# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_i

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            none
_chemical_melting_point          none
_chemical_formula_moiety         'C24 H17 O2 Sb'
_chemical_formula_sum            'C24 H17 O2 Sb'
_chemical_formula_weight         459.13

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'
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   P2(1)/c

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

_cell_length_a                   9.8268(8)
_cell_length_b                   14.9773(12)
_cell_length_c                   13.5372(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 111.2550(10)
_cell_angle_gamma                90.00
_cell_volume                     1856.9(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    9953
_cell_measurement_theta_min      2.61
_cell_measurement_theta_max      29.63

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.34
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             912
_exptl_absorpt_coefficient_mu    1.502
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3617
_exptl_absorpt_correction_T_max  0.6292
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      110(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23397
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0204
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.11
_diffrn_reflns_theta_max         29.67
_reflns_number_total             4996
_reflns_number_gt                4666
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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)+(0.0201P)²+1.1008P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4996
_refine_ls_number_parameters     244
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0223
_refine_ls_R_factor_gt           0.0200
_refine_ls_wR_factor_ref         0.0490
_refine_ls_wR_factor_gt          0.0482
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_restrained_S_all      1.128
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.044161(10) 0.220326(7) 0.829665(8) 0.01116(4) Uani 1 1 d . . .
O1 O -0.08449(14) 0.23031(8) 0.67497(9) 0.0179(2) Uani 1 1 d . . .
O2 O -0.15313(13) 0.24033(9) 0.84472(10) 0.0206(3) Uani 1 1 d . . .
C1 C 0.13106(17) 0.34925(10) 0.87028(12) 0.0135(3) Uani 1 1 d . . .
C2 C 0.27429(18) 0.36535(11) 0.87706(12) 0.0155(3) Uani 1 1 d . . .
H2 H 0.3325 0.3179 0.8674 0.019 Uiso 1 1 calc R . .
C3 C 0.3310(2) 0.45136(12) 0.89812(13) 0.0205(3) Uani 1 1 d . . .
H3 H 0.4289 0.4625 0.9042 0.025 Uiso 1 1 calc R . .
C4 C 0.2453(2) 0.52074(12) 0.91016(14) 0.0248(4) Uani 1 1 d . . .
H4 H 0.2841 0.5795 0.9234 0.030 Uiso 1 1 calc R . .
C5 C 0.1022(2) 0.50475(12) 0.90300(14) 0.0243(4) Uani 1 1 d . . .
H5 H 0.0438 0.5526 0.9114 0.029 Uiso 1 1 calc R . .
C6 C 0.04479(19) 0.41887(12) 0.88365(13) 0.0192(3) Uani 1 1 d . . .
H6 H -0.0523 0.4077 0.8796 0.023 Uiso 1 1 calc R . .
C7 C 0.19149(17) 0.14568(10) 0.78001(12) 0.0132(3) Uani 1 1 d . . .
C8 C 0.22657(18) 0.15763(11) 0.68989(13) 0.0170(3) Uani 1 1 d . . .
H8 H 0.1868 0.2065 0.6436 0.020 Uiso 1 1 calc R . .
C9 C 0.31998(19) 0.09769(12) 0.66816(14) 0.0202(3) Uani 1 1 d . . .
H9 H 0.3456 0.1057 0.6075 0.024 Uiso 1 1 calc R . .
C10 C 0.3756(2) 0.02588(12) 0.73604(15) 0.0221(4) Uani 1 1 d . . .
H10 H 0.4384 -0.0156 0.7207 0.026 Uiso 1 1 calc R . .
C11 C 0.34087(19) 0.01370(11) 0.82592(14) 0.0184(3) Uani 1 1 d . . .
H11 H 0.3795 -0.0359 0.8712 0.022 Uiso 1 1 calc R . .
C12 C 0.24926(16) 0.07428(10) 0.84979(12) 0.0125(3) Uani 1 1 d . . .
C13 C 0.20791(16) 0.06700(10) 0.94531(12) 0.0121(3) Uani 1 1 d . . .
C14 C 0.26573(18) 0.00247(11) 1.02395(13) 0.0158(3) Uani 1 1 d . . .
H14 H 0.3362 -0.0388 1.0187 0.019 Uiso 1 1 calc R . .
C15 C 0.22011(19) -0.00129(11) 1.11004(13) 0.0175(3) Uani 1 1 d . . .
H15 H 0.2598 -0.0454 1.1632 0.021 Uiso 1 1 calc R . .
C16 C 0.11706(18) 0.05875(11) 1.11919(12) 0.0165(3) Uani 1 1 d . . .
H16 H 0.0859 0.0551 1.1778 0.020 Uiso 1 1 calc R . .
C17 C 0.05988(17) 0.12414(11) 1.04212(12) 0.0147(3) Uani 1 1 d . . .
H17 H -0.0098 0.1657 1.0480 0.018 Uiso 1 1 calc R . .
C18 C 0.10608(17) 0.12787(10) 0.95636(12) 0.0126(3) Uani 1 1 d . . .
C19 C -0.22374(18) 0.25503(11) 0.65971(14) 0.0174(3) Uani 1 1 d . . .
C20 C -0.26122(18) 0.25933(11) 0.75035(14) 0.0183(3) Uani 1 1 d . . .
C21 C -0.4025(2) 0.28099(12) 0.74098(17) 0.0255(4) Uani 1 1 d . . .
H21 H -0.4289 0.2832 0.8019 0.031 Uiso 1 1 calc R . .
C22 C -0.5059(2) 0.29956(12) 0.64030(18) 0.0279(4) Uani 1 1 d . . .
H22 H -0.6029 0.3148 0.6330 0.033 Uiso 1 1 calc R . .
C23 C -0.4682(2) 0.29591(12) 0.55152(16) 0.0265(4) Uani 1 1 d . . .
H23 H -0.5395 0.3090 0.4839 0.032 Uiso 1 1 calc R . .
C24 C -0.3258(2) 0.27308(11) 0.55980(15) 0.0227(4) Uani 1 1 d . . .
H24 H -0.3001 0.2701 0.4987 0.027 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
Sb1 O1 2.0215(12) . ?
Sb1 O2 2.0437(12) . ?
Sb1 C1 2.1023(16) . ?
Sb1 C18 2.1148(15) . ?
Sb1 C7 2.1221(16) . ?
O1 C19 1.359(2) . ?
O2 C20 1.363(2) . ?
C1 C6 1.396(2) . ?
C1 C2 1.398(2) . ?
C2 C3 1.391(2) . ?
C3 C4 1.384(3) . ?
C4 C5 1.395(3) . ?
C5 C6 1.391(3) . ?
C7 C8 1.394(2) . ?
C7 C12 1.403(2) . ?
C8 C9 1.390(2) . ?
C9 C10 1.391(3) . ?
C10 C11 1.390(2) . ?
C11 C12 1.396(2) . ?
C12 C13 1.493(2) . ?
C13 C18 1.401(2) . ?
C13 C14 1.397(2) . ?
C14 C15 1.393(2) . ?
C15 C16 1.393(2) . ?
C16 C17 1.392(2) . ?
C17 C18 1.393(2) . ?
C19 C24 1.387(2) . ?
C19 C20 1.405(3) . ?
C20 C21 1.386(2) . ?
C21 C22 1.401(3) . ?
C22 C23 1.381(3) . ?
C23 C24 1.405(3) . ?

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 Sb1 O2 80.38(5) . . ?
O1 Sb1 C1 104.19(5) . . ?
O2 Sb1 C1 98.59(6) . . ?
O1 Sb1 C18 140.95(5) . . ?
O2 Sb1 C18 91.12(5) . . ?
C1 Sb1 C18 114.78(6) . . ?
O1 Sb1 C7 87.31(5) . . ?
O2 Sb1 C7 152.83(6) . . ?
C1 Sb1 C7 107.92(6) . . ?
C18 Sb1 C7 83.29(6) . . ?
C19 O1 Sb1 113.25(10) . . ?
C20 O2 Sb1 112.47(11) . . ?
C6 C1 C2 120.45(15) . . ?
C6 C1 Sb1 120.77(12) . . ?
C2 C1 Sb1 118.65(12) . . ?
C3 C2 C1 119.49(16) . . ?
C4 C3 C2 120.22(17) . . ?
C3 C4 C5 120.29(16) . . ?
C6 C5 C4 120.11(17) . . ?
C5 C6 C1 119.42(17) . . ?
C8 C7 C12 121.25(15) . . ?
C8 C7 Sb1 128.53(12) . . ?
C12 C7 Sb1 110.14(11) . . ?
C9 C8 C7 119.61(15) . . ?
C8 C9 C10 119.41(16) . . ?
C11 C10 C9 121.16(16) . . ?
C10 C11 C12 120.07(16) . . ?
C11 C12 C7 118.48(15) . . ?
C11 C12 C13 123.62(14) . . ?
C7 C12 C13 117.90(14) . . ?
C18 C13 C14 118.54(14) . . ?
C18 C13 C12 118.28(14) . . ?
C14 C13 C12 123.18(14) . . ?
C13 C14 C15 120.01(15) . . ?
C16 C15 C14 120.86(15) . . ?
C17 C16 C15 119.77(15) . . ?
C18 C17 C16 119.20(15) . . ?
C17 C18 C13 121.61(14) . . ?
C17 C18 Sb1 128.13(12) . . ?
C13 C18 Sb1 110.25(11) . . ?
O1 C19 C24 122.24(17) . . ?
O1 C19 C20 116.62(15) . . ?
C24 C19 C20 121.12(17) . . ?
O2 C20 C21 123.30(17) . . ?
O2 C20 C19 116.57(15) . . ?
C21 C20 C19 120.13(17) . . ?
C20 C21 C22 119.0(2) . . ?
C23 C22 C21 120.64(18) . . ?
C22 C23 C24 120.94(17) . . ?
C19 C24 C23 118.19(19) . . ?

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
O2 Sb1 O1 C19 7.54(11) . . . . ?
C1 Sb1 O1 C19 -88.97(11) . . . . ?
C18 Sb1 O1 C19 87.32(13) . . . . ?
C7 Sb1 O1 C19 163.22(11) . . . . ?
O1 Sb1 O2 C20 -6.71(11) . . . . ?
C1 Sb1 O2 C20 96.35(12) . . . . ?
C18 Sb1 O2 C20 -148.38(12) . . . . ?
C7 Sb1 O2 C20 -70.96(17) . . . . ?
O1 Sb1 C1 C6 74.15(13) . . . . ?
O2 Sb1 C1 C6 -8.02(13) . . . . ?
C18 Sb1 C1 C6 -103.27(13) . . . . ?
C7 Sb1 C1 C6 165.93(12) . . . . ?
O1 Sb1 C1 C2 -101.83(12) . . . . ?
O2 Sb1 C1 C2 176.00(12) . . . . ?
C18 Sb1 C1 C2 80.75(13) . . . . ?
C7 Sb1 C1 C2 -10.06(13) . . . . ?
C6 C1 C2 C3 0.5(2) . . . . ?
Sb1 C1 C2 C3 176.50(12) . . . . ?
C1 C2 C3 C4 -1.3(2) . . . . ?
C2 C3 C4 C5 1.0(3) . . . . ?
C3 C4 C5 C6 0.0(3) . . . . ?
C4 C5 C6 C1 -0.7(3) . . . . ?
C2 C1 C6 C5 0.5(2) . . . . ?
Sb1 C1 C6 C5 -175.41(13) . . . . ?
O1 Sb1 C7 C8 36.69(15) . . . . ?
O2 Sb1 C7 C8 99.44(17) . . . . ?
C1 Sb1 C7 C8 -67.36(15) . . . . ?
C18 Sb1 C7 C8 178.72(15) . . . . ?
O1 Sb1 C7 C12 -139.98(11) . . . . ?
O2 Sb1 C7 C12 -77.23(16) . . . . ?
C1 Sb1 C7 C12 115.97(11) . . . . ?
C18 Sb1 C7 C12 2.04(11) . . . . ?
C12 C7 C8 C9 0.3(2) . . . . ?
Sb1 C7 C8 C9 -176.08(13) . . . . ?
C7 C8 C9 C10 0.9(3) . . . . ?
C8 C9 C10 C11 -0.8(3) . . . . ?
C9 C10 C11 C12 -0.3(3) . . . . ?
C10 C11 C12 C7 1.4(2) . . . . ?
C10 C11 C12 C13 -179.17(16) . . . . ?
C8 C7 C12 C11 -1.4(2) . . . . ?
Sb1 C7 C12 C11 175.57(12) . . . . ?
C8 C7 C12 C13 179.14(14) . . . . ?
Sb1 C7 C12 C13 -3.90(17) . . . . ?
C11 C12 C13 C18 -175.06(15) . . . . ?
C7 C12 C13 C18 4.4(2) . . . . ?
C11 C12 C13 C14 4.9(2) . . . . ?
C7 C12 C13 C14 -175.67(15) . . . . ?
C18 C13 C14 C15 1.1(2) . . . . ?
C12 C13 C14 C15 -178.88(15) . . . . ?
C13 C14 C15 C16 -0.1(2) . . . . ?
C14 C15 C16 C17 -0.8(2) . . . . ?
C15 C16 C17 C18 0.5(2) . . . . ?
C16 C17 C18 C13 0.5(2) . . . . ?
C16 C17 C18 Sb1 -178.36(11) . . . . ?
C14 C13 C18 C17 -1.3(2) . . . . ?
C12 C13 C18 C17 178.66(14) . . . . ?
C14 C13 C18 Sb1 177.74(11) . . . . ?
C12 C13 C18 Sb1 -2.30(17) . . . . ?
O1 Sb1 C18 C17 -103.61(15) . . . . ?
O2 Sb1 C18 C17 -27.57(14) . . . . ?
C1 Sb1 C18 C17 72.42(15) . . . . ?
C7 Sb1 C18 C17 179.09(15) . . . . ?
O1 Sb1 C18 C13 77.43(14) . . . . ?
O2 Sb1 C18 C13 153.47(11) . . . . ?
C1 Sb1 C18 C13 -106.53(11) . . . . ?
C7 Sb1 C18 C13 0.14(11) . . . . ?
Sb1 O1 C19 C24 174.34(13) . . . . ?
Sb1 O1 C19 C20 -7.25(18) . . . . ?
Sb1 O2 C20 C21 -175.84(14) . . . . ?
Sb1 O2 C20 C19 4.92(19) . . . . ?
O1 C19 C20 O2 1.5(2) . . . . ?
C24 C19 C20 O2 179.94(15) . . . . ?
O1 C19 C20 C21 -177.76(15) . . . . ?
C24 C19 C20 C21 0.7(3) . . . . ?
O2 C20 C21 C22 179.92(16) . . . . ?
C19 C20 C21 C22 -0.9(3) . . . . ?
C20 C21 C22 C23 0.4(3) . . . . ?
C21 C22 C23 C24 0.4(3) . . . . ?
O1 C19 C24 C23 178.38(15) . . . . ?
C20 C19 C24 C23 0.0(2) . . . . ?
C22 C23 C24 C19 -0.6(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.952
_diffrn_reflns_theta_full        29.67
_diffrn_measured_fraction_theta_full 0.952
_refine_diff_density_max         0.453
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.095
_database_code_depnum_ccdc_archive 'CCDC 984280'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_i

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            none
_chemical_melting_point          none
_chemical_formula_moiety         'C24 H13 Cl4 F O2 Sb, C6 H18 N3 S'
_chemical_formula_sum            'C30 H31 Cl4 F N3 O2 S Sb'
_chemical_formula_weight         780.19

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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   P2(1)/c

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

_cell_length_a                   10.0011(8)
_cell_length_b                   21.4018(18)
_cell_length_c                   16.9437(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 122.404(3)
_cell_angle_gamma                90.00
_cell_volume                     3061.9(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    9957
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      28.24

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1568
_exptl_absorpt_coefficient_mu    1.359
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7021
_exptl_absorpt_correction_T_max  0.7542
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      110(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            38078
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0227
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.71
_diffrn_reflns_theta_max         28.36
_reflns_number_total             7649
_reflns_number_gt                6529
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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)+(0.0933P)²+24.3451P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7649
_refine_ls_number_parameters     385
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0800
_refine_ls_R_factor_gt           0.0693
_refine_ls_wR_factor_ref         0.1988
_refine_ls_wR_factor_gt          0.1890
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb -0.32137(4) -0.191419(18) -0.80582(2) 0.02766(14) Uani 1 1 d . . .
Cl1 Cl -0.2806(7) -0.0354(2) -0.5789(4) 0.159(2) Uani 1 1 d . . .
Cl2 Cl -0.5453(6) 0.05747(16) -0.6661(5) 0.149(2) Uani 1 1 d . . .
Cl3 Cl -0.7805(4) 0.05534(14) -0.8712(3) 0.0954(10) Uani 1 1 d . . .
Cl4 Cl -0.7551(3) -0.04109(12) -0.98861(16) 0.0675(6) Uani 1 1 d . . .
S1 S 0.16710(18) -0.08624(8) -0.31925(10) 0.0363(3) Uani 1 1 d . . .
F1 F -0.4783(4) -0.22374(18) -0.7794(2) 0.0366(8) Uani 1 1 d . . .
O1 O -0.2892(5) -0.1225(2) -0.7085(3) 0.0376(10) Uani 1 1 d . . .
O2 O -0.4930(5) -0.1263(2) -0.8920(3) 0.0323(9) Uani 1 1 d . . .
N1 N 0.0290(9) -0.0606(4) -0.3063(6) 0.070(2) Uani 1 1 d . . .
N2 N 0.2731(7) -0.1267(3) -0.2199(4) 0.0418(13) Uani 1 1 d . . .
N3 N 0.1140(11) -0.1418(4) -0.3934(5) 0.074(3) Uani 1 1 d . . .
C1 C -0.4038(7) -0.2557(3) -0.9187(4) 0.0329(12) Uani 1 1 d . . .
C2 C -0.3609(10) -0.2502(4) -0.9837(5) 0.0511(18) Uani 1 1 d . . .
H2 H -0.3038 -0.2144 -0.9827 0.061 Uiso 1 1 calc R . .
C3 C -0.4009(12) -0.2970(5) -1.0512(6) 0.063(2) Uani 1 1 d . . .
H3 H -0.3720 -0.2922 -1.0959 0.076 Uiso 1 1 calc R . .
C4 C -0.4792(10) -0.3480(5) -1.0528(6) 0.064(3) Uani 1 1 d . . .
H4 H -0.5033 -0.3797 -1.0979 0.077 Uiso 1 1 calc R . .
C5 C -0.5251(13) -0.3553(5) -0.9902(8) 0.081(3) Uani 1 1 d . . .
H5 H -0.5814 -0.3915 -0.9918 0.097 Uiso 1 1 calc R . .
C6 C -0.4879(11) -0.3085(4) -0.9239(6) 0.059(2) Uani 1 1 d . . .
H6 H -0.5213 -0.3131 -0.8813 0.071 Uiso 1 1 calc R . .
C7 C -0.1307(7) -0.2427(3) -0.6951(4) 0.0320(12) Uani 1 1 d . . .
C8 C -0.1378(7) -0.2862(3) -0.6369(4) 0.0372(13) Uani 1 1 d . . .
H8 H -0.2366 -0.2966 -0.6446 0.045 Uiso 1 1 calc R . .
C9 C 0.0022(9) -0.3149(3) -0.5665(5) 0.0445(16) Uani 1 1 d . . .
H9 H -0.0008 -0.3445 -0.5257 0.053 Uiso 1 1 calc R . .
C10 C 0.1462(8) -0.2995(3) -0.5568(5) 0.0441(16) Uani 1 1 d . . .
H10 H 0.2413 -0.3187 -0.5090 0.053 Uiso 1 1 calc R . .
C11 C 0.1518(7) -0.2566(3) -0.6163(4) 0.0391(14) Uani 1 1 d . . .
H11 H 0.2501 -0.2469 -0.6096 0.047 Uiso 1 1 calc R . .
C12 C 0.0133(7) -0.2275(3) -0.6859(4) 0.0321(12) Uani 1 1 d . . .
C13 C 0.0107(7) -0.1792(3) -0.7512(4) 0.0324(12) Uani 1 1 d . . .
C14 C 0.1459(7) -0.1621(4) -0.7509(5) 0.0410(14) Uani 1 1 d . . .
H14 H 0.2446 -0.1816 -0.7088 0.049 Uiso 1 1 calc R . .
C15 C 0.1359(9) -0.1168(4) -0.8116(5) 0.0481(17) Uani 1 1 d . . .
H15 H 0.2285 -0.1052 -0.8107 0.058 Uiso 1 1 calc R . .
C16 C -0.0063(9) -0.0877(3) -0.8739(5) 0.0438(15) Uani 1 1 d . . .
H16 H -0.0109 -0.0563 -0.9149 0.053 Uiso 1 1 calc R . .
C17 C -0.1416(7) -0.1047(3) -0.8760(4) 0.0366(13) Uani 1 1 d . . .
H17 H -0.2395 -0.0849 -0.9189 0.044 Uiso 1 1 calc R . .
C18 C -0.1356(7) -0.1505(3) -0.8158(4) 0.0329(12) Uani 1 1 d . . .
C19 C -0.4009(7) -0.0803(3) -0.7452(4) 0.0334(12) Uani 1 1 d . . .
C20 C -0.4182(9) -0.0337(3) -0.6939(5) 0.0457(17) Uani 1 1 d . . .
C21 C -0.5407(10) 0.0092(4) -0.7363(7) 0.056(2) Uani 1 1 d . . .
C22 C -0.6469(9) 0.0073(3) -0.8302(7) 0.052(2) Uani 1 1 d . . .
C23 C -0.6322(7) -0.0383(3) -0.8841(5) 0.0372(13) Uani 1 1 d . . .
C24 C -0.5116(7) -0.0820(3) -0.8436(4) 0.0310(11) Uani 1 1 d . . .
C25 C -0.0287(14) 0.0025(5) -0.3411(7) 0.069(2) Uani 1 1 d . . .
H25A H 0.0483 0.0246 -0.3499 0.104 Uiso 1 1 calc R . .
H25B H -0.0426 0.0252 -0.2957 0.104 Uiso 1 1 calc R . .
H25C H -0.1304 0.0001 -0.4009 0.104 Uiso 1 1 calc R . .
C26 C -0.0662(13) -0.0998(7) -0.2835(10) 0.110(5) Uani 1 1 d . . .
H26A H -0.0833 -0.0778 -0.2390 0.164 Uiso 1 1 calc R . .
H26B H -0.0103 -0.1391 -0.2557 0.164 Uiso 1 1 calc R . .
H26C H -0.1686 -0.1087 -0.3407 0.164 Uiso 1 1 calc R . .
C27 C 0.3302(12) -0.0876(5) -0.1374(6) 0.070(3) Uani 1 1 d . . .
H27A H 0.4027 -0.0559 -0.1354 0.105 Uiso 1 1 calc R . .
H27B H 0.3860 -0.1136 -0.0811 0.105 Uiso 1 1 calc R . .
H27C H 0.2401 -0.0670 -0.1403 0.105 Uiso 1 1 calc R . .
C28 C 0.4000(12) -0.1625(6) -0.2162(8) 0.080(3) Uani 1 1 d . . .
H28A H 0.3564 -0.1886 -0.2724 0.120 Uiso 1 1 calc R . .
H28B H 0.4501 -0.1893 -0.1606 0.120 Uiso 1 1 calc R . .
H28C H 0.4790 -0.1339 -0.2133 0.120 Uiso 1 1 calc R . .
C29 C 0.0831(14) -0.1270(5) -0.4849(6) 0.073(3) Uani 1 1 d . . .
H29A H 0.1200 -0.1615 -0.5067 0.110 Uiso 1 1 calc R . .
H29B H 0.1393 -0.0886 -0.4815 0.110 Uiso 1 1 calc R . .
H29C H -0.0310 -0.1211 -0.5286 0.110 Uiso 1 1 calc R . .
C30 C 0.056(3) -0.2029(6) -0.3848(10) 0.142(8) Uani 1 1 d . . .
H30A H -0.0601 -0.2039 -0.4252 0.214 Uiso 1 1 calc R . .
H30B H 0.0876 -0.2095 -0.3198 0.214 Uiso 1 1 calc R . .
H30C H 0.1007 -0.2359 -0.4038 0.214 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
Sb1 F1 1.973(4) . ?
Sb1 O2 2.082(4) . ?
Sb1 O1 2.105(4) . ?
Sb1 C7 2.128(6) . ?
Sb1 C1 2.131(6) . ?
Sb1 C18 2.141(6) . ?
Cl1 C20 1.678(10) . ?
Cl2 C21 1.594(7) . ?
Cl3 C22 1.527(8) . ?
Cl4 C23 1.522(7) . ?
S1 N3 1.599(7) . ?
S1 N1 1.606(7) . ?
S1 N2 1.672(6) . ?
O1 C19 1.306(8) . ?
O2 C24 1.332(7) . ?
N1 C25 1.464(12) . ?
N1 C26 1.468(12) . ?
N2 C28 1.455(11) . ?
N2 C27 1.459(10) . ?
N3 C29 1.445(10) . ?
N3 C30 1.470(12) . ?
C1 C6 1.382(11) . ?
C1 C2 1.385(9) . ?
C2 C3 1.407(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.336(15) . ?
C3 H3 0.9500 . ?
C4 C5 1.373(15) . ?
C4 H4 0.9500 . ?
C5 C6 1.397(10) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.385(9) . ?
C7 C12 1.402(8) . ?
C8 C9 1.404(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.400(11) . ?
C9 H9 0.9500 . ?
C10 C11 1.386(10) . ?
C10 H10 0.9500 . ?
C11 C12 1.395(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.503(9) . ?
C13 C14 1.398(9) . ?
C13 C18 1.415(8) . ?
C14 C15 1.378(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.384(10) . ?
C15 H15 0.9500 . ?
C16 C17 1.383(10) . ?
C16 H16 0.9500 . ?
C17 C18 1.393(9) . ?
C17 H17 0.9500 . ?
C19 C20 1.393(8) . ?
C19 C24 1.424(8) . ?
C20 C21 1.385(13) . ?
C21 C22 1.361(13) . ?
C22 C23 1.398(9) . ?
C23 C24 1.382(9) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?

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
F1 Sb1 O2 86.39(17) . . ?
F1 Sb1 O1 82.77(16) . . ?
O2 Sb1 O1 78.65(16) . . ?
F1 Sb1 C7 93.7(2) . . ?
O2 Sb1 C7 167.51(19) . . ?
O1 Sb1 C7 89.0(2) . . ?
F1 Sb1 C1 90.3(2) . . ?
O2 Sb1 C1 91.47(19) . . ?
O1 Sb1 C1 168.21(19) . . ?
C7 Sb1 C1 101.0(2) . . ?
F1 Sb1 C18 172.11(18) . . ?
O2 Sb1 C18 95.5(2) . . ?
O1 Sb1 C18 90.1(2) . . ?
C7 Sb1 C18 82.8(2) . . ?
C1 Sb1 C18 97.3(2) . . ?
N3 S1 N1 114.4(5) . . ?
N3 S1 N2 99.8(4) . . ?
N1 S1 N2 99.6(3) . . ?
C19 O1 Sb1 112.2(3) . . ?
C24 O2 Sb1 112.3(4) . . ?
C25 N1 C26 117.5(8) . . ?
C25 N1 S1 116.3(6) . . ?
C26 N1 S1 124.6(8) . . ?
C28 N2 C27 112.2(8) . . ?
C28 N2 S1 112.6(5) . . ?
C27 N2 S1 112.2(6) . . ?
C29 N3 C30 115.6(8) . . ?
C29 N3 S1 118.1(6) . . ?
C30 N3 S1 124.5(7) . . ?
C6 C1 C2 117.1(6) . . ?
C6 C1 Sb1 121.0(5) . . ?
C2 C1 Sb1 121.5(5) . . ?
C1 C2 C3 120.8(8) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
C4 C3 C2 120.5(8) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 120.8(8) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C4 C5 C6 119.0(10) . . ?
C4 C5 H5 120.5 . . ?
C6 C5 H5 120.5 . . ?
C1 C6 C5 121.9(8) . . ?
C1 C6 H6 119.0 . . ?
C5 C6 H6 119.0 . . ?
C8 C7 C12 121.3(5) . . ?
C8 C7 Sb1 127.7(5) . . ?
C12 C7 Sb1 111.1(4) . . ?
C7 C8 C9 119.4(6) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C10 C9 C8 119.4(6) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C11 C10 C9 120.7(6) . . ?
C11 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
C10 C11 C12 120.1(6) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C7 119.0(6) . . ?
C11 C12 C13 123.1(6) . . ?
C7 C12 C13 117.8(5) . . ?
C14 C13 C18 119.1(6) . . ?
C14 C13 C12 122.9(6) . . ?
C18 C13 C12 118.1(5) . . ?
C15 C14 C13 119.9(6) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 121.3(7) . . ?
C14 C15 H15 119.3 . . ?
C16 C15 H15 119.3 . . ?
C17 C16 C15 119.5(6) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C16 C17 C18 120.5(6) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C17 C18 C13 119.6(6) . . ?
C17 C18 Sb1 130.3(4) . . ?
C13 C18 Sb1 110.0(4) . . ?
O1 C19 C20 123.9(6) . . ?
O1 C19 C24 118.1(5) . . ?
C20 C19 C24 118.0(6) . . ?
C21 C20 C19 121.5(7) . . ?
C21 C20 Cl1 124.3(5) . . ?
C19 C20 Cl1 114.2(6) . . ?
C22 C21 C20 120.4(6) . . ?
C22 C21 Cl2 125.1(7) . . ?
C20 C21 Cl2 114.5(7) . . ?
C21 C22 C23 119.8(7) . . ?
C21 C22 Cl3 117.1(6) . . ?
C23 C22 Cl3 123.1(7) . . ?
C24 C23 C22 121.1(7) . . ?
C24 C23 Cl4 119.9(5) . . ?
C22 C23 Cl4 119.0(6) . . ?
O2 C24 C23 123.2(5) . . ?
O2 C24 C19 117.5(5) . . ?
C23 C24 C19 119.3(5) . . ?
N1 C25 H25A 109.5 . . ?
N1 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N1 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N1 C26 H26A 109.5 . . ?
N1 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N1 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N2 C27 H27A 109.5 . . ?
N2 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N2 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N2 C28 H28A 109.5 . . ?
N2 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N2 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N3 C29 H29A 109.5 . . ?
N3 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N3 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N3 C30 H30A 109.5 . . ?
N3 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N3 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?

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
F1 Sb1 O1 C19 -78.5(4) . . . . ?
O2 Sb1 O1 C19 9.3(4) . . . . ?
C7 Sb1 O1 C19 -172.4(4) . . . . ?
C1 Sb1 O1 C19 -24.2(12) . . . . ?
C18 Sb1 O1 C19 104.8(4) . . . . ?
F1 Sb1 O2 C24 73.8(4) . . . . ?
O1 Sb1 O2 C24 -9.5(4) . . . . ?
C7 Sb1 O2 C24 -17.0(11) . . . . ?
C1 Sb1 O2 C24 164.0(4) . . . . ?
C18 Sb1 O2 C24 -98.5(4) . . . . ?
N3 S1 N1 C25 -111.1(8) . . . . ?
N2 S1 N1 C25 143.5(8) . . . . ?
N3 S1 N1 C26 53.9(11) . . . . ?
N2 S1 N1 C26 -51.5(11) . . . . ?
N3 S1 N2 C28 56.1(8) . . . . ?
N1 S1 N2 C28 173.1(7) . . . . ?
N3 S1 N2 C27 -176.2(6) . . . . ?
N1 S1 N2 C27 -59.2(7) . . . . ?
N1 S1 N3 C29 102.4(9) . . . . ?
N2 S1 N3 C29 -152.2(9) . . . . ?
N1 S1 N3 C30 -61.4(14) . . . . ?
N2 S1 N3 C30 43.9(14) . . . . ?
F1 Sb1 C1 C6 -20.2(6) . . . . ?
O2 Sb1 C1 C6 -106.6(6) . . . . ?
O1 Sb1 C1 C6 -73.8(13) . . . . ?
C7 Sb1 C1 C6 73.7(6) . . . . ?
C18 Sb1 C1 C6 157.7(6) . . . . ?
F1 Sb1 C1 C2 167.1(5) . . . . ?
O2 Sb1 C1 C2 80.7(5) . . . . ?
O1 Sb1 C1 C2 113.4(11) . . . . ?
C7 Sb1 C1 C2 -99.1(6) . . . . ?
C18 Sb1 C1 C2 -15.0(6) . . . . ?
C6 C1 C2 C3 -0.5(11) . . . . ?
Sb1 C1 C2 C3 172.5(6) . . . . ?
C1 C2 C3 C4 -0.9(13) . . . . ?
C2 C3 C4 C5 1.4(14) . . . . ?
C3 C4 C5 C6 -0.4(16) . . . . ?
C2 C1 C6 C5 1.6(13) . . . . ?
Sb1 C1 C6 C5 -171.5(8) . . . . ?
C4 C5 C6 C1 -1.1(16) . . . . ?
F1 Sb1 C7 C8 5.1(6) . . . . ?
O2 Sb1 C7 C8 95.1(11) . . . . ?
O1 Sb1 C7 C8 87.8(6) . . . . ?
C1 Sb1 C7 C8 -85.9(6) . . . . ?
C18 Sb1 C7 C8 178.0(6) . . . . ?
F1 Sb1 C7 C12 -175.1(4) . . . . ?
O2 Sb1 C7 C12 -85.1(10) . . . . ?
O1 Sb1 C7 C12 -92.5(4) . . . . ?
C1 Sb1 C7 C12 93.8(5) . . . . ?
C18 Sb1 C7 C12 -2.3(4) . . . . ?
C12 C7 C8 C9 1.0(10) . . . . ?
Sb1 C7 C8 C9 -179.2(5) . . . . ?
C7 C8 C9 C10 -0.6(10) . . . . ?
C8 C9 C10 C11 -0.3(11) . . . . ?
C9 C10 C11 C12 0.9(11) . . . . ?
C10 C11 C12 C7 -0.5(10) . . . . ?
C10 C11 C12 C13 178.3(6) . . . . ?
C8 C7 C12 C11 -0.5(9) . . . . ?
Sb1 C7 C12 C11 179.8(5) . . . . ?
C8 C7 C12 C13 -179.3(6) . . . . ?
Sb1 C7 C12 C13 0.9(7) . . . . ?
C11 C12 C13 C14 3.6(10) . . . . ?
C7 C12 C13 C14 -177.5(6) . . . . ?
C11 C12 C13 C18 -176.7(6) . . . . ?
C7 C12 C13 C18 2.1(8) . . . . ?
C18 C13 C14 C15 1.4(10) . . . . ?
C12 C13 C14 C15 -179.0(6) . . . . ?
C13 C14 C15 C16 -0.3(12) . . . . ?
C14 C15 C16 C17 -0.5(12) . . . . ?
C15 C16 C17 C18 0.2(10) . . . . ?
C16 C17 C18 C13 0.9(9) . . . . ?
C16 C17 C18 Sb1 -176.0(5) . . . . ?
C14 C13 C18 C17 -1.7(9) . . . . ?
C12 C13 C18 C17 178.6(5) . . . . ?
C14 C13 C18 Sb1 175.8(5) . . . . ?
C12 C13 C18 Sb1 -3.8(7) . . . . ?
F1 Sb1 C18 C17 -115.2(14) . . . . ?
O2 Sb1 C18 C17 -12.0(6) . . . . ?
O1 Sb1 C18 C17 -90.6(6) . . . . ?
C7 Sb1 C18 C17 -179.5(6) . . . . ?
C1 Sb1 C18 C17 80.2(6) . . . . ?
F1 Sb1 C18 C13 67.6(16) . . . . ?
O2 Sb1 C18 C13 170.8(4) . . . . ?
O1 Sb1 C18 C13 92.2(4) . . . . ?
C7 Sb1 C18 C13 3.3(4) . . . . ?
C1 Sb1 C18 C13 -97.0(4) . . . . ?
Sb1 O1 C19 C20 172.3(5) . . . . ?
Sb1 O1 C19 C24 -7.7(6) . . . . ?
O1 C19 C20 C21 -178.9(6) . . . . ?
C24 C19 C20 C21 1.2(9) . . . . ?
O1 C19 C20 Cl1 0.6(8) . . . . ?
C24 C19 C20 Cl1 -179.3(4) . . . . ?
C19 C20 C21 C22 -0.8(11) . . . . ?
Cl1 C20 C21 C22 179.8(6) . . . . ?
C19 C20 C21 Cl2 177.9(5) . . . . ?
Cl1 C20 C21 Cl2 -1.6(9) . . . . ?
C20 C21 C22 C23 0.0(11) . . . . ?
Cl2 C21 C22 C23 -178.6(6) . . . . ?
C20 C21 C22 Cl3 178.7(6) . . . . ?
Cl2 C21 C22 Cl3 0.2(10) . . . . ?
C21 C22 C23 C24 0.4(10) . . . . ?
Cl3 C22 C23 C24 -178.2(5) . . . . ?
C21 C22 C23 Cl4 178.1(6) . . . . ?
Cl3 C22 C23 Cl4 -0.6(9) . . . . ?
Sb1 O2 C24 C23 -171.2(5) . . . . ?
Sb1 O2 C24 C19 8.7(6) . . . . ?
C22 C23 C24 O2 179.9(6) . . . . ?
Cl4 C23 C24 O2 2.3(9) . . . . ?
C22 C23 C24 C19 0.0(9) . . . . ?
Cl4 C23 C24 C19 -177.6(5) . . . . ?
O1 C19 C24 O2 -0.6(8) . . . . ?
C20 C19 C24 O2 179.3(5) . . . . ?
O1 C19 C24 C23 179.3(5) . . . . ?
C20 C19 C24 C23 -0.8(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        28.36
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         3.313
_refine_diff_density_min         -3.658
_refine_diff_density_rms         0.174
_database_code_depnum_ccdc_archive 'CCDC 984281'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_i

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            none
_chemical_melting_point          none
_chemical_formula_moiety         '2(C32 H19 F O4 Sb), 2(C6 H18 N3 S)'
_chemical_formula_sum            'C38 H37 F N3 O4 S Sb'
_chemical_formula_weight         772.52

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)

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

_cell_length_a                   14.7131(16)
_cell_length_b                   16.7493(18)
_cell_length_c                   27.433(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6760.4(13)
_cell_formula_units_Z            8
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    9840
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      28.06

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3152
_exptl_absorpt_coefficient_mu    0.929
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7809
_exptl_absorpt_correction_T_max  0.9294
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      110(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            84322
_diffrn_reflns_av_R_equivalents  0.0494
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         1.57
_diffrn_reflns_theta_max         28.33
_reflns_number_total             16829
_reflns_number_gt                14859
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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)+(0.0520P)²+6.1035P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.788(14)
_refine_ls_number_reflns         16829
_refine_ls_number_parameters     886
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0391
_refine_ls_wR_factor_ref         0.0957
_refine_ls_wR_factor_gt          0.0908
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.060
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb -0.403207(16) -0.404476(15) -0.399552(7) 0.01333(5) Uani 1 1 d . . .
Sb2 Sb -0.346435(15) 0.098086(15) -0.392396(7) 0.01231(5) Uani 1 1 d . . .
F1 F -0.49871(16) -0.34175(14) -0.43287(8) 0.0212(5) Uani 1 1 d . . .
F2 F -0.25018(15) 0.15952(14) -0.42603(8) 0.0193(5) Uani 1 1 d . . .
O1 O -0.42736(18) -0.49675(17) -0.44847(9) 0.0183(6) Uani 1 1 d . . .
O2 O -0.32926(18) -0.36800(16) -0.46114(9) 0.0170(5) Uani 1 1 d . . .
O3 O -0.3661(2) -0.45515(19) -0.67397(10) 0.0251(7) Uani 1 1 d . . .
O4 O -0.2356(3) -0.2749(2) -0.52697(11) 0.0371(9) Uani 1 1 d . . .
O5 O -0.31923(18) 0.00429(16) -0.43999(9) 0.0171(6) Uani 1 1 d . . .
O6 O -0.41900(18) 0.13215(16) -0.45493(9) 0.0163(5) Uani 1 1 d . . .
O7 O -0.3942(2) 0.03127(18) -0.66550(10) 0.0260(7) Uani 1 1 d . . .
O8 O -0.5135(3) 0.2220(2) -0.52093(10) 0.0392(9) Uani 1 1 d . . .
N1 N -0.3641(3) -0.1906(2) -0.06685(13) 0.0316(9) Uani 1 1 d . . .
N2 N -0.2691(3) -0.2753(3) -0.12153(18) 0.0537(15) Uani 1 1 d . . .
N3 N -0.2817(4) -0.3312(2) -0.03770(14) 0.0399(11) Uani 1 1 d . . .
N4 N -0.1116(3) -0.1862(2) -0.43134(13) 0.0269(8) Uani 1 1 d . . .
N5 N -0.0367(3) -0.2770(2) -0.37070(14) 0.0315(9) Uani 1 1 d . . .
N6 N -0.0301(3) -0.3300(2) -0.45638(14) 0.0314(9) Uani 1 1 d . . .
C1 C -0.5066(3) -0.4574(2) -0.35611(14) 0.0151(7) Uani 1 1 d . . .
C2 C -0.4924(3) -0.4707(2) -0.30642(14) 0.0187(8) Uani 1 1 d . . .
H2A H -0.4363 -0.4559 -0.2919 0.022 Uiso 1 1 calc R . .
C3 C -0.5594(3) -0.5052(3) -0.27821(15) 0.0236(9) Uani 1 1 d . . .
H3A H -0.5493 -0.5135 -0.2444 0.028 Uiso 1 1 calc R . .
C4 C -0.6414(3) -0.5280(2) -0.29897(15) 0.0220(8) Uani 1 1 d . . .
H4A H -0.6868 -0.5528 -0.2795 0.026 Uiso 1 1 calc R . .
C5 C -0.6570(3) -0.5145(2) -0.34821(16) 0.0234(9) Uani 1 1 d . . .
H5A H -0.7134 -0.5293 -0.3624 0.028 Uiso 1 1 calc R . .
C6 C -0.5892(3) -0.4790(2) -0.37686(14) 0.0188(8) Uani 1 1 d . . .
H6A H -0.5997 -0.4696 -0.4105 0.023 Uiso 1 1 calc R . .
C7 C -0.3623(3) -0.3068(2) -0.35475(12) 0.0147(7) Uani 1 1 d . . .
C8 C -0.3991(3) -0.2311(2) -0.35167(13) 0.0184(8) Uani 1 1 d . . .
H8A H -0.4497 -0.2173 -0.3714 0.022 Uiso 1 1 calc R . .
C9 C -0.3625(3) -0.1749(3) -0.31982(15) 0.0236(9) Uani 1 1 d . . .
H9A H -0.3874 -0.1226 -0.3184 0.028 Uiso 1 1 calc R . .
C10 C -0.2896(3) -0.1954(3) -0.29014(16) 0.0248(9) Uani 1 1 d . . .
H10A H -0.2636 -0.1567 -0.2690 0.030 Uiso 1 1 calc R . .
C11 C -0.2544(3) -0.2729(3) -0.29138(15) 0.0209(9) Uani 1 1 d . . .
H11A H -0.2061 -0.2873 -0.2702 0.025 Uiso 1 1 calc R . .
C12 C -0.2899(3) -0.3290(2) -0.32361(13) 0.0161(7) Uani 1 1 d . . .
C13 C -0.2507(2) -0.4116(2) -0.32942(13) 0.0164(7) Uani 1 1 d . . .
C14 C -0.1813(3) -0.4411(3) -0.30021(17) 0.0266(9) Uani 1 1 d . . .
H14A H -0.1572 -0.4092 -0.2747 0.032 Uiso 1 1 calc R . .
C16 C -0.1813(3) -0.5643(3) -0.34595(17) 0.0265(9) Uani 1 1 d . . .
H16A H -0.1566 -0.6157 -0.3522 0.032 Uiso 1 1 calc R . .
C17 C -0.2523(3) -0.5354(2) -0.37432(15) 0.0203(8) Uani 1 1 d . . .
H17A H -0.2770 -0.5678 -0.3994 0.024 Uiso 1 1 calc R . .
C18 C -0.2873(3) -0.4596(2) -0.36643(13) 0.0155(7) Uani 1 1 d . . .
C19 C -0.4034(3) -0.4801(2) -0.49386(13) 0.0155(7) Uani 1 1 d . . .
C20 C -0.4295(2) -0.5269(2) -0.53293(14) 0.0166(8) Uani 1 1 d . . .
H20A H -0.4630 -0.5746 -0.5276 0.020 Uiso 1 1 calc R . .
C21 C -0.4065(3) -0.5036(2) -0.58007(13) 0.0177(7) Uani 1 1 d . . .
H21A H -0.4256 -0.5355 -0.6068 0.021 Uiso 1 1 calc R . .
C22 C -0.3566(3) -0.4352(2) -0.58891(13) 0.0149(7) Uani 1 1 d . . .
C23 C -0.3389(3) -0.4136(2) -0.63993(12) 0.0169(7) Uani 1 1 d . . .
C24 C -0.2895(2) -0.3378(2) -0.64972(13) 0.0155(7) Uani 1 1 d . . .
C25 C -0.2753(3) -0.3143(2) -0.69794(14) 0.0201(8) Uani 1 1 d . . .
H25A H -0.2989 -0.3454 -0.7240 0.024 Uiso 1 1 calc R . .
C26 C -0.2263(3) -0.2449(3) -0.70769(14) 0.0251(9) Uani 1 1 d . . .
H26A H -0.2176 -0.2280 -0.7404 0.030 Uiso 1 1 calc R . .
C27 C -0.1898(3) -0.2001(3) -0.66924(16) 0.0262(9) Uani 1 1 d . . .
H27A H -0.1556 -0.1533 -0.6760 0.031 Uiso 1 1 calc R . .
C28 C -0.2036(3) -0.2239(3) -0.62130(15) 0.0225(9) Uani 1 1 d . . .
H28A H -0.1781 -0.1938 -0.5953 0.027 Uiso 1 1 calc R . .
C29 C -0.2549(3) -0.2921(2) -0.61136(13) 0.0169(7) Uani 1 1 d . . .
C30 C -0.2698(3) -0.3152(2) -0.55876(14) 0.0193(8) Uani 1 1 d . . .
C31 C -0.3254(2) -0.3863(2) -0.54922(13) 0.0161(8) Uani 1 1 d . . .
C32 C -0.3502(2) -0.4082(2) -0.50116(11) 0.0133(6) Uani 1 1 d . . .
C33 C -0.2437(2) 0.0530(2) -0.34531(13) 0.0138(7) Uani 1 1 d . . .
C34 C -0.1638(3) 0.0183(2) -0.36374(15) 0.0214(8) Uani 1 1 d . . .
H34A H -0.1578 0.0093 -0.3978 0.026 Uiso 1 1 calc R . .
C35 C -0.0936(3) -0.0029(3) -0.33256(16) 0.0253(9) Uani 1 1 d . . .
H35A H -0.0402 -0.0270 -0.3454 0.030 Uiso 1 1 calc R . .
C36 C -0.1006(3) 0.0107(3) -0.28291(15) 0.0248(9) Uani 1 1 d . . .
H36A H -0.0520 -0.0032 -0.2618 0.030 Uiso 1 1 calc R . .
C37 C -0.1788(3) 0.0446(3) -0.26422(15) 0.0238(9) Uani 1 1 d . . .
H37A H -0.1843 0.0535 -0.2301 0.029 Uiso 1 1 calc R . .
C38 C -0.2497(3) 0.0658(3) -0.29534(15) 0.0206(8) Uani 1 1 d . . .
H38A H -0.3030 0.0894 -0.2822 0.025 Uiso 1 1 calc R . .
C39 C -0.4664(2) 0.0445(2) -0.36303(13) 0.0136(7) Uani 1 1 d . . .
C40 C -0.5038(3) -0.0303(2) -0.37321(15) 0.0196(8) Uani 1 1 d . . .
H40A H -0.4743 -0.0650 -0.3956 0.023 Uiso 1 1 calc R . .
C41 C -0.5842(3) -0.0541(3) -0.35058(15) 0.0254(9) Uani 1 1 d . . .
H41A H -0.6090 -0.1054 -0.3572 0.030 Uiso 1 1 calc R . .
C42 C -0.6281(3) -0.0031(3) -0.31852(15) 0.0230(9) Uani 1 1 d . . .
H42A H -0.6827 -0.0198 -0.3031 0.028 Uiso 1 1 calc R . .
C43 C -0.5932(3) 0.0718(2) -0.30877(14) 0.0200(8) Uani 1 1 d . . .
H43A H -0.6247 0.1070 -0.2876 0.024 Uiso 1 1 calc R . .
C44 C -0.5106(2) 0.0957(2) -0.33042(12) 0.0139(6) Uani 1 1 d . . .
C45 C -0.4677(2) 0.1759(2) -0.32094(13) 0.0143(7) Uani 1 1 d . . .
C46 C -0.4987(3) 0.2297(3) -0.28590(14) 0.0207(8) Uani 1 1 d . . .
H46A H -0.5482 0.2153 -0.2655 0.025 Uiso 1 1 calc R . .
C47 C -0.4585(3) 0.3031(3) -0.28056(15) 0.0231(9) Uani 1 1 d . . .
H47A H -0.4807 0.3392 -0.2567 0.028 Uiso 1 1 calc R . .
C48 C -0.3851(3) 0.3249(2) -0.31012(15) 0.0218(8) Uani 1 1 d . . .
H48A H -0.3589 0.3766 -0.3072 0.026 Uiso 1 1 calc R . .
C49 C -0.3508(3) 0.2708(2) -0.34364(13) 0.0165(7) Uani 1 1 d . . .
H49A H -0.2991 0.2845 -0.3626 0.020 Uiso 1 1 calc R . .
C50 C -0.3915(3) 0.1964(2) -0.34965(12) 0.0133(7) Uani 1 1 d . . .
C51 C -0.3455(3) 0.0191(2) -0.48546(12) 0.0142(7) Uani 1 1 d . . .
C52 C -0.3218(3) -0.0314(2) -0.52359(14) 0.0177(8) Uani 1 1 d . . .
H52A H -0.2881 -0.0787 -0.5175 0.021 Uiso 1 1 calc R . .
C53 C -0.3482(3) -0.0120(2) -0.57098(13) 0.0154(7) Uani 1 1 d . . .
H53A H -0.3318 -0.0463 -0.5971 0.018 Uiso 1 1 calc R . .
C54 C -0.3979(3) 0.0565(2) -0.58066(12) 0.0146(7) Uani 1 1 d . . .
C55 C -0.4175(3) 0.0756(2) -0.63181(13) 0.0165(8) Uani 1 1 d . . .
C56 C -0.4676(2) 0.1509(2) -0.64282(13) 0.0162(7) Uani 1 1 d . . .
C57 C -0.4848(3) 0.1725(3) -0.69123(14) 0.0197(8) Uani 1 1 d . . .
H57A H -0.4606 0.1415 -0.7172 0.024 Uiso 1 1 calc R . .
C58 C -0.5370(3) 0.2394(3) -0.70118(14) 0.0235(9) Uani 1 1 d . . .
H58A H -0.5482 0.2541 -0.7341 0.028 Uiso 1 1 calc R . .
C59 C -0.5732(3) 0.2851(3) -0.66359(15) 0.0224(9) Uani 1 1 d . . .
H59A H -0.6102 0.3301 -0.6708 0.027 Uiso 1 1 calc R . .
C60 C -0.5551(3) 0.2647(2) -0.61527(14) 0.0202(8) Uani 1 1 d . . .
H60A H -0.5794 0.2961 -0.5895 0.024 Uiso 1 1 calc R . .
C61 C -0.5011(2) 0.1981(2) -0.60459(13) 0.0147(7) Uani 1 1 d . . .
C62 C -0.4818(3) 0.1790(2) -0.55246(14) 0.0189(8) Uani 1 1 d . . .
C63 C -0.4261(2) 0.1082(2) -0.54188(12) 0.0129(7) Uani 1 1 d . . .
C64 C -0.3989(2) 0.0896(2) -0.49383(11) 0.0130(6) Uani 1 1 d . . .
C65 C -0.3498(4) -0.1323(3) -0.0300(2) 0.0523(17) Uani 1 1 d . E .
H65A H -0.4036 -0.0980 -0.0274 0.078 Uiso 1 1 calc R . .
H65B H -0.2967 -0.0997 -0.0383 0.078 Uiso 1 1 calc R . .
H65C H -0.3392 -0.1590 0.0013 0.078 Uiso 1 1 calc R . .
C66 C -0.4553(5) -0.2062(4) -0.0817(2) 0.077(3) Uani 1 1 d . E .
H66A H -0.4928 -0.1589 -0.0757 0.115 Uiso 1 1 calc R A 2
H66B H -0.4794 -0.2514 -0.0631 0.115 Uiso 1 1 calc R A 2
H66C H -0.4563 -0.2190 -0.1166 0.115 Uiso 1 1 calc R A 2
C67 C -0.2787(3) -0.2161(3) -0.16007(16) 0.0270(9) Uani 1 1 d . E .
H67A H -0.2783 -0.2429 -0.1918 0.040 Uiso 1 1 calc R . .
H67B H -0.2280 -0.1783 -0.1584 0.040 Uiso 1 1 calc R . .
H67C H -0.3362 -0.1874 -0.1559 0.040 Uiso 1 1 calc R . .
C68 C -0.2000(4) -0.3365(3) -0.1327(2) 0.0446(14) Uani 1 1 d . E .
H68A H -0.2052 -0.3524 -0.1669 0.067 Uiso 1 1 calc R . .
H68B H -0.2096 -0.3832 -0.1117 0.067 Uiso 1 1 calc R . .
H68C H -0.1392 -0.3146 -0.1267 0.067 Uiso 1 1 calc R . .
C69 C -0.3429(4) -0.3964(5) -0.0428(3) 0.083(3) Uani 1 1 d . E .
H69A H -0.3302 -0.4363 -0.0176 0.124 Uiso 1 1 calc R B 2
H69B H -0.3354 -0.4205 -0.0751 0.124 Uiso 1 1 calc R B 2
H69C H -0.4055 -0.3771 -0.0392 0.124 Uiso 1 1 calc R B 2
C70 C -0.2365(4) -0.3195(4) 0.0079(2) 0.0551(17) Uani 1 1 d . E .
H70A H -0.2418 -0.3680 0.0277 0.083 Uiso 1 1 calc R . .
H70B H -0.2646 -0.2747 0.0252 0.083 Uiso 1 1 calc R . .
H70C H -0.1722 -0.3078 0.0021 0.083 Uiso 1 1 calc R . .
C71 C -0.2044(3) -0.2084(3) -0.41839(17) 0.0334(11) Uani 1 1 d . F .
H71A H -0.2450 -0.1630 -0.4243 0.050 Uiso 1 1 calc R C 2
H71B H -0.2068 -0.2231 -0.3838 0.050 Uiso 1 1 calc R C 2
H71C H -0.2237 -0.2539 -0.4383 0.050 Uiso 1 1 calc R C 2
C72 C -0.1040(3) -0.1289(3) -0.47121(17) 0.0329(10) Uani 1 1 d . F .
H72A H -0.1588 -0.0956 -0.4722 0.049 Uiso 1 1 calc R . .
H72B H -0.0976 -0.1576 -0.5022 0.049 Uiso 1 1 calc R . .
H72C H -0.0506 -0.0950 -0.4660 0.049 Uiso 1 1 calc R . .
C73 C -0.0410(3) -0.2124(3) -0.33449(16) 0.0292(10) Uani 1 1 d . F .
H73A H -0.0489 -0.2352 -0.3019 0.044 Uiso 1 1 calc R . .
H73B H -0.0925 -0.1773 -0.3420 0.044 Uiso 1 1 calc R . .
H73C H 0.0155 -0.1815 -0.3355 0.044 Uiso 1 1 calc R . .
C74 C 0.0312(3) -0.3381(3) -0.35656(19) 0.0354(11) Uani 1 1 d . F .
H74A H 0.0198 -0.3552 -0.3229 0.053 Uiso 1 1 calc R . .
H74B H 0.0924 -0.3153 -0.3590 0.053 Uiso 1 1 calc R . .
H74C H 0.0262 -0.3842 -0.3784 0.053 Uiso 1 1 calc R . .
C75 C -0.1008(4) -0.3873(3) -0.4490(2) 0.0400(12) Uani 1 1 d . F .
H75A H -0.0910 -0.4331 -0.4707 0.060 Uiso 1 1 calc R D 2
H75B H -0.1597 -0.3628 -0.4563 0.060 Uiso 1 1 calc R D 2
H75C H -0.1000 -0.4053 -0.4150 0.060 Uiso 1 1 calc R D 2
C76 C 0.0079(4) -0.3225(3) -0.50532(19) 0.0396(12) Uani 1 1 d . F .
H76A H 0.0027 -0.3737 -0.5224 0.059 Uiso 1 1 calc R . .
H76B H 0.0721 -0.3073 -0.5031 0.059 Uiso 1 1 calc R . .
H76C H -0.0255 -0.2814 -0.5234 0.059 Uiso 1 1 calc R . .
S1A S -0.26795(10) -0.24431(9) -0.06761(5) 0.0191(4) Uani 0.684(3) 1 d P E 1
S2A S -0.02274(8) -0.24413(7) -0.42732(4) 0.0199(3) Uani 0.848(3) 1 d P F 1
S1B S -0.3464(2) -0.28639(17) -0.07980(10) 0.0153(8) Uani 0.316(3) 1 d P E 2
S2B S -0.1004(5) -0.2902(4) -0.4160(2) 0.0239(19) Uani 0.152(3) 1 d P F 2
C15_1 C -0.1469(3) -0.5178(3) -0.30832(18) 0.0313(10) Uani 1 1 d . . .
H15A_1 H -0.0998 -0.5381 -0.2881 0.038 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
Sb1 F1 1.978(2) . ?
Sb1 O1 2.077(3) . ?
Sb1 O2 2.100(3) . ?
Sb1 C1 2.126(4) . ?
Sb1 C7 2.132(4) . ?
Sb1 C18 2.141(4) . ?
Sb2 F2 1.979(2) . ?
Sb2 O5 2.082(3) . ?
Sb2 O6 2.100(2) . ?
Sb2 C33 2.127(4) . ?
Sb2 C50 2.128(4) . ?
Sb2 C39 2.138(4) . ?
O1 C19 1.324(4) . ?
O2 C32 1.325(4) . ?
O3 C23 1.231(4) . ?
O4 C30 1.213(5) . ?
O5 C51 1.329(4) . ?
O6 C64 1.317(4) . ?
O7 C55 1.234(4) . ?
O8 C62 1.218(5) . ?
N1 C65 1.422(6) . ?
N1 C66 1.426(7) . ?
N1 S1B 1.664(5) . ?
N1 S1A 1.677(4) . ?
N2 C67 1.456(6) . ?
N2 C68 1.476(6) . ?
N2 S1A 1.568(5) . ?
N2 S1B 1.624(5) . ?
N3 C69 1.422(8) . ?
N3 C70 1.430(7) . ?
N3 S1B 1.675(5) . ?
N3 S1A 1.684(4) . ?
N4 C71 1.459(6) . ?
N4 C72 1.460(6) . ?
N4 S2A 1.631(4) . ?
N4 S2B 1.798(8) . ?
N5 C73 1.471(6) . ?
N5 C74 1.481(6) . ?
N5 S2B 1.573(8) . ?
N5 S2A 1.661(4) . ?
N6 C75 1.429(6) . ?
N6 C76 1.460(6) . ?
N6 S2A 1.648(4) . ?
N6 S2B 1.656(8) . ?
C1 C6 1.389(5) . ?
C1 C2 1.397(5) . ?
C2 C3 1.379(6) . ?
C2 H2A 0.9500 . ?
C3 C4 1.388(6) . ?
C3 H3A 0.9500 . ?
C4 C5 1.388(6) . ?
C4 H4A 0.9500 . ?
C5 C6 1.403(6) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 C8 1.382(5) . ?
C7 C12 1.415(5) . ?
C8 C9 1.393(6) . ?
C8 H8A 0.9500 . ?
C9 C10 1.390(6) . ?
C9 H9A 0.9500 . ?
C10 C11 1.397(6) . ?
C10 H10A 0.9500 . ?
C11 C12 1.392(5) . ?
C11 H11A 0.9500 . ?
C12 C13 1.507(6) . ?
C13 C14 1.390(5) . ?
C13 C18 1.403(5) . ?
C14 C15_1 1.398(6) . ?
C14 H14A 0.9500 . ?
C16 C17 1.389(6) . ?
C16 C15_1 1.390(6) . ?
C16 H16A 0.9500 . ?
C17 C18 1.387(5) . ?
C17 H17A 0.9500 . ?
C19 C20 1.382(5) . ?
C19 C32 1.450(5) . ?
C20 C21 1.392(5) . ?
C20 H20A 0.9500 . ?
C21 C22 1.383(5) . ?
C21 H21A 0.9500 . ?
C22 C31 1.438(5) . ?
C22 C23 1.469(5) . ?
C23 C24 1.487(6) . ?
C24 C25 1.396(5) . ?
C24 C29 1.398(5) . ?
C25 C26 1.393(6) . ?
C25 H25A 0.9500 . ?
C26 C27 1.402(6) . ?
C26 H26A 0.9500 . ?
C27 C28 1.389(6) . ?
C27 H27A 0.9500 . ?
C28 C29 1.397(6) . ?
C28 H28A 0.9500 . ?
C29 C30 1.510(5) . ?
C30 C31 1.468(5) . ?
C31 C32 1.416(5) . ?
C33 C38 1.390(5) . ?
C33 C34 1.406(5) . ?
C34 C35 1.388(6) . ?
C34 H34A 0.9500 . ?
C35 C36 1.385(6) . ?
C35 H35A 0.9500 . ?
C36 C37 1.381(6) . ?
C36 H36A 0.9500 . ?
C37 C38 1.393(5) . ?
C37 H37A 0.9500 . ?
C38 H38A 0.9500 . ?
C39 C40 1.396(5) . ?
C39 C44 1.400(5) . ?
C40 C41 1.395(6) . ?
C40 H40A 0.9500 . ?
C41 C42 1.386(6) . ?
C41 H41A 0.9500 . ?
C42 C43 1.381(6) . ?
C42 H42A 0.9500 . ?
C43 C44 1.411(5) . ?
C43 H43A 0.9500 . ?
C44 C45 1.507(5) . ?
C45 C46 1.394(5) . ?
C45 C50 1.412(5) . ?
C46 C47 1.371(6) . ?
C46 H46A 0.9500 . ?
C47 C48 1.399(6) . ?
C47 H47A 0.9500 . ?
C48 C49 1.387(5) . ?
C48 H48A 0.9500 . ?
C49 C50 1.392(5) . ?
C49 H49A 0.9500 . ?
C51 C52 1.390(5) . ?
C51 C64 1.437(5) . ?
C52 C53 1.395(5) . ?
C52 H52A 0.9500 . ?
C53 C54 1.386(5) . ?
C53 H53A 0.9500 . ?
C54 C63 1.433(5) . ?
C54 C55 1.468(5) . ?
C55 C56 1.493(5) . ?
C56 C57 1.399(5) . ?
C56 C61 1.403(5) . ?
C57 C58 1.385(6) . ?
C57 H57A 0.9500 . ?
C58 C59 1.391(6) . ?
C58 H58A 0.9500 . ?
C59 C60 1.395(5) . ?
C59 H59A 0.9500 . ?
C60 C61 1.400(5) . ?
C60 H60A 0.9500 . ?
C61 C62 1.493(5) . ?
C62 C63 1.470(5) . ?
C63 C64 1.412(5) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 S1B 2.091(9) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 S1B 2.104(10) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 S2B 2.054(9) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 S2B 1.862(9) . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C15_1 H15A_1 0.9500 . ?

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
F1 Sb1 O1 88.58(10) . . ?
F1 Sb1 O2 80.90(10) . . ?
O1 Sb1 O2 77.61(10) . . ?
F1 Sb1 C1 88.41(13) . . ?
O1 Sb1 C1 85.95(12) . . ?
O2 Sb1 C1 160.53(12) . . ?
F1 Sb1 C7 93.41(12) . . ?
O1 Sb1 C7 172.36(12) . . ?
O2 Sb1 C7 95.41(12) . . ?
C1 Sb1 C7 101.47(14) . . ?
F1 Sb1 C18 172.14(12) . . ?
O1 Sb1 C18 95.14(13) . . ?
O2 Sb1 C18 93.12(12) . . ?
C1 Sb1 C18 98.74(14) . . ?
C7 Sb1 C18 82.02(15) . . ?
F2 Sb2 O5 87.84(10) . . ?
F2 Sb2 O6 80.89(10) . . ?
O5 Sb2 O6 77.90(10) . . ?
F2 Sb2 C33 87.68(12) . . ?
O5 Sb2 C33 88.64(12) . . ?
O6 Sb2 C33 162.58(12) . . ?
F2 Sb2 C50 94.45(12) . . ?
O5 Sb2 C50 171.80(12) . . ?
O6 Sb2 C50 94.66(12) . . ?
C33 Sb2 C50 99.31(14) . . ?
F2 Sb2 C39 170.05(12) . . ?
O5 Sb2 C39 94.48(13) . . ?
O6 Sb2 C39 90.12(12) . . ?
C33 Sb2 C39 102.04(14) . . ?
C50 Sb2 C39 81.96(14) . . ?
C19 O1 Sb1 113.9(2) . . ?
C32 O2 Sb1 113.5(2) . . ?
C51 O5 Sb2 113.1(2) . . ?
C64 O6 Sb2 113.6(2) . . ?
C65 N1 C66 118.0(5) . . ?
C65 N1 S1B 142.3(3) . . ?
C66 N1 S1B 84.8(4) . . ?
C65 N1 S1A 104.6(4) . . ?
C66 N1 S1A 133.8(5) . . ?
S1B N1 S1A 49.30(15) . . ?
C67 N2 C68 112.9(4) . . ?
C67 N2 S1A 117.4(4) . . ?
C68 N2 S1A 114.7(4) . . ?
C67 N2 S1B 121.5(3) . . ?
C68 N2 S1B 123.3(4) . . ?
S1A N2 S1B 51.72(17) . . ?
C69 N3 C70 119.1(6) . . ?
C69 N3 S1B 85.2(5) . . ?
C70 N3 S1B 143.7(4) . . ?
C69 N3 S1A 133.8(5) . . ?
C70 N3 S1A 104.6(4) . . ?
S1B N3 S1A 49.02(15) . . ?
C71 N4 C72 114.9(4) . . ?
C71 N4 S2A 125.6(3) . . ?
C72 N4 S2A 112.4(3) . . ?
C71 N4 S2B 77.4(4) . . ?
C72 N4 S2B 143.6(4) . . ?
S2A N4 S2B 48.4(3) . . ?
C73 N5 C74 111.1(4) . . ?
C73 N5 S2B 127.7(4) . . ?
C74 N5 S2B 120.8(4) . . ?
C73 N5 S2A 113.1(3) . . ?
C74 N5 S2A 113.0(3) . . ?
S2B N5 S2A 51.7(3) . . ?
C75 N6 C76 117.8(4) . . ?
C75 N6 S2A 124.4(3) . . ?
C76 N6 S2A 110.1(3) . . ?
C75 N6 S2B 73.8(4) . . ?
C76 N6 S2B 145.0(4) . . ?
S2A N6 S2B 50.6(3) . . ?
C6 C1 C2 119.3(4) . . ?
C6 C1 Sb1 120.3(3) . . ?
C2 C1 Sb1 120.5(3) . . ?
C3 C2 C1 120.5(4) . . ?
C3 C2 H2A 119.7 . . ?
C1 C2 H2A 119.7 . . ?
C2 C3 C4 120.4(4) . . ?
C2 C3 H3A 119.8 . . ?
C4 C3 H3A 119.8 . . ?
C3 C4 C5 119.9(4) . . ?
C3 C4 H4A 120.1 . . ?
C5 C4 H4A 120.1 . . ?
C4 C5 C6 119.8(4) . . ?
C4 C5 H5A 120.1 . . ?
C6 C5 H5A 120.1 . . ?
C1 C6 C5 120.2(4) . . ?
C1 C6 H6A 119.9 . . ?
C5 C6 H6A 119.9 . . ?
C8 C7 C12 119.9(4) . . ?
C8 C7 Sb1 128.9(3) . . ?
C12 C7 Sb1 111.1(3) . . ?
C7 C8 C9 120.5(4) . . ?
C7 C8 H8A 119.8 . . ?
C9 C8 H8A 119.8 . . ?
C10 C9 C8 119.9(4) . . ?
C10 C9 H9A 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C9 C10 C11 120.1(4) . . ?
C9 C10 H10A 120.0 . . ?
C11 C10 H10A 120.0 . . ?
C12 C11 C10 120.2(4) . . ?
C12 C11 H11A 119.9 . . ?
C10 C11 H11A 119.9 . . ?
C11 C12 C7 119.3(4) . . ?
C11 C12 C13 122.9(3) . . ?
C7 C12 C13 117.7(3) . . ?
C14 C13 C18 119.7(4) . . ?
C14 C13 C12 123.2(4) . . ?
C18 C13 C12 117.1(3) . . ?
C13 C14 C15_1 120.1(4) . . ?
C13 C14 H14A 119.9 . . ?
C15_1 C14 H14A 119.9 . . ?
C17 C16 C15_1 119.6(4) . . ?
C17 C16 H16A 120.2 . . ?
C15_1 C16 H16A 120.2 . . ?
C18 C17 C16 120.8(4) . . ?
C18 C17 H17A 119.6 . . ?
C16 C17 H17A 119.6 . . ?
C17 C18 C13 119.6(4) . . ?
C17 C18 Sb1 128.6(3) . . ?
C13 C18 Sb1 111.5(3) . . ?
O1 C19 C20 122.4(4) . . ?
O1 C19 C32 116.7(3) . . ?
C20 C19 C32 120.9(3) . . ?
C19 C20 C21 119.6(4) . . ?
C19 C20 H20A 120.2 . . ?
C21 C20 H20A 120.2 . . ?
C22 C21 C20 121.6(3) . . ?
C22 C21 H21A 119.2 . . ?
C20 C21 H21A 119.2 . . ?
C21 C22 C31 120.6(3) . . ?
C21 C22 C23 117.7(3) . . ?
C31 C22 C23 121.6(3) . . ?
O3 C23 C22 121.7(4) . . ?
O3 C23 C24 120.3(3) . . ?
C22 C23 C24 118.0(3) . . ?
C25 C24 C29 120.3(4) . . ?
C25 C24 C23 119.1(3) . . ?
C29 C24 C23 120.6(3) . . ?
C26 C25 C24 119.7(4) . . ?
C26 C25 H25A 120.2 . . ?
C24 C25 H25A 120.2 . . ?
C25 C26 C27 120.0(4) . . ?
C25 C26 H26A 120.0 . . ?
C27 C26 H26A 120.0 . . ?
C28 C27 C26 120.2(4) . . ?
C28 C27 H27A 119.9 . . ?
C26 C27 H27A 119.9 . . ?
C27 C28 C29 119.9(4) . . ?
C27 C28 H28A 120.1 . . ?
C29 C28 H28A 120.1 . . ?
C28 C29 C24 119.9(4) . . ?
C28 C29 C30 118.3(3) . . ?
C24 C29 C30 121.8(3) . . ?
O4 C30 C31 123.7(4) . . ?
O4 C30 C29 119.0(4) . . ?
C31 C30 C29 117.3(3) . . ?
C32 C31 C22 118.3(3) . . ?
C32 C31 C30 121.3(3) . . ?
C22 C31 C30 120.3(3) . . ?
O2 C32 C31 125.4(3) . . ?
O2 C32 C19 115.7(3) . . ?
C31 C32 C19 118.9(3) . . ?
C38 C33 C34 118.1(3) . . ?
C38 C33 Sb2 120.0(3) . . ?
C34 C33 Sb2 121.5(3) . . ?
C35 C34 C33 120.5(4) . . ?
C35 C34 H34A 119.8 . . ?
C33 C34 H34A 119.8 . . ?
C36 C35 C34 120.5(4) . . ?
C36 C35 H35A 119.7 . . ?
C34 C35 H35A 119.7 . . ?
C37 C36 C35 119.7(4) . . ?
C37 C36 H36A 120.1 . . ?
C35 C36 H36A 120.1 . . ?
C36 C37 C38 120.0(4) . . ?
C36 C37 H37A 120.0 . . ?
C38 C37 H37A 120.0 . . ?
C33 C38 C37 121.2(4) . . ?
C33 C38 H38A 119.4 . . ?
C37 C38 H38A 119.4 . . ?
C40 C39 C44 119.7(4) . . ?
C40 C39 Sb2 128.8(3) . . ?
C44 C39 Sb2 111.5(3) . . ?
C41 C40 C39 120.1(4) . . ?
C41 C40 H40A 119.9 . . ?
C39 C40 H40A 119.9 . . ?
C42 C41 C40 120.1(4) . . ?
C42 C41 H41A 120.0 . . ?
C40 C41 H41A 120.0 . . ?
C43 C42 C41 120.6(4) . . ?
C43 C42 H42A 119.7 . . ?
C41 C42 H42A 119.7 . . ?
C42 C43 C44 119.8(4) . . ?
C42 C43 H43A 120.1 . . ?
C44 C43 H43A 120.1 . . ?
C39 C44 C43 119.6(4) . . ?
C39 C44 C45 117.5(3) . . ?
C43 C44 C45 122.8(3) . . ?
C46 C45 C50 119.2(4) . . ?
C46 C45 C44 123.9(3) . . ?
C50 C45 C44 116.9(3) . . ?
C47 C46 C45 120.8(4) . . ?
C47 C46 H46A 119.6 . . ?
C45 C46 H46A 119.6 . . ?
C46 C47 C48 120.3(4) . . ?
C46 C47 H47A 119.8 . . ?
C48 C47 H47A 119.8 . . ?
C49 C48 C47 119.6(4) . . ?
C49 C48 H48A 120.2 . . ?
C47 C48 H48A 120.2 . . ?
C48 C49 C50 120.5(4) . . ?
C48 C49 H49A 119.8 . . ?
C50 C49 H49A 119.8 . . ?
C49 C50 C45 119.5(3) . . ?
C49 C50 Sb2 128.6(3) . . ?
C45 C50 Sb2 111.5(3) . . ?
O5 C51 C52 121.4(3) . . ?
O5 C51 C64 117.5(3) . . ?
C52 C51 C64 121.1(3) . . ?
C51 C52 C53 119.3(4) . . ?
C51 C52 H52A 120.3 . . ?
C53 C52 H52A 120.3 . . ?
C54 C53 C52 121.2(3) . . ?
C54 C53 H53A 119.4 . . ?
C52 C53 H53A 119.4 . . ?
C53 C54 C63 120.7(3) . . ?
C53 C54 C55 117.8(3) . . ?
C63 C54 C55 121.4(3) . . ?
O7 C55 C54 122.0(3) . . ?
O7 C55 C56 119.6(3) . . ?
C54 C55 C56 118.3(3) . . ?
C57 C56 C61 120.0(4) . . ?
C57 C56 C55 120.0(3) . . ?
C61 C56 C55 119.9(3) . . ?
C58 C57 C56 119.8(4) . . ?
C58 C57 H57A 120.1 . . ?
C56 C57 H57A 120.1 . . ?
C57 C58 C59 120.8(4) . . ?
C57 C58 H58A 119.6 . . ?
C59 C58 H58A 119.6 . . ?
C58 C59 C60 119.8(4) . . ?
C58 C59 H59A 120.1 . . ?
C60 C59 H59A 120.1 . . ?
C59 C60 C61 120.2(4) . . ?
C59 C60 H60A 119.9 . . ?
C61 C60 H60A 119.9 . . ?
C60 C61 C56 119.4(3) . . ?
C60 C61 C62 118.7(3) . . ?
C56 C61 C62 121.9(3) . . ?
O8 C62 C63 123.4(3) . . ?
O8 C62 C61 118.7(4) . . ?
C63 C62 C61 118.0(3) . . ?
C64 C63 C54 118.5(3) . . ?
C64 C63 C62 121.3(3) . . ?
C54 C63 C62 120.1(3) . . ?
O6 C64 C63 125.0(3) . . ?
O6 C64 C51 116.0(3) . . ?
C63 C64 C51 119.1(3) . . ?
N1 C65 H65A 109.5 . . ?
N1 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
N1 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N1 C66 S1B 52.4(3) . . ?
N1 C66 H66A 109.5 . . ?
S1B C66 H66A 161.2 . . ?
N1 C66 H66B 109.5 . . ?
S1B C66 H66B 76.5 . . ?
H66A C66 H66B 109.5 . . ?
N1 C66 H66C 109.5 . . ?
S1B C66 H66C 84.0 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
N2 C67 H67A 109.5 . . ?
N2 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
N2 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
N2 C68 H68A 109.5 . . ?
N2 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
N2 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
N3 C69 S1B 52.5(3) . . ?
N3 C69 H69A 109.5 . . ?
S1B C69 H69A 160.5 . . ?
N3 C69 H69B 109.5 . . ?
S1B C69 H69B 85.8 . . ?
H69A C69 H69B 109.5 . . ?
N3 C69 H69C 109.5 . . ?
S1B C69 H69C 74.8 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
N3 C70 H70A 109.5 . . ?
N3 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
N3 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
N4 C71 S2B 58.7(3) . . ?
N4 C71 H71A 109.5 . . ?
S2B C71 H71A 167.5 . . ?
N4 C71 H71B 109.5 . . ?
S2B C71 H71B 80.1 . . ?
H71A C71 H71B 109.5 . . ?
N4 C71 H71C 109.5 . . ?
S2B C71 H71C 73.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
N4 C72 H72A 109.5 . . ?
N4 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
N4 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
N5 C73 H73A 109.5 . . ?
N5 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
N5 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
N5 C74 H74A 109.5 . . ?
N5 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
N5 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
N6 C75 S2B 58.7(3) . . ?
N6 C75 H75A 109.5 . . ?
S2B C75 H75A 167.9 . . ?
N6 C75 H75B 109.5 . . ?
S2B C75 H75B 74.6 . . ?
H75A C75 H75B 109.5 . . ?
N6 C75 H75C 109.5 . . ?
S2B C75 H75C 78.9 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
N6 C76 H76A 109.5 . . ?
N6 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
N6 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N2 S1A N1 100.4(2) . . ?
N2 S1A N3 99.9(2) . . ?
N1 S1A N3 110.9(2) . . ?
N4 S2A N6 115.7(2) . . ?
N4 S2A N5 99.3(2) . . ?
N6 S2A N5 98.9(2) . . ?
N2 S1B N1 98.6(3) . . ?
N2 S1B N3 98.0(3) . . ?
N1 S1B N3 112.0(2) . . ?
N2 S1B C66 116.4(3) . . ?
N1 S1B C66 42.8(2) . . ?
N3 S1B C66 137.8(3) . . ?
N2 S1B C69 115.0(3) . . ?
N1 S1B C69 138.2(3) . . ?
N3 S1B C69 42.3(2) . . ?
C66 S1B C69 126.4(3) . . ?
N5 S2B N6 102.3(5) . . ?
N5 S2B N4 95.9(4) . . ?
N6 S2B N4 106.9(4) . . ?
N5 S2B C75 120.5(5) . . ?
N6 S2B C75 47.5(3) . . ?
N4 S2B C75 137.1(4) . . ?
N5 S2B C71 112.0(4) . . ?
N6 S2B C71 135.5(4) . . ?
N4 S2B C71 43.9(2) . . ?
C75 S2B C71 124.4(4) . . ?
C16 C15_1 C14 120.1(4) . . ?
C16 C15_1 H15A_1 120.0 . . ?
C14 C15_1 H15A_1 120.0 . . ?

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
F1 Sb1 O1 C19 67.7(3) . . . . ?
O2 Sb1 O1 C19 -13.3(3) . . . . ?
C1 Sb1 O1 C19 156.2(3) . . . . ?
C7 Sb1 O1 C19 -37.6(11) . . . . ?
C18 Sb1 O1 C19 -105.4(3) . . . . ?
F1 Sb1 O2 C32 -76.2(3) . . . . ?
O1 Sb1 O2 C32 14.3(2) . . . . ?
C1 Sb1 O2 C32 -18.7(5) . . . . ?
C7 Sb1 O2 C32 -168.8(3) . . . . ?
C18 Sb1 O2 C32 108.9(3) . . . . ?
F2 Sb2 O5 C51 -70.2(3) . . . . ?
O6 Sb2 O5 C51 11.0(2) . . . . ?
C33 Sb2 O5 C51 -157.9(3) . . . . ?
C50 Sb2 O5 C51 36.3(10) . . . . ?
C39 Sb2 O5 C51 100.2(3) . . . . ?
F2 Sb2 O6 C64 77.6(3) . . . . ?
O5 Sb2 O6 C64 -12.1(2) . . . . ?
C33 Sb2 O6 C64 28.1(6) . . . . ?
C50 Sb2 O6 C64 171.4(3) . . . . ?
C39 Sb2 O6 C64 -106.6(3) . . . . ?
F1 Sb1 C1 C6 40.3(3) . . . . ?
O1 Sb1 C1 C6 -48.4(3) . . . . ?
O2 Sb1 C1 C6 -16.1(6) . . . . ?
C7 Sb1 C1 C6 133.4(3) . . . . ?
C18 Sb1 C1 C6 -143.0(3) . . . . ?
F1 Sb1 C1 C2 -139.5(3) . . . . ?
O1 Sb1 C1 C2 131.8(3) . . . . ?
O2 Sb1 C1 C2 164.1(3) . . . . ?
C7 Sb1 C1 C2 -46.4(3) . . . . ?
C18 Sb1 C1 C2 37.2(3) . . . . ?
C6 C1 C2 C3 0.3(6) . . . . ?
Sb1 C1 C2 C3 -179.9(3) . . . . ?
C1 C2 C3 C4 0.7(6) . . . . ?
C2 C3 C4 C5 -1.3(6) . . . . ?
C3 C4 C5 C6 0.9(6) . . . . ?
C2 C1 C6 C5 -0.7(6) . . . . ?
Sb1 C1 C6 C5 179.5(3) . . . . ?
C4 C5 C6 C1 0.1(6) . . . . ?
F1 Sb1 C7 C8 3.3(3) . . . . ?
O1 Sb1 C7 C8 108.3(10) . . . . ?
O2 Sb1 C7 C8 84.5(3) . . . . ?
C1 Sb1 C7 C8 -85.7(4) . . . . ?
C18 Sb1 C7 C8 176.9(4) . . . . ?
F1 Sb1 C7 C12 -179.7(3) . . . . ?
O1 Sb1 C7 C12 -74.8(10) . . . . ?
O2 Sb1 C7 C12 -98.5(3) . . . . ?
C1 Sb1 C7 C12 91.2(3) . . . . ?
C18 Sb1 C7 C12 -6.1(3) . . . . ?
C12 C7 C8 C9 3.2(6) . . . . ?
Sb1 C7 C8 C9 180.0(3) . . . . ?
C7 C8 C9 C10 -1.3(6) . . . . ?
C8 C9 C10 C11 -1.6(6) . . . . ?
C9 C10 C11 C12 2.4(7) . . . . ?
C10 C11 C12 C7 -0.5(6) . . . . ?
C10 C11 C12 C13 175.4(4) . . . . ?
C8 C7 C12 C11 -2.3(5) . . . . ?
Sb1 C7 C12 C11 -179.6(3) . . . . ?
C8 C7 C12 C13 -178.4(3) . . . . ?
Sb1 C7 C12 C13 4.3(4) . . . . ?
C11 C12 C13 C14 5.9(6) . . . . ?
C7 C12 C13 C14 -178.2(4) . . . . ?
C11 C12 C13 C18 -174.1(4) . . . . ?
C7 C12 C13 C18 1.9(5) . . . . ?
C18 C13 C14 C15_1 1.3(6) . . . . ?
C12 C13 C14 C15_1 -178.6(4) . . . . ?
C15_1 C16 C17 C18 1.8(6) . . . . ?
C16 C17 C18 C13 0.1(6) . . . . ?
C16 C17 C18 Sb1 -173.6(3) . . . . ?
C14 C13 C18 C17 -1.7(6) . . . . ?
C12 C13 C18 C17 178.3(3) . . . . ?
C14 C13 C18 Sb1 173.0(3) . . . . ?
C12 C13 C18 Sb1 -7.0(4) . . . . ?
F1 Sb1 C18 C17 -123.8(8) . . . . ?
O1 Sb1 C18 C17 -5.8(4) . . . . ?
O2 Sb1 C18 C17 -83.7(4) . . . . ?
C1 Sb1 C18 C17 80.8(4) . . . . ?
C7 Sb1 C18 C17 -178.7(4) . . . . ?
F1 Sb1 C18 C13 62.0(10) . . . . ?
O1 Sb1 C18 C13 -180.0(3) . . . . ?
O2 Sb1 C18 C13 102.2(3) . . . . ?
C1 Sb1 C18 C13 -93.3(3) . . . . ?
C7 Sb1 C18 C13 7.2(3) . . . . ?
Sb1 O1 C19 C20 -167.3(3) . . . . ?
Sb1 O1 C19 C32 10.7(4) . . . . ?
O1 C19 C20 C21 176.3(4) . . . . ?
C32 C19 C20 C21 -1.7(6) . . . . ?
C19 C20 C21 C22 1.1(6) . . . . ?
C20 C21 C22 C31 1.0(6) . . . . ?
C20 C21 C22 C23 -177.4(4) . . . . ?
C21 C22 C23 O3 -1.1(6) . . . . ?
C31 C22 C23 O3 -179.5(4) . . . . ?
C21 C22 C23 C24 176.8(3) . . . . ?
C31 C22 C23 C24 -1.6(5) . . . . ?
O3 C23 C24 C25 0.6(6) . . . . ?
C22 C23 C24 C25 -177.3(4) . . . . ?
O3 C23 C24 C29 -177.2(4) . . . . ?
C22 C23 C24 C29 4.9(5) . . . . ?
C29 C24 C25 C26 0.1(6) . . . . ?
C23 C24 C25 C26 -177.7(4) . . . . ?
C24 C25 C26 C27 1.4(6) . . . . ?
C25 C26 C27 C28 -1.0(7) . . . . ?
C26 C27 C28 C29 -0.9(7) . . . . ?
C27 C28 C29 C24 2.3(6) . . . . ?
C27 C28 C29 C30 -178.9(4) . . . . ?
C25 C24 C29 C28 -1.9(6) . . . . ?
C23 C24 C29 C28 175.8(4) . . . . ?
C25 C24 C29 C30 179.3(4) . . . . ?
C23 C24 C29 C30 -2.9(5) . . . . ?
C28 C29 C30 O4 -1.3(6) . . . . ?
C24 C29 C30 O4 177.5(4) . . . . ?
C28 C29 C30 C31 178.9(4) . . . . ?
C24 C29 C30 C31 -2.4(6) . . . . ?
C21 C22 C31 C32 -2.5(5) . . . . ?
C23 C22 C31 C32 175.8(3) . . . . ?
C21 C22 C31 C30 177.9(4) . . . . ?
C23 C22 C31 C30 -3.8(6) . . . . ?
O4 C30 C31 C32 6.3(6) . . . . ?
C29 C30 C31 C32 -173.9(3) . . . . ?
O4 C30 C31 C22 -174.1(4) . . . . ?
C29 C30 C31 C22 5.7(5) . . . . ?
Sb1 O2 C32 C31 166.5(3) . . . . ?
Sb1 O2 C32 C19 -13.2(4) . . . . ?
C22 C31 C32 O2 -177.8(3) . . . . ?
C30 C31 C32 O2 1.8(6) . . . . ?
C22 C31 C32 C19 1.9(5) . . . . ?
C30 C31 C32 C19 -178.5(4) . . . . ?
O1 C19 C32 O2 1.8(5) . . . . ?
C20 C19 C32 O2 179.9(3) . . . . ?
O1 C19 C32 C31 -177.9(3) . . . . ?
C20 C19 C32 C31 0.1(6) . . . . ?
F2 Sb2 C33 C38 120.9(3) . . . . ?
O5 Sb2 C33 C38 -151.2(3) . . . . ?
O6 Sb2 C33 C38 169.7(3) . . . . ?
C50 Sb2 C33 C38 26.8(3) . . . . ?
C39 Sb2 C33 C38 -56.9(3) . . . . ?
F2 Sb2 C33 C34 -51.5(3) . . . . ?
O5 Sb2 C33 C34 36.4(3) . . . . ?
O6 Sb2 C33 C34 -2.7(6) . . . . ?
C50 Sb2 C33 C34 -145.6(3) . . . . ?
C39 Sb2 C33 C34 130.7(3) . . . . ?
C38 C33 C34 C35 0.5(6) . . . . ?
Sb2 C33 C34 C35 173.1(3) . . . . ?
C33 C34 C35 C36 -0.9(6) . . . . ?
C34 C35 C36 C37 1.0(7) . . . . ?
C35 C36 C37 C38 -0.8(7) . . . . ?
C34 C33 C38 C37 -0.3(6) . . . . ?
Sb2 C33 C38 C37 -173.0(3) . . . . ?
C36 C37 C38 C33 0.5(7) . . . . ?
F2 Sb2 C39 C40 106.4(7) . . . . ?
O5 Sb2 C39 C40 3.2(3) . . . . ?
O6 Sb2 C39 C40 81.1(3) . . . . ?
C33 Sb2 C39 C40 -86.4(4) . . . . ?
C50 Sb2 C39 C40 175.7(4) . . . . ?
F2 Sb2 C39 C44 -72.0(8) . . . . ?
O5 Sb2 C39 C44 -175.2(2) . . . . ?
O6 Sb2 C39 C44 -97.3(2) . . . . ?
C33 Sb2 C39 C44 95.3(3) . . . . ?
C50 Sb2 C39 C44 -2.6(2) . . . . ?
C44 C39 C40 C41 -0.7(6) . . . . ?
Sb2 C39 C40 C41 -178.9(3) . . . . ?
C39 C40 C41 C42 1.0(6) . . . . ?
C40 C41 C42 C43 0.3(6) . . . . ?
C41 C42 C43 C44 -2.0(6) . . . . ?
C40 C39 C44 C43 -1.0(5) . . . . ?
Sb2 C39 C44 C43 177.5(3) . . . . ?
C40 C39 C44 C45 -179.7(3) . . . . ?
Sb2 C39 C44 C45 -1.1(4) . . . . ?
C42 C43 C44 C39 2.3(5) . . . . ?
C42 C43 C44 C45 -179.1(3) . . . . ?
C39 C44 C45 C46 -173.3(4) . . . . ?
C43 C44 C45 C46 8.1(5) . . . . ?
C39 C44 C45 C50 6.6(5) . . . . ?
C43 C44 C45 C50 -172.0(3) . . . . ?
C50 C45 C46 C47 2.8(6) . . . . ?
C44 C45 C46 C47 -177.4(4) . . . . ?
C45 C46 C47 C48 -0.4(6) . . . . ?
C46 C47 C48 C49 -2.5(6) . . . . ?
C47 C48 C49 C50 3.0(6) . . . . ?
C48 C49 C50 C45 -0.7(5) . . . . ?
C48 C49 C50 Sb2 -173.1(3) . . . . ?
C46 C45 C50 C49 -2.2(5) . . . . ?
C44 C45 C50 C49 177.9(3) . . . . ?
C46 C45 C50 Sb2 171.5(3) . . . . ?
C44 C45 C50 Sb2 -8.4(4) . . . . ?
F2 Sb2 C50 C49 -10.4(3) . . . . ?
O5 Sb2 C50 C49 -116.4(8) . . . . ?
O6 Sb2 C50 C49 -91.6(3) . . . . ?
C33 Sb2 C50 C49 78.0(3) . . . . ?
C39 Sb2 C50 C49 178.9(3) . . . . ?
F2 Sb2 C50 C45 176.7(2) . . . . ?
O5 Sb2 C50 C45 70.7(9) . . . . ?
O6 Sb2 C50 C45 95.5(2) . . . . ?
C33 Sb2 C50 C45 -95.0(3) . . . . ?
C39 Sb2 C50 C45 6.0(2) . . . . ?
Sb2 O5 C51 C52 170.9(3) . . . . ?
Sb2 O5 C51 C64 -8.8(4) . . . . ?
O5 C51 C52 C53 -177.8(4) . . . . ?
C64 C51 C52 C53 2.0(6) . . . . ?
C51 C52 C53 C54 -0.4(6) . . . . ?
C52 C53 C54 C63 -2.0(6) . . . . ?
C52 C53 C54 C55 175.9(4) . . . . ?
C53 C54 C55 O7 2.7(6) . . . . ?
C63 C54 C55 O7 -179.4(4) . . . . ?
C53 C54 C55 C56 -177.5(3) . . . . ?
C63 C54 C55 C56 0.4(6) . . . . ?
O7 C55 C56 C57 -2.5(6) . . . . ?
C54 C55 C56 C57 177.7(4) . . . . ?
O7 C55 C56 C61 174.6(4) . . . . ?
C54 C55 C56 C61 -5.2(5) . . . . ?
C61 C56 C57 C58 -1.8(6) . . . . ?
C55 C56 C57 C58 175.3(4) . . . . ?
C56 C57 C58 C59 -0.4(6) . . . . ?
C57 C58 C59 C60 1.6(7) . . . . ?
C58 C59 C60 C61 -0.5(6) . . . . ?
C59 C60 C61 C56 -1.8(6) . . . . ?
C59 C60 C61 C62 179.0(4) . . . . ?
C57 C56 C61 C60 2.9(6) . . . . ?
C55 C56 C61 C60 -174.2(3) . . . . ?
C57 C56 C61 C62 -177.8(4) . . . . ?
C55 C56 C61 C62 5.1(5) . . . . ?
C60 C61 C62 O8 -0.1(6) . . . . ?
C56 C61 C62 O8 -179.4(4) . . . . ?
C60 C61 C62 C63 179.1(3) . . . . ?
C56 C61 C62 C63 -0.2(5) . . . . ?
C53 C54 C63 C64 2.7(5) . . . . ?
C55 C54 C63 C64 -175.1(3) . . . . ?
C53 C54 C63 C62 -177.7(4) . . . . ?
C55 C54 C63 C62 4.6(6) . . . . ?
O8 C62 C63 C64 -5.9(6) . . . . ?
C61 C62 C63 C64 175.0(3) . . . . ?
O8 C62 C63 C54 174.5(4) . . . . ?
C61 C62 C63 C54 -4.7(5) . . . . ?
Sb2 O6 C64 C63 -169.0(3) . . . . ?
Sb2 O6 C64 C51 11.3(4) . . . . ?
C54 C63 C64 O6 179.2(3) . . . . ?
C62 C63 C64 O6 -0.5(6) . . . . ?
C54 C63 C64 C51 -1.1(5) . . . . ?
C62 C63 C64 C51 179.3(3) . . . . ?
O5 C51 C64 O6 -1.7(5) . . . . ?
C52 C51 C64 O6 178.5(3) . . . . ?
O5 C51 C64 C63 178.5(3) . . . . ?
C52 C51 C64 C63 -1.2(6) . . . . ?
C65 N1 C66 S1B -148.3(5) . . . . ?
S1A N1 C66 S1B 6.4(4) . . . . ?
C70 N3 C69 S1B 151.4(5) . . . . ?
S1A N3 C69 S1B -7.2(4) . . . . ?
C72 N4 C71 S2B 143.7(4) . . . . ?
S2A N4 C71 S2B -4.4(3) . . . . ?
C76 N6 C75 S2B -144.2(5) . . . . ?
S2A N6 C75 S2B 2.2(4) . . . . ?
C67 N2 S1A N1 53.4(4) . . . . ?
C68 N2 S1A N1 -170.5(4) . . . . ?
S1B N2 S1A N1 -56.5(2) . . . . ?
C67 N2 S1A N3 167.0(4) . . . . ?
C68 N2 S1A N3 -56.9(4) . . . . ?
S1B N2 S1A N3 57.1(2) . . . . ?
C65 N1 S1A N2 -153.9(4) . . . . ?
C66 N1 S1A N2 49.0(5) . . . . ?
S1B N1 S1A N2 57.4(2) . . . . ?
C65 N1 S1A N3 101.1(4) . . . . ?
C66 N1 S1A N3 -55.9(5) . . . . ?
S1B N1 S1A N3 -47.5(2) . . . . ?
C69 N3 S1A N2 -48.4(6) . . . . ?
C70 N3 S1A N2 150.8(4) . . . . ?
S1B N3 S1A N2 -57.9(2) . . . . ?
C69 N3 S1A N1 56.9(6) . . . . ?
C70 N3 S1A N1 -103.9(4) . . . . ?
S1B N3 S1A N1 47.3(2) . . . . ?
C71 N4 S2A N6 55.2(4) . . . . ?
C72 N4 S2A N6 -93.6(4) . . . . ?
S2B N4 S2A N6 49.4(3) . . . . ?
C71 N4 S2A N5 -49.4(4) . . . . ?
C72 N4 S2A N5 161.8(3) . . . . ?
S2B N4 S2A N5 -55.2(3) . . . . ?
C75 N6 S2A N4 -55.6(4) . . . . ?
C76 N6 S2A N4 93.0(4) . . . . ?
S2B N6 S2A N4 -52.9(4) . . . . ?
C75 N6 S2A N5 49.2(4) . . . . ?
C76 N6 S2A N5 -162.2(3) . . . . ?
S2B N6 S2A N5 51.9(4) . . . . ?
C73 N5 S2A N4 -57.4(4) . . . . ?
C74 N5 S2A N4 175.3(3) . . . . ?
S2B N5 S2A N4 63.3(4) . . . . ?
C73 N5 S2A N6 -175.4(3) . . . . ?
C74 N5 S2A N6 57.3(4) . . . . ?
S2B N5 S2A N6 -54.7(4) . . . . ?
C67 N2 S1B N1 -45.2(5) . . . . ?
C68 N2 S1B N1 153.5(5) . . . . ?
S1A N2 S1B N1 56.7(2) . . . . ?
C67 N2 S1B N3 -159.0(5) . . . . ?
C68 N2 S1B N3 39.7(6) . . . . ?
S1A N2 S1B N3 -57.1(2) . . . . ?
C67 N2 S1B C66 -4.1(6) . . . . ?
C68 N2 S1B C66 -165.4(5) . . . . ?
S1A N2 S1B C66 97.8(3) . . . . ?
C67 N2 S1B C69 160.4(5) . . . . ?
C68 N2 S1B C69 -1.0(7) . . . . ?
S1A N2 S1B C69 -97.8(3) . . . . ?
C65 N1 S1B N2 -109.4(7) . . . . ?
C66 N1 S1B N2 119.9(4) . . . . ?
S1A N1 S1B N2 -54.0(2) . . . . ?
C65 N1 S1B N3 -7.1(8) . . . . ?
C66 N1 S1B N3 -137.8(4) . . . . ?
S1A N1 S1B N3 48.3(3) . . . . ?
C65 N1 S1B C66 130.7(8) . . . . ?
S1A N1 S1B C66 -173.9(3) . . . . ?
C65 N1 S1B C69 34.8(9) . . . . ?
C66 N1 S1B C69 -95.9(5) . . . . ?
S1A N1 S1B C69 90.2(4) . . . . ?
C69 N3 S1B N2 -118.7(4) . . . . ?
C70 N3 S1B N2 106.2(8) . . . . ?
S1A N3 S1B N2 54.4(2) . . . . ?
C69 N3 S1B N1 138.6(4) . . . . ?
C70 N3 S1B N1 3.5(9) . . . . ?
S1A N3 S1B N1 -48.3(2) . . . . ?
C69 N3 S1B C66 95.8(5) . . . . ?
C70 N3 S1B C66 -39.3(10) . . . . ?
S1A N3 S1B C66 -91.1(4) . . . . ?
C70 N3 S1B C69 -135.1(10) . . . . ?
S1A N3 S1B C69 173.1(4) . . . . ?
N1 C66 S1B N2 -73.1(4) . . . . ?
N1 C66 S1B N3 68.2(5) . . . . ?
N1 C66 S1B C69 124.5(4) . . . . ?
N3 C69 S1B N2 73.5(5) . . . . ?
N3 C69 S1B N1 -66.9(5) . . . . ?
N3 C69 S1B C66 -123.9(4) . . . . ?
C73 N5 S2B N6 146.5(4) . . . . ?
C74 N5 S2B N6 -41.0(6) . . . . ?
S2A N5 S2B N6 55.3(3) . . . . ?
C73 N5 S2B N4 37.7(6) . . . . ?
C74 N5 S2B N4 -149.8(4) . . . . ?
S2A N5 S2B N4 -53.5(2) . . . . ?
C73 N5 S2B C75 -165.9(5) . . . . ?
C74 N5 S2B C75 6.6(7) . . . . ?
S2A N5 S2B C75 102.8(6) . . . . ?
C73 N5 S2B C71 -4.6(7) . . . . ?
C74 N5 S2B C71 168.0(4) . . . . ?
S2A N5 S2B C71 -95.8(4) . . . . ?
C75 N6 S2B N5 120.4(5) . . . . ?
C76 N6 S2B N5 -123.9(7) . . . . ?
S2A N6 S2B N5 -57.2(3) . . . . ?
C75 N6 S2B N4 -139.4(5) . . . . ?
C76 N6 S2B N4 -23.8(10) . . . . ?
S2A N6 S2B N4 43.0(3) . . . . ?
C76 N6 S2B C75 115.6(8) . . . . ?
S2A N6 S2B C75 -177.7(4) . . . . ?
C75 N6 S2B C71 -99.3(7) . . . . ?
C76 N6 S2B C71 16.3(12) . . . . ?
S2A N6 S2B C71 83.0(6) . . . . ?
C71 N4 S2B N5 -115.9(4) . . . . ?
C72 N4 S2B N5 129.0(6) . . . . ?
S2A N4 S2B N5 59.4(3) . . . . ?
C71 N4 S2B N6 139.4(5) . . . . ?
C72 N4 S2B N6 24.3(9) . . . . ?
S2A N4 S2B N6 -45.4(3) . . . . ?
C71 N4 S2B C75 94.6(7) . . . . ?
C72 N4 S2B C75 -20.5(11) . . . . ?
S2A N4 S2B C75 -90.2(7) . . . . ?
C72 N4 S2B C71 -115.1(7) . . . . ?
S2A N4 S2B C71 175.2(4) . . . . ?
N6 C75 S2B N5 -78.1(5) . . . . ?
N6 C75 S2B N4 66.1(7) . . . . ?
N6 C75 S2B C71 123.0(5) . . . . ?
N4 C71 S2B N5 74.9(5) . . . . ?
N4 C71 S2B N6 -62.7(6) . . . . ?
N4 C71 S2B C75 -124.6(5) . . . . ?
C17 C16 C15_1 C14 -2.2(7) . . . . ?
C13 C14 C15_1 C16 0.6(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        28.33
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         3.399
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.103
_database_code_depnum_ccdc_archive 'CCDC 984282'
