(4) . . ?
F11 C10 S1 110.5(4) . . ?
F12 C10 S1 109.1(4) . . ?
O23 S2 O22 116.04(18) . . ?
O23 S2 O21 114.01(19) . . ?
O22 S2 O21 114.27(17) . . ?
O23 S2 C20 104.5(2) . . ?
O22 S2 C20 103.6(2) . . ?
O21 S2 C20 102.21(19) . . ?
S2 O21 Sb 133.87(15) . . ?
F21 C20 F23 108.4(4) . . ?
F21 C20 F22 107.3(4) . . ?
F23 C20 F22 107.5(4) . . ?
F21 C20 S2 111.2(3) . . ?
F23 C20 S2 111.0(3) . . ?
F22 C20 S2 111.2(3) . . ?
O33 S3 O32 116.9(2) . . ?
O33 S3 O31 114.2(2) . . ?
O32 S3 O31 112.24(19) . . ?
O33 S3 C30 104.0(2) . . ?
O32 S3 C30 104.4(2) . . ?
O31 S3 C30 103.1(2) . . ?
S3 O31 Sb 116.77(15) . . ?
F31 C30 F32 110.6(5) . . ?
F31 C30 F33 107.1(5) . . ?
F32 C30 F33 103.5(4) . . ?
F31 C30 S3 111.9(4) . . ?
F32 C30 S3 112.1(4) . . ?
F33 C30 S3 111.1(4) . . ?
N1S C1S C2S 176.0(13) . . ?

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
P2 Sb P1 C11 133.16(13) . . . . ?
O31 Sb P1 C11 57.33(14) . . . . ?
P3 Sb P1 C11 -148.76(13) . . . . ?
O11 Sb P1 C11 136.8(2) . . . . ?
O21 Sb P1 C11 -68.54(14) . . . . ?
P2 Sb P1 C21 -104.11(15) . . . . ?
O31 Sb P1 C21 -179.93(16) . . . . ?
P3 Sb P1 C21 -26.03(15) . . . . ?
O11 Sb P1 C21 -100.5(2) . . . . ?
O21 Sb P1 C21 54.19(16) . . . . ?
P2 Sb P1 C1 18.15(16) . . . . ?
O31 Sb P1 C1 -57.68(17) . . . . ?
P3 Sb P1 C1 96.23(16) . . . . ?
O11 Sb P1 C1 21.8(2) . . . . ?
O21 Sb P1 C1 176.45(17) . . . . ?
O31 Sb P2 C31 -43.10(18) . . . . ?
P1 Sb P2 C31 -118.81(16) . . . . ?
P3 Sb P2 C31 146.61(17) . . . . ?
O11 Sb P2 C31 62.80(18) . . . . ?
O21 Sb P2 C31 -172.1(2) . . . . ?
O31 Sb P2 C3 -165.18(16) . . . . ?
P1 Sb P2 C3 119.11(15) . . . . ?
P3 Sb P2 C3 24.53(15) . . . . ?
O11 Sb P2 C3 -59.28(17) . . . . ?
O21 Sb P2 C3 65.8(2) . . . . ?
O31 Sb P2 C2 79.82(17) . . . . ?
P1 Sb P2 C2 4.11(16) . . . . ?
P3 Sb P2 C2 -90.47(16) . . . . ?
O11 Sb P2 C2 -174.28(17) . . . . ?
O21 Sb P2 C2 -49.2(2) . . . . ?
P2 Sb P3 C41 124.25(17) . . . . ?
O31 Sb P3 C41 104.7(2) . . . . ?
P1 Sb P3 C41 44.00(17) . . . . ?
O11 Sb P3 C41 -160.70(19) . . . . ?
O21 Sb P3 C41 -37.95(18) . . . . ?
P2 Sb P3 C51 -116.52(15) . . . . ?
O31 Sb P3 C51 -136.1(2) . . . . ?
P1 Sb P3 C51 163.23(15) . . . . ?
O11 Sb P3 C51 -41.47(17) . . . . ?
O21 Sb P3 C51 81.28(16) . . . . ?
P2 Sb P3 C4 -0.11(16) . . . . ?
O31 Sb P3 C4 -19.7(2) . . . . ?
P1 Sb P3 C4 -80.36(16) . . . . ?
O11 Sb P3 C4 74.94(17) . . . . ?
O21 Sb P3 C4 -162.31(17) . . . . ?
C11 P1 C1 C2 -163.4(3) . . . . ?
C21 P1 C1 C2 82.2(3) . . . . ?
Sb P1 C1 C2 -45.1(3) . . . . ?
P1 C1 C2 P2 54.3(4) . . . . ?
C31 P2 C2 C1 97.3(3) . . . . ?
C3 P2 C2 C1 -144.6(3) . . . . ?
Sb P2 C2 C1 -32.3(3) . . . . ?
C31 P2 C3 C4 178.5(3) . . . . ?
C2 P2 C3 C4 60.5(3) . . . . ?
Sb P2 C3 C4 -52.7(3) . . . . ?
P2 C3 C4 P3 57.0(4) . . . . ?
C41 P3 C4 C3 -167.5(3) . . . . ?
C51 P3 C4 C3 81.9(4) . . . . ?
Sb P3 C4 C3 -30.6(4) . . . . ?
C21 P1 C11 C12 -102.9(4) . . . . ?
C1 P1 C11 C12 139.3(3) . . . . ?
Sb P1 C11 C12 26.8(4) . . . . ?
C21 P1 C11 C16 72.8(3) . . . . ?
C1 P1 C11 C16 -45.0(4) . . . . ?
Sb P1 C11 C16 -157.5(3) . . . . ?
C16 C11 C12 C13 0.0(6) . . . . ?
P1 C11 C12 C13 175.6(3) . . . . ?
C11 C12 C13 C14 -0.1(7) . . . . ?
C12 C13 C14 C15 -0.2(7) . . . . ?
C13 C14 C15 C16 0.6(7) . . . . ?
C14 C15 C16 C11 -0.7(7) . . . . ?
C12 C11 C16 C15 0.4(6) . . . . ?
P1 C11 C16 C15 -175.4(3) . . . . ?
C11 P1 C21 C22 59.9(3) . . . . ?
C1 P1 C21 C22 175.5(3) . . . . ?
Sb P1 C21 C22 -66.1(3) . . . . ?
C11 P1 C21 C26 -115.5(4) . . . . ?
C1 P1 C21 C26 0.1(4) . . . . ?
Sb P1 C21 C26 118.6(4) . . . . ?
C26 C21 C22 C23 -0.8(6) . . . . ?
P1 C21 C22 C23 -176.3(3) . . . . ?
C21 C22 C23 C24 0.5(7) . . . . ?
C22 C23 C24 C25 -0.4(8) . . . . ?
C23 C24 C25 C26 0.7(9) . . . . ?
C24 C25 C26 C21 -1.1(9) . . . . ?
C22 C21 C26 C25 1.1(7) . . . . ?
P1 C21 C26 C25 176.4(4) . . . . ?
C3 P2 C31 C32 -148.6(3) . . . . ?
C2 P2 C31 C32 -30.5(4) . . . . ?
Sb P2 C31 C32 91.2(3) . . . . ?
C3 P2 C31 C36 28.9(4) . . . . ?
C2 P2 C31 C36 147.0(3) . . . . ?
Sb P2 C31 C36 -91.3(4) . . . . ?
C36 C31 C32 C33 -0.7(6) . . . . ?
P2 C31 C32 C33 176.8(3) . . . . ?
C31 C32 C33 C34 -0.9(7) . . . . ?
C32 C33 C34 C35 1.2(8) . . . . ?
C33 C34 C35 C36 0.1(8) . . . . ?
C34 C35 C36 C31 -1.6(8) . . . . ?
C32 C31 C36 C35 1.9(7) . . . . ?
P2 C31 C36 C35 -175.6(4) . . . . ?
C51 P3 C41 C42 -53.7(4) . . . . ?
C4 P3 C41 C42 -169.4(4) . . . . ?
Sb P3 C41 C42 66.2(4) . . . . ?
C51 P3 C41 C46 118.2(4) . . . . ?
C4 P3 C41 C46 2.4(5) . . . . ?
Sb P3 C41 C46 -121.9(4) . . . . ?
C46 C41 C42 C43 -2.3(7) . . . . ?
P3 C41 C42 C43 169.8(4) . . . . ?
C41 C42 C43 C44 0.3(7) . . . . ?
C42 C43 C44 C45 0.9(8) . . . . ?
C43 C44 C45 C46 0.1(9) . . . . ?
C42 C41 C46 C45 3.2(8) . . . . ?
P3 C41 C46 C45 -168.7(5) . . . . ?
C44 C45 C46 C41 -2.2(10) . . . . ?
C41 P3 C51 C52 86.4(4) . . . . ?
C4 P3 C51 C52 -161.2(3) . . . . ?
Sb P3 C51 C52 -48.0(4) . . . . ?
C41 P3 C51 C56 -85.2(4) . . . . ?
C4 P3 C51 C56 27.2(5) . . . . ?
Sb P3 C51 C56 140.4(4) . . . . ?
C56 C51 C52 C53 0.5(7) . . . . ?
P3 C51 C52 C53 -171.1(4) . . . . ?
C51 C52 C53 C54 -1.3(9) . . . . ?
C52 C53 C54 C55 0.4(11) . . . . ?
C53 C54 C55 C56 1.3(12) . . . . ?
C52 C51 C56 C55 1.2(8) . . . . ?
P3 C51 C56 C55 172.6(5) . . . . ?
C54 C55 C56 C51 -2.1(10) . . . . ?
O13 S1 O11 Sb -5.0(4) . . . . ?
O12 S1 O11 Sb 131.3(3) . . . . ?
C10 S1 O11 Sb -119.4(3) . . . . ?
P2 Sb O11 S1 -122.0(3) . . . . ?
O31 Sb O11 S1 -52.2(3) . . . . ?
P1 Sb O11 S1 -125.8(2) . . . . ?
P3 Sb O11 S1 157.2(2) . . . . ?
O21 Sb O11 S1 83.6(3) . . . . ?
O13 S1 C10 F13 -173.3(6) . . . . ?
O11 S1 C10 F13 -49.8(6) . . . . ?
O12 S1 C10 F13 66.6(6) . . . . ?
O13 S1 C10 F11 62.5(5) . . . . ?
O11 S1 C10 F11 -174.0(4) . . . . ?
O12 S1 C10 F11 -57.7(5) . . . . ?
O13 S1 C10 F12 -54.5(5) . . . . ?
O11 S1 C10 F12 69.0(4) . . . . ?
O12 S1 C10 F12 -174.7(4) . . . . ?
O23 S2 O21 Sb 67.3(3) . . . . ?
O22 S2 O21 Sb -69.5(3) . . . . ?
C20 S2 O21 Sb 179.4(2) . . . . ?
P2 Sb O21 S2 -179.14(13) . . . . ?
O31 Sb O21 S2 62.0(3) . . . . ?
P1 Sb O21 S2 127.9(2) . . . . ?
P3 Sb O21 S2 -138.2(2) . . . . ?
O11 Sb O21 S2 -64.4(3) . . . . ?
O23 S2 C20 F21 -65.5(4) . . . . ?
O22 S2 C20 F21 56.5(4) . . . . ?
O21 S2 C20 F21 175.5(3) . . . . ?
O23 S2 C20 F23 173.7(3) . . . . ?
O22 S2 C20 F23 -64.4(4) . . . . ?
O21 S2 C20 F23 54.6(4) . . . . ?
O23 S2 C20 F22 54.1(4) . . . . ?
O22 S2 C20 F22 176.0(3) . . . . ?
O21 S2 C20 F22 -65.0(4) . . . . ?
O33 S3 O31 Sb 134.72(19) . . . . ?
O32 S3 O31 Sb -1.3(3) . . . . ?
C30 S3 O31 Sb -113.1(2) . . . . ?
P2 Sb O31 S3 151.22(19) . . . . ?
P1 Sb O31 S3 -123.76(18) . . . . ?
P3 Sb O31 S3 171.19(8) . . . . ?
O11 Sb O31 S3 81.56(19) . . . . ?
O21 Sb O31 S3 -53.4(2) . . . . ?
O33 S3 C30 F31 -74.6(5) . . . . ?
O32 S3 C30 F31 48.5(5) . . . . ?
O31 S3 C30 F31 166.0(5) . . . . ?
O33 S3 C30 F32 50.5(4) . . . . ?
O32 S3 C30 F32 173.5(4) . . . . ?
O31 S3 C30 F32 -69.0(4) . . . . ?
O33 S3 C30 F33 165.8(4) . . . . ?
O32 S3 C30 F33 -71.2(4) . . . . ?
O31 S3 C30 F33 46.3(4) . . . . ?

_refine_diff_density_max         0.913
_refine_diff_density_min         -0.811
_refine_diff_density_rms         0.070

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_vic1256
_database_code_depnum_ccdc_archive 'CCDC 1417712'
_audit_update_record             
;
2015-08-08 deposited with the CCDC.
2015-11-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H22 F9 O9 P2 S3 Sb, C2 H3 N'
_chemical_formula_sum            'C30 H25 F9 N O9 P2 S3 Sb'
_chemical_formula_weight         994.38

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'
O O 0.0106 0.0060 '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'
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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.1263(5)
_cell_length_b                   19.3196(10)
_cell_length_c                   21.6426(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.3749(6)
_cell_angle_gamma                90.00
_cell_volume                     3765.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9642
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      24.44

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1976
_exptl_absorpt_coefficient_mu    1.081
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.6531
_exptl_absorpt_correction_T_max  0.8049
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32826
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0208
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.91
_diffrn_reflns_theta_max         27.51
_reflns_number_total             8639
_reflns_number_gt                7632
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'DIRDIF-2008 (Beurskens et al., 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0240P)²+2.4047P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8639
_refine_ls_number_parameters     497
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0233
_refine_ls_wR_factor_ref         0.0568
_refine_ls_wR_factor_gt          0.0543
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.383876(12) 0.206206(6) 0.368939(5) 0.01877(4) Uani 1 1 d . . .
S1 S 0.20049(5) 0.33949(2) 0.40834(2) 0.02596(10) Uani 1 1 d . . .
S2 S 0.46450(6) 0.04009(2) 0.34739(3) 0.03168(11) Uani 1 1 d . . .
S3 S 0.06267(5) 0.19977(2) 0.25915(2) 0.02464(10) Uani 1 1 d . . .
P1 P 0.55949(5) 0.24758(2) 0.29043(2) 0.01766(9) Uani 1 1 d . . .
P2 P 0.66414(5) 0.23725(2) 0.42177(2) 0.01839(9) Uani 1 1 d . . .
F1 F 0.03541(18) 0.44529(7) 0.37171(9) 0.0666(5) Uani 1 1 d . . .
F2 F 0.26090(17) 0.45561(6) 0.35619(8) 0.0511(4) Uani 1 1 d . . .
F3 F 0.10922(16) 0.38941(7) 0.29661(7) 0.0492(4) Uani 1 1 d . . .
F4 F 0.5504(3) -0.06597(8) 0.41609(11) 0.0986(8) Uani 1 1 d . . .
F5 F 0.72880(19) -0.00126(10) 0.39451(10) 0.0805(6) Uani 1 1 d . . .
F6 F 0.5988(2) 0.03034(10) 0.46226(8) 0.0817(6) Uani 1 1 d . . .
F7 F -0.04092(18) 0.11477(10) 0.16885(8) 0.0723(5) Uani 1 1 d . . .
F8 F 0.10315(17) 0.19362(9) 0.14311(7) 0.0560(4) Uani 1 1 d . . .
F9 F 0.19389(17) 0.10741(8) 0.19903(8) 0.0588(4) Uani 1 1 d . . .
O1 O 0.33910(14) 0.31455(6) 0.38625(6) 0.0239(3) Uani 1 1 d . . .
O2 O 0.08203(16) 0.29056(7) 0.39491(7) 0.0324(3) Uani 1 1 d . . .
O3 O 0.22915(18) 0.36984(8) 0.46890(8) 0.0410(4) Uani 1 1 d . . .
O4 O 0.52925(15) 0.11041(7) 0.34787(7) 0.0291(3) Uani 1 1 d . . .
O5 O 0.32480(19) 0.03981(9) 0.36852(10) 0.0566(5) Uani 1 1 d . . .
O6 O 0.4770(2) 0.00229(9) 0.29241(9) 0.0565(5) Uani 1 1 d . . .
O7 O 0.21139(14) 0.23091(7) 0.27364(6) 0.0279(3) Uani 1 1 d . . .
O8 O 0.03361(17) 0.14903(8) 0.30368(7) 0.0359(3) Uani 1 1 d . . .
O9 O -0.05234(16) 0.24863(8) 0.23929(7) 0.0365(3) Uani 1 1 d . . .
C1 C 0.1494(3) 0.41178(11) 0.35451(13) 0.0399(5) Uani 1 1 d . . .
C2 C 0.5924(3) -0.00102(13) 0.40878(15) 0.0538(7) Uani 1 1 d . . .
C3 C 0.0811(3) 0.15097(13) 0.18881(11) 0.0411(5) Uani 1 1 d . . .
C4 C 0.72841(19) 0.23137(9) 0.34630(8) 0.0197(3) Uani 1 1 d . . .
H4A H 0.8051 0.2667 0.3427 0.024 Uiso 1 1 calc R . .
H4B H 0.7693 0.1849 0.3400 0.024 Uiso 1 1 calc R . .
C11 C 0.5541(2) 0.19705(9) 0.22013(8) 0.0215(4) Uani 1 1 d . . .
C12 C 0.4606(2) 0.21948(11) 0.16658(10) 0.0328(5) Uani 1 1 d . . .
H12 H 0.4045 0.2608 0.1675 0.039 Uiso 1 1 calc R . .
C13 C 0.4500(3) 0.18126(14) 0.11191(11) 0.0444(6) Uani 1 1 d . . .
H13 H 0.3854 0.1962 0.0754 0.053 Uiso 1 1 calc R . .
C14 C 0.5324(3) 0.12176(13) 0.11003(11) 0.0412(5) Uani 1 1 d . . .
H14 H 0.5260 0.0963 0.0721 0.049 Uiso 1 1 calc R . .
C15 C 0.6242(3) 0.09911(11) 0.16313(10) 0.0364(5) Uani 1 1 d . . .
H15 H 0.6801 0.0578 0.1618 0.044 Uiso 1 1 calc R . .
C16 C 0.6351(2) 0.13631(10) 0.21840(9) 0.0289(4) Uani 1 1 d . . .
H16 H 0.6977 0.1204 0.2550 0.035 Uiso 1 1 calc R . .
C21 C 0.5582(2) 0.33725(9) 0.26829(8) 0.0219(4) Uani 1 1 d . . .
C22 C 0.4245(2) 0.37312(10) 0.25541(9) 0.0270(4) Uani 1 1 d . . .
H22 H 0.3340 0.3509 0.2600 0.032 Uiso 1 1 calc R . .
C23 C 0.4241(3) 0.44149(11) 0.23580(10) 0.0353(5) Uani 1 1 d . . .
H23 H 0.3331 0.4662 0.2269 0.042 Uiso 1 1 calc R . .
C24 C 0.5554(3) 0.47364(11) 0.22916(10) 0.0388(5) Uani 1 1 d . . .
H24 H 0.5544 0.5206 0.2161 0.047 Uiso 1 1 calc R . .
C25 C 0.6888(3) 0.43809(11) 0.24142(11) 0.0381(5) Uani 1 1 d . . .
H25 H 0.7788 0.4605 0.2365 0.046 Uiso 1 1 calc R . .
C26 C 0.6906(2) 0.36974(10) 0.26084(9) 0.0293(4) Uani 1 1 d . . .
H26 H 0.7818 0.3451 0.2690 0.035 Uiso 1 1 calc R . .
C31 C 0.68297(19) 0.32502(9) 0.45098(8) 0.0207(4) Uani 1 1 d . . .
C32 C 0.5956(2) 0.34493(10) 0.49476(9) 0.0285(4) Uani 1 1 d . . .
H32 H 0.5290 0.3128 0.5085 0.034 Uiso 1 1 calc R . .
C33 C 0.6055(2) 0.41163(11) 0.51844(10) 0.0333(5) Uani 1 1 d . . .
H33 H 0.5467 0.4250 0.5489 0.040 Uiso 1 1 calc R . .
C34 C 0.7004(3) 0.45870(11) 0.49798(11) 0.0360(5) Uani 1 1 d . . .
H34 H 0.7062 0.5047 0.5138 0.043 Uiso 1 1 calc R . .
C35 C 0.7870(3) 0.43873(11) 0.45449(12) 0.0443(6) Uani 1 1 d . . .
H35 H 0.8527 0.4712 0.4406 0.053 Uiso 1 1 calc R . .
C36 C 0.7794(2) 0.37209(10) 0.43090(10) 0.0335(5) Uani 1 1 d . . .
H36 H 0.8399 0.3587 0.4011 0.040 Uiso 1 1 calc R . .
C41 C 0.7779(2) 0.17954(9) 0.47519(9) 0.0240(4) Uani 1 1 d . . .
C42 C 0.7311(2) 0.16309(11) 0.53158(10) 0.0347(5) Uani 1 1 d . . .
H42 H 0.6437 0.1836 0.5421 0.042 Uiso 1 1 calc R . .
C43 C 0.8126(3) 0.11665(13) 0.57221(11) 0.0442(6) Uani 1 1 d . . .
H43 H 0.7810 0.1051 0.6106 0.053 Uiso 1 1 calc R . .
C44 C 0.9393(3) 0.08720(12) 0.55705(12) 0.0450(6) Uani 1 1 d . . .
H44 H 0.9943 0.0551 0.5849 0.054 Uiso 1 1 calc R . .
C45 C 0.9868(3) 0.10405(12) 0.50164(12) 0.0431(6) Uani 1 1 d . . .
H45 H 1.0747 0.0836 0.4916 0.052 Uiso 1 1 calc R . .
C46 C 0.9071(2) 0.15066(11) 0.46041(10) 0.0320(4) Uani 1 1 d . . .
H46 H 0.9405 0.1627 0.4225 0.038 Uiso 1 1 calc R . .
N1S N 0.3537(2) 0.20514(11) 0.49984(10) 0.0444(5) Uani 1 1 d . . .
C1S C 0.3129(2) 0.20637(11) 0.54583(11) 0.0339(5) Uani 1 1 d . . .
C2S C 0.2628(4) 0.20799(19) 0.60578(15) 0.0741(10) Uani 1 1 d . . .
H2SA H 0.3436 0.1931 0.6386 0.089 Uiso 1 1 calc R . .
H2SB H 0.1779 0.1768 0.6048 0.089 Uiso 1 1 calc R . .
H2SC H 0.2329 0.2552 0.6146 0.089 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 O1 2.1769(12) . ?
Sb O4 2.3644(13) . ?
Sb O7 2.4294(13) . ?
Sb P1 2.6423(5) . ?
Sb P2 2.6937(5) . ?
S1 O3 1.4208(16) . ?
S1 O2 1.4298(14) . ?
S1 O1 1.5026(13) . ?
S1 C1 1.830(2) . ?
S2 O6 1.4164(18) . ?
S2 O5 1.4228(18) . ?
S2 O4 1.4809(14) . ?
S2 C2 1.804(3) . ?
S3 O9 1.4249(15) . ?
S3 O8 1.4293(15) . ?
S3 O7 1.4711(14) . ?
S3 C3 1.822(2) . ?
P1 C21 1.7968(18) . ?
P1 C11 1.8016(18) . ?
P1 C4 1.8246(17) . ?
P2 C41 1.8073(18) . ?
P2 C31 1.8081(18) . ?
P2 C4 1.8268(18) . ?
F1 C1 1.329(2) . ?
F2 C1 1.320(3) . ?
F3 C1 1.320(3) . ?
F4 C2 1.329(3) . ?
F5 C2 1.330(3) . ?
F6 C2 1.299(3) . ?
F7 C3 1.326(3) . ?
F8 C3 1.328(3) . ?
F9 C3 1.320(3) . ?
C11 C16 1.390(3) . ?
C11 C12 1.392(3) . ?
C12 C13 1.385(3) . ?
C13 C14 1.378(3) . ?
C14 C15 1.378(3) . ?
C15 C16 1.385(3) . ?
C21 C22 1.392(3) . ?
C21 C26 1.394(3) . ?
C22 C23 1.387(3) . ?
C23 C24 1.377(3) . ?
C24 C25 1.386(3) . ?
C25 C26 1.385(3) . ?
C31 C36 1.384(3) . ?
C31 C32 1.388(3) . ?
C32 C33 1.384(3) . ?
C33 C34 1.378(3) . ?
C34 C35 1.379(3) . ?
C35 C36 1.383(3) . ?
C41 C46 1.388(3) . ?
C41 C42 1.394(3) . ?
C42 C43 1.385(3) . ?
C43 C44 1.375(4) . ?
C44 C45 1.379(4) . ?
C45 C46 1.388(3) . ?
N1S C1S 1.118(3) . ?
C1S C2S 1.445(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
O1 Sb O4 155.90(5) . . ?
O1 Sb O7 80.99(5) . . ?
O4 Sb O7 107.24(5) . . ?
O1 Sb P1 88.30(4) . . ?
O4 Sb P1 72.22(3) . . ?
O7 Sb P1 76.80(3) . . ?
O1 Sb P2 84.53(4) . . ?
O4 Sb P2 74.47(4) . . ?
O7 Sb P2 139.09(3) . . ?
P1 Sb P2 64.666(14) . . ?
O3 S1 O2 118.67(10) . . ?
O3 S1 O1 112.82(9) . . ?
O2 S1 O1 111.80(8) . . ?
O3 S1 C1 105.18(11) . . ?
O2 S1 C1 105.63(10) . . ?
O1 S1 C1 100.51(9) . . ?
O6 S2 O5 117.83(12) . . ?
O6 S2 O4 113.10(11) . . ?
O5 S2 O4 112.24(9) . . ?
O6 S2 C2 105.12(13) . . ?
O5 S2 C2 105.55(14) . . ?
O4 S2 C2 100.90(10) . . ?
O9 S3 O8 116.70(9) . . ?
O9 S3 O7 113.70(9) . . ?
O8 S3 O7 113.76(9) . . ?
O9 S3 C3 104.74(10) . . ?
O8 S3 C3 105.14(11) . . ?
O7 S3 C3 100.50(9) . . ?
C21 P1 C11 107.40(8) . . ?
C21 P1 C4 108.08(8) . . ?
C11 P1 C4 111.75(8) . . ?
C21 P1 Sb 119.00(6) . . ?
C11 P1 Sb 116.30(6) . . ?
C4 P1 Sb 93.29(6) . . ?
C41 P2 C31 110.05(8) . . ?
C41 P2 C4 107.40(9) . . ?
C31 P2 C4 110.18(8) . . ?
C41 P2 Sb 122.75(6) . . ?
C31 P2 Sb 112.76(6) . . ?
C4 P2 Sb 91.58(6) . . ?
S1 O1 Sb 123.67(8) . . ?
S2 O4 Sb 118.93(8) . . ?
S3 O7 Sb 123.25(8) . . ?
F2 C1 F3 109.27(19) . . ?
F2 C1 F1 108.35(18) . . ?
F3 C1 F1 108.4(2) . . ?
F2 C1 S1 110.93(17) . . ?
F3 C1 S1 110.93(15) . . ?
F1 C1 S1 108.86(16) . . ?
F6 C2 F4 107.8(3) . . ?
F6 C2 F5 107.5(2) . . ?
F4 C2 F5 108.9(2) . . ?
F6 C2 S2 112.35(19) . . ?
F4 C2 S2 109.78(19) . . ?
F5 C2 S2 110.4(2) . . ?
F9 C3 F7 108.0(2) . . ?
F9 C3 F8 108.16(19) . . ?
F7 C3 F8 107.8(2) . . ?
F9 C3 S3 111.44(17) . . ?
F7 C3 S3 111.00(16) . . ?
F8 C3 S3 110.32(17) . . ?
P1 C4 P2 102.83(9) . . ?
C16 C11 C12 119.78(18) . . ?
C16 C11 P1 122.58(15) . . ?
C12 C11 P1 117.60(14) . . ?
C13 C12 C11 119.6(2) . . ?
C14 C13 C12 120.5(2) . . ?
C13 C14 C15 120.0(2) . . ?
C14 C15 C16 120.3(2) . . ?
C15 C16 C11 119.83(19) . . ?
C22 C21 C26 120.07(17) . . ?
C22 C21 P1 120.06(14) . . ?
C26 C21 P1 119.78(14) . . ?
C23 C22 C21 119.57(19) . . ?
C24 C23 C22 120.2(2) . . ?
C23 C24 C25 120.6(2) . . ?
C26 C25 C24 119.8(2) . . ?
C25 C26 C21 119.79(19) . . ?
C36 C31 C32 119.84(17) . . ?
C36 C31 P2 122.38(14) . . ?
C32 C31 P2 117.78(14) . . ?
C33 C32 C31 120.04(19) . . ?
C34 C33 C32 120.12(19) . . ?
C33 C34 C35 119.66(19) . . ?
C34 C35 C36 120.9(2) . . ?
C35 C36 C31 119.48(19) . . ?
C46 C41 C42 120.21(18) . . ?
C46 C41 P2 121.43(15) . . ?
C42 C41 P2 118.34(15) . . ?
C43 C42 C41 119.6(2) . . ?
C44 C43 C42 120.1(2) . . ?
C43 C44 C45 120.4(2) . . ?
C44 C45 C46 120.4(2) . . ?
C45 C46 C41 119.3(2) . . ?
N1S C1S C2S 179.0(3) . . ?

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
O1 Sb P1 C21 -10.36(8) . . . . ?
O4 Sb P1 C21 -175.96(8) . . . . ?
O7 Sb P1 C21 70.78(8) . . . . ?
P2 Sb P1 C21 -95.12(7) . . . . ?
O1 Sb P1 C11 -141.32(8) . . . . ?
O4 Sb P1 C11 53.09(8) . . . . ?
O7 Sb P1 C11 -60.17(8) . . . . ?
P2 Sb P1 C11 133.93(7) . . . . ?
O1 Sb P1 C4 102.43(7) . . . . ?
O4 Sb P1 C4 -63.17(7) . . . . ?
O7 Sb P1 C4 -176.43(7) . . . . ?
P2 Sb P1 C4 17.67(6) . . . . ?
O1 Sb P2 C41 139.74(9) . . . . ?
O4 Sb P2 C41 -52.21(9) . . . . ?
O7 Sb P2 C41 -150.79(9) . . . . ?
P1 Sb P2 C41 -129.55(8) . . . . ?
O1 Sb P2 C31 4.36(7) . . . . ?
O4 Sb P2 C31 172.41(8) . . . . ?
O7 Sb P2 C31 73.84(8) . . . . ?
P1 Sb P2 C31 95.07(7) . . . . ?
O1 Sb P2 C4 -108.33(7) . . . . ?
O4 Sb P2 C4 59.72(7) . . . . ?
O7 Sb P2 C4 -38.86(8) . . . . ?
P1 Sb P2 C4 -17.63(6) . . . . ?
O3 S1 O1 Sb 115.41(10) . . . . ?
O2 S1 O1 Sb -21.38(12) . . . . ?
C1 S1 O1 Sb -133.06(11) . . . . ?
O4 Sb O1 S1 -169.48(9) . . . . ?
O7 Sb O1 S1 78.16(9) . . . . ?
P1 Sb O1 S1 155.06(9) . . . . ?
P2 Sb O1 S1 -140.23(9) . . . . ?
O6 S2 O4 Sb 128.40(11) . . . . ?
O5 S2 O4 Sb -7.88(14) . . . . ?
C2 S2 O4 Sb -119.82(13) . . . . ?
O1 Sb O4 S2 174.86(9) . . . . ?
O7 Sb O4 S2 -78.15(9) . . . . ?
P1 Sb O4 S2 -147.62(10) . . . . ?
P2 Sb O4 S2 144.54(9) . . . . ?
O9 S3 O7 Sb 131.70(9) . . . . ?
O8 S3 O7 Sb -5.13(13) . . . . ?
C3 S3 O7 Sb -116.96(11) . . . . ?
O1 Sb O7 S3 -113.04(10) . . . . ?
O4 Sb O7 S3 90.25(10) . . . . ?
P1 Sb O7 S3 156.60(10) . . . . ?
P2 Sb O7 S3 176.24(6) . . . . ?
O3 S1 C1 F2 63.02(17) . . . . ?
O2 S1 C1 F2 -170.67(15) . . . . ?
O1 S1 C1 F2 -54.31(17) . . . . ?
O3 S1 C1 F3 -175.34(15) . . . . ?
O2 S1 C1 F3 -49.02(17) . . . . ?
O1 S1 C1 F3 67.34(16) . . . . ?
O3 S1 C1 F1 -56.1(2) . . . . ?
O2 S1 C1 F1 70.2(2) . . . . ?
O1 S1 C1 F1 -173.44(17) . . . . ?
O6 S2 C2 F6 176.9(2) . . . . ?
O5 S2 C2 F6 -57.8(2) . . . . ?
O4 S2 C2 F6 59.2(2) . . . . ?
O6 S2 C2 F4 -63.1(3) . . . . ?
O5 S2 C2 F4 62.1(3) . . . . ?
O4 S2 C2 F4 179.1(2) . . . . ?
O6 S2 C2 F5 56.9(2) . . . . ?
O5 S2 C2 F5 -177.83(18) . . . . ?
O4 S2 C2 F5 -60.8(2) . . . . ?
O9 S3 C3 F9 174.35(16) . . . . ?
O8 S3 C3 F9 -62.12(19) . . . . ?
O7 S3 C3 F9 56.22(19) . . . . ?
O9 S3 C3 F7 -65.2(2) . . . . ?
O8 S3 C3 F7 58.3(2) . . . . ?
O7 S3 C3 F7 176.63(18) . . . . ?
O9 S3 C3 F8 54.19(18) . . . . ?
O8 S3 C3 F8 177.72(15) . . . . ?
O7 S3 C3 F8 -63.94(17) . . . . ?
C21 P1 C4 P2 97.46(9) . . . . ?
C11 P1 C4 P2 -144.57(8) . . . . ?
Sb P1 C4 P2 -24.51(7) . . . . ?
C41 P2 C4 P1 149.13(8) . . . . ?
C31 P2 C4 P1 -91.00(10) . . . . ?
Sb P2 C4 P1 23.98(7) . . . . ?
C21 P1 C11 C16 141.11(16) . . . . ?
C4 P1 C11 C16 22.74(19) . . . . ?
Sb P1 C11 C16 -82.70(16) . . . . ?
C21 P1 C11 C12 -41.09(18) . . . . ?
C4 P1 C11 C12 -159.46(15) . . . . ?
Sb P1 C11 C12 95.10(16) . . . . ?
C16 C11 C12 C13 -0.5(3) . . . . ?
P1 C11 C12 C13 -178.33(19) . . . . ?
C11 C12 C13 C14 -0.7(4) . . . . ?
C12 C13 C14 C15 1.3(4) . . . . ?
C13 C14 C15 C16 -0.6(4) . . . . ?
C14 C15 C16 C11 -0.6(3) . . . . ?
C12 C11 C16 C15 1.1(3) . . . . ?
P1 C11 C16 C15 178.86(16) . . . . ?
C11 P1 C21 C22 93.36(16) . . . . ?
C4 P1 C21 C22 -145.93(15) . . . . ?
Sb P1 C21 C22 -41.44(17) . . . . ?
C11 P1 C21 C26 -83.25(17) . . . . ?
C4 P1 C21 C26 37.47(18) . . . . ?
Sb P1 C21 C26 141.95(14) . . . . ?
C26 C21 C22 C23 -0.7(3) . . . . ?
P1 C21 C22 C23 -177.29(15) . . . . ?
C21 C22 C23 C24 0.0(3) . . . . ?
C22 C23 C24 C25 0.5(3) . . . . ?
C23 C24 C25 C26 -0.3(3) . . . . ?
C24 C25 C26 C21 -0.4(3) . . . . ?
C22 C21 C26 C25 0.9(3) . . . . ?
P1 C21 C26 C25 177.51(16) . . . . ?
C41 P2 C31 C36 96.84(18) . . . . ?
C4 P2 C31 C36 -21.41(19) . . . . ?
Sb P2 C31 C36 -122.13(16) . . . . ?
C41 P2 C31 C32 -83.68(16) . . . . ?
C4 P2 C31 C32 158.07(14) . . . . ?
Sb P2 C31 C32 57.35(16) . . . . ?
C36 C31 C32 C33 -0.3(3) . . . . ?
P2 C31 C32 C33 -179.79(16) . . . . ?
C31 C32 C33 C34 0.9(3) . . . . ?
C32 C33 C34 C35 -0.9(4) . . . . ?
C33 C34 C35 C36 0.3(4) . . . . ?
C34 C35 C36 C31 0.4(4) . . . . ?
C32 C31 C36 C35 -0.4(3) . . . . ?
P2 C31 C36 C35 179.12(18) . . . . ?
C31 P2 C41 C46 -107.63(17) . . . . ?
C4 P2 C41 C46 12.31(18) . . . . ?
Sb P2 C41 C46 115.96(15) . . . . ?
C31 P2 C41 C42 73.86(17) . . . . ?
C4 P2 C41 C42 -166.19(15) . . . . ?
Sb P2 C41 C42 -62.55(17) . . . . ?
C46 C41 C42 C43 -1.3(3) . . . . ?
P2 C41 C42 C43 177.21(17) . . . . ?
C41 C42 C43 C44 0.2(3) . . . . ?
C42 C43 C44 C45 0.6(4) . . . . ?
C43 C44 C45 C46 -0.3(4) . . . . ?
C44 C45 C46 C41 -0.8(3) . . . . ?
C42 C41 C46 C45 1.6(3) . . . . ?
P2 C41 C46 C45 -176.91(17) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.517
_refine_diff_density_min         -0.407
_refine_diff_density_rms         0.059
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_vic1501
_database_code_depnum_ccdc_archive 'CCDC 1417713'
_audit_update_record             
;
2015-08-08 deposited with the CCDC.
2015-11-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C29 H24 F9 O9 P2 S3 Sb'
_chemical_formula_sum            'C29 H24 F9 O9 P2 S3 Sb'
_chemical_formula_weight         967.35

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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.3718(4)
_cell_length_b                   17.5496(6)
_cell_length_c                   15.4871(5)
_cell_angle_alpha                90
_cell_angle_beta                 102.9604(15)
_cell_angle_gamma                90
_cell_volume                     3541.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9853
_cell_measurement_theta_min      3.86
_cell_measurement_theta_max      74.06

_exptl_crystal_description       fragment
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_F_000             1920
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.178
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.068
_exptl_absorpt_coefficient_mu    9.601
_shelx_estimated_absorpt_T_min   0.280
_shelx_estimated_absorpt_T_max   0.561
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.3990
_exptl_absorpt_correction_T_max  0.7029
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24895
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.863
_diffrn_reflns_theta_max         74.213
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7200
_reflns_number_gt                6370
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0637P)²+4.2404P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7200
_refine_ls_number_parameters     536
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0416
_refine_ls_wR_factor_ref         0.1119
_refine_ls_wR_factor_gt          0.1055
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb 0.37189(2) 0.43331(2) 0.32863(2) 0.02466(9) Uani 1 1 d . . . . .
S1 S 0.14799(6) 0.50751(5) 0.22061(6) 0.02784(18) Uani 1 1 d . . . . .
S2 S 0.60620(7) 0.42164(6) 0.45450(7) 0.0345(2) Uani 1 1 d . . . . .
S3A S 0.47322(17) 0.57199(10) 0.18664(15) 0.0398(5) Uani 0.6 1 d . . P A 1
S3B S 0.5183(3) 0.57501(16) 0.2264(3) 0.0472(7) Uani 0.4 1 d . . P A 2
P1 P 0.28385(6) 0.31241(5) 0.38580(5) 0.02289(17) Uani 1 1 d . . . . .
P2 P 0.38025(6) 0.33361(5) 0.20403(5) 0.02474(17) Uani 1 1 d . . . . .
F1 F 0.0172(2) 0.58938(16) 0.28057(19) 0.0538(7) Uani 1 1 d . . . . .
F2 F 0.0007(2) 0.46890(18) 0.2971(2) 0.0684(9) Uani 1 1 d . . . . .
F3 F 0.1249(3) 0.5286(2) 0.38121(18) 0.0718(10) Uani 1 1 d . . . . .
F4 F 0.7901(2) 0.44849(17) 0.4345(2) 0.0582(8) Uani 1 1 d . . . . .
F5 F 0.73898(19) 0.33384(15) 0.40269(19) 0.0497(6) Uani 1 1 d . . . . .
F6 F 0.6821(2) 0.42444(16) 0.31182(19) 0.0511(6) Uani 1 1 d . . . . .
F7A F 0.6311(8) 0.6513(6) 0.1603(7) 0.092(3) Uani 0.6 1 d . . P A 1
F8A F 0.6535(14) 0.5350(10) 0.1638(12) 0.138(8) Uani 0.6 1 d . . P A 1
F9A F 0.6583(5) 0.5919(5) 0.2865(5) 0.083(2) Uani 0.6 1 d . . P A 1
F7B F 0.6152(11) 0.6356(8) 0.1189(8) 0.061(3) Uani 0.4 1 d . . P A 2
F8B F 0.6722(13) 0.5220(10) 0.1725(8) 0.054(3) Uani 0.4 1 d . . P A 2
F9B F 0.5432(10) 0.5341(5) 0.0717(5) 0.079(3) Uani 0.4 1 d . . P A 2
O1 O 0.19855(19) 0.43401(13) 0.25255(17) 0.0291(5) Uani 1 1 d . . . . .
O2 O 0.2192(2) 0.56974(16) 0.2340(2) 0.0447(7) Uani 1 1 d . . . . .
O3 O 0.0775(2) 0.50152(17) 0.13727(18) 0.0412(6) Uani 1 1 d . . . . .
O4 O 0.51884(18) 0.38006(15) 0.39458(17) 0.0317(5) Uani 1 1 d . . . . .
O5 O 0.5905(2) 0.50223(17) 0.4545(2) 0.0465(7) Uani 1 1 d . . . . .
O6 O 0.6396(2) 0.3838(2) 0.5374(2) 0.0486(7) Uani 1 1 d . . . . .
O7 O 0.4757(3) 0.49607(17) 0.2288(2) 0.0457(7) Uani 1 1 d . . . . .
O8A O 0.4444(16) 0.6338(10) 0.2348(14) 0.095(6) Uani 0.6 1 d . . P A 1
O9A O 0.4329(10) 0.5760(6) 0.0963(6) 0.139(6) Uani 0.6 1 d . . P A 1
O8B O 0.439(3) 0.6226(16) 0.195(2) 0.095(6) Uani 0.4 1 d . . P A 2
O9B O 0.5922(14) 0.6038(8) 0.3010(8) 0.093(5) Uani 0.4 1 d . . P A 2
C1 C 0.2458(3) 0.2556(2) 0.2858(2) 0.0266(7) Uani 1 1 d . . . . .
H1A H 0.2197 0.2055 0.3003 0.032 Uiso 1 1 calc R U . . .
H1B H 0.1902 0.2818 0.2431 0.032 Uiso 1 1 calc R U . . .
C2 C 0.3387(3) 0.2442(2) 0.2444(2) 0.0283(7) Uani 1 1 d . . . . .
H2A H 0.3205 0.2077 0.1946 0.034 Uiso 1 1 calc R U . . .
H2B H 0.3960 0.2221 0.2891 0.034 Uiso 1 1 calc R U . . .
C10 C 0.0680(3) 0.5235(2) 0.2996(3) 0.0401(9) Uani 1 1 d . . . . .
C11 C 0.1718(3) 0.33269(19) 0.4278(2) 0.0260(6) Uani 1 1 d . . . . .
C12 C 0.1817(3) 0.3799(2) 0.5011(3) 0.0363(8) Uani 1 1 d . . . . .
H12 H 0.2453 0.4043 0.5252 0.044 Uiso 1 1 calc R U . . .
C13 C 0.0977(3) 0.3912(3) 0.5389(3) 0.0420(9) Uani 1 1 d . . . . .
H13 H 0.1037 0.4236 0.5890 0.050 Uiso 1 1 calc R U . . .
C14 C 0.0054(3) 0.3552(3) 0.5035(3) 0.0421(9) Uani 1 1 d . . . . .
H14 H -0.0515 0.3625 0.5299 0.051 Uiso 1 1 calc R U . . .
C15 C -0.0044(3) 0.3091(3) 0.4308(3) 0.0455(10) Uani 1 1 d . . . . .
H15 H -0.0682 0.2850 0.4068 0.055 Uiso 1 1 calc R U . . .
C16 C 0.0788(3) 0.2974(2) 0.3918(3) 0.0365(8) Uani 1 1 d . . . . .
H16 H 0.0719 0.2657 0.3411 0.044 Uiso 1 1 calc R U . . .
C20 C 0.7100(3) 0.4065(3) 0.3964(3) 0.0400(9) Uani 1 1 d . . . . .
C21 C 0.3667(3) 0.2553(2) 0.4686(2) 0.0254(7) Uani 1 1 d . . . . .
C22 C 0.4236(3) 0.2914(2) 0.5440(2) 0.0310(7) Uani 1 1 d . . . . .
H22 H 0.4239 0.3454 0.5479 0.037 Uiso 1 1 calc R U . . .
C23 C 0.4798(3) 0.2484(3) 0.6134(3) 0.0401(9) Uani 1 1 d . . . . .
H23 H 0.5177 0.2729 0.6652 0.048 Uiso 1 1 calc R U . . .
C24 C 0.4803(3) 0.1700(3) 0.6067(3) 0.0432(10) Uani 1 1 d . . . . .
H24 H 0.5186 0.1407 0.6544 0.052 Uiso 1 1 calc R U . . .
C25 C 0.4259(3) 0.1332(2) 0.5314(3) 0.0394(9) Uani 1 1 d . . . . .
H25 H 0.4283 0.0792 0.5272 0.047 Uiso 1 1 calc R U . . .
C26 C 0.3680(3) 0.1756(2) 0.4624(2) 0.0319(7) Uani 1 1 d . . . . .
H26 H 0.3293 0.1507 0.4112 0.038 Uiso 1 1 calc R U . . .
C30A C 0.6142(8) 0.5867(5) 0.2041(8) 0.058(2) Uani 0.6 1 d . . P A 1
C30B C 0.5922(9) 0.5682(7) 0.1439(9) 0.040(2) Uani 0.4 1 d . . P A 2
C31 C 0.5045(3) 0.3165(2) 0.1808(2) 0.0286(7) Uani 1 1 d . . . . .
C32 C 0.5311(3) 0.3510(3) 0.1081(3) 0.0385(9) Uani 1 1 d . . . . .
H32 H 0.4846 0.3846 0.0711 0.046 Uiso 1 1 calc R U . . .
C33 C 0.6260(4) 0.3355(3) 0.0903(3) 0.0492(11) Uani 1 1 d . . . . .
H33 H 0.6448 0.3593 0.0412 0.059 Uiso 1 1 calc R U . . .
C34 C 0.6935(4) 0.2865(3) 0.1425(3) 0.0505(11) Uani 1 1 d . . . . .
H34 H 0.7580 0.2760 0.1290 0.061 Uiso 1 1 calc R U . . .
C35 C 0.6673(3) 0.2521(3) 0.2150(3) 0.0477(11) Uani 1 1 d . . . . .
H35 H 0.7141 0.2182 0.2512 0.057 Uiso 1 1 calc R U . . .
C36 C 0.5735(3) 0.2669(2) 0.2349(3) 0.0381(8) Uani 1 1 d . . . . .
H36 H 0.5559 0.2437 0.2848 0.046 Uiso 1 1 calc R U . . .
C41 C 0.2898(3) 0.3573(2) 0.1020(2) 0.0320(7) Uani 1 1 d . . . . .
C42 C 0.2886(4) 0.4307(3) 0.0676(3) 0.0458(10) Uani 1 1 d . . . . .
H42 H 0.3332 0.4690 0.0979 0.055 Uiso 1 1 calc R U . . .
C43 C 0.2202(5) 0.4465(4) -0.0123(3) 0.0650(17) Uani 1 1 d . . . . .
H43 H 0.2191 0.4961 -0.0371 0.078 Uiso 1 1 calc R U . . .
C44 C 0.1540(4) 0.3914(4) -0.0562(3) 0.0667(17) Uani 1 1 d . . . . .
H44 H 0.1076 0.4033 -0.1106 0.080 Uiso 1 1 calc R U . . .
C45 C 0.1554(4) 0.3199(4) -0.0213(3) 0.0628(15) Uani 1 1 d . . . . .
H45 H 0.1093 0.2823 -0.0512 0.075 Uiso 1 1 calc R U . . .
C46 C 0.2235(3) 0.3018(3) 0.0574(3) 0.0456(10) Uani 1 1 d . . . . .
H46 H 0.2250 0.2517 0.0809 0.055 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 O4 2.208(2) . ?
Sb O1 2.353(3) . ?
Sb O7 2.548(3) . ?
Sb P2 2.6257(9) . ?
Sb P1 2.6718(8) . ?
S1 O3 1.421(3) . ?
S1 O2 1.433(3) . ?
S1 O1 1.489(2) . ?
S1 C10 1.819(4) . ?
S2 O6 1.425(3) . ?
S2 O5 1.430(3) . ?
S2 O4 1.507(3) . ?
S2 C20 1.835(4) . ?
S3A O9A 1.384(8) . ?
S3A O8A 1.417(10) . ?
S3A O7 1.481(3) . ?
S3A C30A 1.862(10) . ?
S3B O8B 1.35(4) . ?
S3B O9B 1.432(14) . ?
S3B O7 1.502(4) . ?
S3B C30B 1.785(13) . ?
P1 C11 1.798(3) . ?
P1 C21 1.800(3) . ?
P1 C1 1.816(3) . ?
P2 C31 1.801(4) . ?
P2 C41 1.810(4) . ?
P2 C2 1.821(4) . ?
F1 C10 1.339(5) . ?
F2 C10 1.309(5) . ?
F3 C10 1.323(5) . ?
F4 C20 1.325(5) . ?
F5 C20 1.330(5) . ?
F6 C20 1.317(5) . ?
F7A C30A 1.366(13) . ?
F8A C30A 1.28(2) . ?
F9A C30A 1.283(14) . ?
F7B C30B 1.302(17) . ?
F8B C30B 1.336(19) . ?
F9B C30B 1.308(17) . ?
C1 C2 1.533(5) . ?
C11 C12 1.387(5) . ?
C11 C16 1.389(5) . ?
C12 C13 1.393(5) . ?
C13 C14 1.386(6) . ?
C14 C15 1.368(6) . ?
C15 C16 1.396(5) . ?
C21 C22 1.395(5) . ?
C21 C26 1.403(5) . ?
C22 C23 1.387(5) . ?
C23 C24 1.381(6) . ?
C24 C25 1.387(6) . ?
C25 C26 1.387(5) . ?
C31 C32 1.393(5) . ?
C31 C36 1.402(5) . ?
C32 C33 1.385(6) . ?
C33 C34 1.371(7) . ?
C34 C35 1.388(7) . ?
C35 C36 1.382(6) . ?
C41 C46 1.392(6) . ?
C41 C42 1.392(6) . ?
C42 C43 1.391(7) . ?
C43 C44 1.382(10) . ?
C44 C45 1.365(9) . ?
C45 C46 1.386(6) . ?

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
O4 Sb O1 155.26(9) . . ?
O4 Sb O7 85.09(10) . . ?
O1 Sb O7 107.66(10) . . ?
O4 Sb P2 82.98(7) . . ?
O1 Sb P2 80.50(6) . . ?
O7 Sb P2 73.95(7) . . ?
O4 Sb P1 85.60(7) . . ?
O1 Sb P1 73.28(6) . . ?
O7 Sb P1 152.23(7) . . ?
P2 Sb P1 78.98(3) . . ?
O3 S1 O2 118.15(19) . . ?
O3 S1 O1 113.39(16) . . ?
O2 S1 O1 112.00(16) . . ?
O3 S1 C10 104.6(2) . . ?
O2 S1 C10 104.9(2) . . ?
O1 S1 C10 101.67(17) . . ?
O6 S2 O5 118.5(2) . . ?
O6 S2 O4 111.85(18) . . ?
O5 S2 O4 112.64(17) . . ?
O6 S2 C20 104.8(2) . . ?
O5 S2 C20 105.7(2) . . ?
O4 S2 C20 101.24(17) . . ?
O9A S3A O8A 113.8(12) . . ?
O9A S3A O7 117.2(4) . . ?
O8A S3A O7 116.0(10) . . ?
O9A S3A C30A 107.0(7) . . ?
O8A S3A C30A 101.7(9) . . ?
O7 S3A C30A 98.0(4) . . ?
O8B S3B O9B 114.4(12) . . ?
O8B S3B O7 107.8(13) . . ?
O9B S3B O7 120.1(6) . . ?
O8B S3B C30B 107.6(15) . . ?
O9B S3B C30B 102.0(8) . . ?
O7 S3B C30B 103.3(5) . . ?
C11 P1 C21 106.39(15) . . ?
C11 P1 C1 108.70(16) . . ?
C21 P1 C1 108.18(16) . . ?
C11 P1 Sb 115.32(11) . . ?
C21 P1 Sb 115.57(12) . . ?
C1 P1 Sb 102.30(11) . . ?
C31 P2 C41 109.23(16) . . ?
C31 P2 C2 106.93(17) . . ?
C41 P2 C2 107.58(18) . . ?
C31 P2 Sb 116.77(12) . . ?
C41 P2 Sb 111.00(12) . . ?
C2 P2 Sb 104.80(11) . . ?
S1 O1 Sb 119.60(14) . . ?
S2 O4 Sb 124.49(15) . . ?
S3A O7 Sb 134.07(19) . . ?
S3B O7 Sb 132.5(2) . . ?
C2 C1 P1 109.3(2) . . ?
C1 C2 P2 111.7(2) . . ?
F2 C10 F3 108.8(4) . . ?
F2 C10 F1 108.3(4) . . ?
F3 C10 F1 107.9(4) . . ?
F2 C10 S1 111.7(3) . . ?
F3 C10 S1 110.7(3) . . ?
F1 C10 S1 109.3(3) . . ?
C12 C11 C16 120.5(3) . . ?
C12 C11 P1 118.7(3) . . ?
C16 C11 P1 120.7(3) . . ?
C11 C12 C13 119.4(4) . . ?
C14 C13 C12 119.9(4) . . ?
C15 C14 C13 120.5(4) . . ?
C14 C15 C16 120.3(4) . . ?
C11 C16 C15 119.3(4) . . ?
F6 C20 F4 109.3(4) . . ?
F6 C20 F5 108.4(4) . . ?
F4 C20 F5 107.9(3) . . ?
F6 C20 S2 112.1(3) . . ?
F4 C20 S2 109.0(3) . . ?
F5 C20 S2 110.1(3) . . ?
C22 C21 C26 119.8(3) . . ?
C22 C21 P1 118.5(3) . . ?
C26 C21 P1 121.4(3) . . ?
C23 C22 C21 120.0(4) . . ?
C24 C23 C22 119.6(4) . . ?
C23 C24 C25 121.1(4) . . ?
C24 C25 C26 119.6(4) . . ?
C25 C26 C21 119.7(3) . . ?
F8A C30A F9A 112.8(13) . . ?
F8A C30A F7A 102.4(11) . . ?
F9A C30A F7A 110.2(9) . . ?
F8A C30A S3A 110.1(12) . . ?
F9A C30A S3A 112.2(7) . . ?
F7A C30A S3A 108.5(8) . . ?
F7B C30B F9B 105.5(10) . . ?
F7B C30B F8B 115.2(14) . . ?
F9B C30B F8B 102.5(13) . . ?
F7B C30B S3B 111.0(11) . . ?
F9B C30B S3B 113.0(9) . . ?
F8B C30B S3B 109.5(10) . . ?
C32 C31 C36 119.9(4) . . ?
C32 C31 P2 120.2(3) . . ?
C36 C31 P2 119.8(3) . . ?
C33 C32 C31 119.2(4) . . ?
C34 C33 C32 121.1(4) . . ?
C33 C34 C35 119.9(4) . . ?
C36 C35 C34 120.3(4) . . ?
C35 C36 C31 119.6(4) . . ?
C46 C41 C42 120.4(4) . . ?
C46 C41 P2 119.9(3) . . ?
C42 C41 P2 119.7(3) . . ?
C43 C42 C41 118.3(5) . . ?
C44 C43 C42 121.2(5) . . ?
C45 C44 C43 119.8(4) . . ?
C44 C45 C46 120.5(6) . . ?
C45 C46 C41 119.7(5) . . ?

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
O3 S1 O1 Sb 142.92(18) . . . . ?
O2 S1 O1 Sb 6.1(2) . . . . ?
C10 S1 O1 Sb -105.4(2) . . . . ?
O6 S2 O4 Sb 127.8(2) . . . . ?
O5 S2 O4 Sb -8.6(3) . . . . ?
C20 S2 O4 Sb -121.0(2) . . . . ?
O9A S3A O7 Sb -106.0(8) . . . . ?
O8A S3A O7 Sb 32.9(10) . . . . ?
C30A S3A O7 Sb 140.2(4) . . . . ?
O8B S3B O7 Sb -72.1(14) . . . . ?
O9B S3B O7 Sb 61.4(9) . . . . ?
C30B S3B O7 Sb 174.1(5) . . . . ?
C11 P1 C1 C2 174.7(2) . . . . ?
C21 P1 C1 C2 -70.1(3) . . . . ?
Sb P1 C1 C2 52.3(2) . . . . ?
P1 C1 C2 P2 -66.4(3) . . . . ?
C31 P2 C2 C1 167.2(2) . . . . ?
C41 P2 C2 C1 -75.5(3) . . . . ?
Sb P2 C2 C1 42.7(2) . . . . ?
O3 S1 C10 F2 57.3(3) . . . . ?
O2 S1 C10 F2 -177.7(3) . . . . ?
O1 S1 C10 F2 -60.9(3) . . . . ?
O3 S1 C10 F3 178.7(3) . . . . ?
O2 S1 C10 F3 -56.3(3) . . . . ?
O1 S1 C10 F3 60.5(3) . . . . ?
O3 S1 C10 F1 -62.6(4) . . . . ?
O2 S1 C10 F1 62.4(4) . . . . ?
O1 S1 C10 F1 179.2(3) . . . . ?
C21 P1 C11 C12 67.9(3) . . . . ?
C1 P1 C11 C12 -175.8(3) . . . . ?
Sb P1 C11 C12 -61.6(3) . . . . ?
C21 P1 C11 C16 -107.4(3) . . . . ?
C1 P1 C11 C16 8.9(4) . . . . ?
Sb P1 C11 C16 123.0(3) . . . . ?
C16 C11 C12 C13 0.6(6) . . . . ?
P1 C11 C12 C13 -174.8(3) . . . . ?
C11 C12 C13 C14 0.3(7) . . . . ?
C12 C13 C14 C15 -0.8(7) . . . . ?
C13 C14 C15 C16 0.5(7) . . . . ?
C12 C11 C16 C15 -0.9(6) . . . . ?
P1 C11 C16 C15 174.4(3) . . . . ?
C14 C15 C16 C11 0.4(7) . . . . ?
O6 S2 C20 F6 167.0(3) . . . . ?
O5 S2 C20 F6 -67.1(3) . . . . ?
O4 S2 C20 F6 50.6(3) . . . . ?
O6 S2 C20 F4 -71.9(4) . . . . ?
O5 S2 C20 F4 54.1(4) . . . . ?
O4 S2 C20 F4 171.7(3) . . . . ?
O6 S2 C20 F5 46.3(3) . . . . ?
O5 S2 C20 F5 172.2(3) . . . . ?
O4 S2 C20 F5 -70.1(3) . . . . ?
C11 P1 C21 C22 -77.3(3) . . . . ?
C1 P1 C21 C22 166.0(3) . . . . ?
Sb P1 C21 C22 52.1(3) . . . . ?
C11 P1 C21 C26 96.9(3) . . . . ?
C1 P1 C21 C26 -19.7(3) . . . . ?
Sb P1 C21 C26 -133.6(3) . . . . ?
C26 C21 C22 C23 -1.2(6) . . . . ?
P1 C21 C22 C23 173.2(3) . . . . ?
C21 C22 C23 C24 1.1(6) . . . . ?
C22 C23 C24 C25 0.3(7) . . . . ?
C23 C24 C25 C26 -1.5(7) . . . . ?
C24 C25 C26 C21 1.3(6) . . . . ?
C22 C21 C26 C25 0.0(6) . . . . ?
P1 C21 C26 C25 -174.2(3) . . . . ?
O9A S3A C30A F8A -60.1(12) . . . . ?
O8A S3A C30A F8A -179.6(14) . . . . ?
O7 S3A C30A F8A 61.6(11) . . . . ?
O9A S3A C30A F9A 173.3(8) . . . . ?
O8A S3A C30A F9A 53.8(13) . . . . ?
O7 S3A C30A F9A -65.0(7) . . . . ?
O9A S3A C30A F7A 51.3(10) . . . . ?
O8A S3A C30A F7A -68.3(14) . . . . ?
O7 S3A C30A F7A 173.0(8) . . . . ?
O8B S3B C30B F7B 51.3(16) . . . . ?
O9B S3B C30B F7B -69.5(12) . . . . ?
O7 S3B C30B F7B 165.2(10) . . . . ?
O8B S3B C30B F9B -67.0(15) . . . . ?
O9B S3B C30B F9B 172.2(10) . . . . ?
O7 S3B C30B F9B 46.9(9) . . . . ?
O8B S3B C30B F8B 179.5(16) . . . . ?
O9B S3B C30B F8B 58.7(14) . . . . ?
O7 S3B C30B F8B -66.6(13) . . . . ?
C41 P2 C31 C32 26.5(4) . . . . ?
C2 P2 C31 C32 142.7(3) . . . . ?
Sb P2 C31 C32 -100.4(3) . . . . ?
C41 P2 C31 C36 -151.8(3) . . . . ?
C2 P2 C31 C36 -35.7(4) . . . . ?
Sb P2 C31 C36 81.2(3) . . . . ?
C36 C31 C32 C33 -0.1(6) . . . . ?
P2 C31 C32 C33 -178.4(3) . . . . ?
C31 C32 C33 C34 0.7(7) . . . . ?
C32 C33 C34 C35 -0.8(7) . . . . ?
C33 C34 C35 C36 0.1(7) . . . . ?
C34 C35 C36 C31 0.5(7) . . . . ?
C32 C31 C36 C35 -0.5(6) . . . . ?
P2 C31 C36 C35 177.8(3) . . . . ?
C31 P2 C41 C46 99.4(3) . . . . ?
C2 P2 C41 C46 -16.3(4) . . . . ?
Sb P2 C41 C46 -130.5(3) . . . . ?
C31 P2 C41 C42 -79.2(4) . . . . ?
C2 P2 C41 C42 165.0(3) . . . . ?
Sb P2 C41 C42 50.9(3) . . . . ?
C46 C41 C42 C43 -0.5(6) . . . . ?
P2 C41 C42 C43 178.1(3) . . . . ?
C41 C42 C43 C44 0.9(7) . . . . ?
C42 C43 C44 C45 -0.3(8) . . . . ?
C43 C44 C45 C46 -0.7(8) . . . . ?
C44 C45 C46 C41 1.1(8) . . . . ?
C42 C41 C46 C45 -0.5(7) . . . . ?
P2 C41 C46 C45 -179.1(4) . . . . ?

_refine_diff_density_max         1.686
_refine_diff_density_min         -1.542
_refine_diff_density_rms         0.121

