
data_global


data_120304c
#TrackingRef '120304c.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C108 H94 O13 Sb4'
_chemical_formula_weight         2086.83

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                   14.0440(13)
_cell_length_b                   42.816(3)
_cell_length_c                   17.3410(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.915(2)
_cell_angle_gamma                90.00
_cell_volume                     9456.8(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    13967
_cell_measurement_theta_min      2.3015
_cell_measurement_theta_max      25.9725

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.43
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4200
_exptl_absorpt_coefficient_mu    1.193
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6099
_exptl_absorpt_correction_T_max  0.6280
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      298(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            46810
_diffrn_reflns_av_R_equivalents  0.0594
_diffrn_reflns_av_sigmaI/netI    0.0780
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.30
_diffrn_reflns_theta_max         25.02
_reflns_number_total             16675
_reflns_number_gt                11749
_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)+(0.0000P)²+86.8287P] 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         16675
_refine_ls_number_parameters     1128
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1053
_refine_ls_R_factor_gt           0.0693
_refine_ls_wR_factor_ref         0.1497
_refine_ls_wR_factor_gt          0.1335
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_restrained_S_all      1.128
_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 0.35610(4) 0.188304(13) 0.37364(4) 0.02987(14) Uani 1 1 d . . .
Sb2 Sb 0.17909(4) 0.094865(13) 0.10631(4) 0.03269(15) Uani 1 1 d . . .
Sb3 Sb -0.16440(4) 0.091280(14) 0.24361(4) 0.03272(15) Uani 1 1 d . . .
Sb4 Sb 0.14742(5) 0.132023(14) 0.57474(4) 0.03516(16) Uani 1 1 d . . .
C1 C 0.2560(7) 0.22734(19) 0.3620(6) 0.034(2) Uani 1 1 d . . .
C2 C 0.2756(8) 0.2463(2) 0.4316(7) 0.055(3) Uani 1 1 d . . .
H2 H 0.3282 0.2407 0.4841 0.066 Uiso 1 1 calc R . .
C3 C 0.2199(10) 0.2732(3) 0.4255(8) 0.066(3) Uani 1 1 d . . .
H3 H 0.2347 0.2854 0.4735 0.079 Uiso 1 1 calc R . .
C4 C 0.1427(9) 0.2822(2) 0.3492(8) 0.060(3) Uani 1 1 d . . .
H4 H 0.1052 0.3005 0.3450 0.073 Uiso 1 1 calc R . .
C5 C 0.1211(8) 0.2639(2) 0.2785(8) 0.055(3) Uani 1 1 d . . .
H5 H 0.0685 0.2700 0.2266 0.066 Uiso 1 1 calc R . .
C6 C 0.1765(7) 0.2364(2) 0.2833(6) 0.043(2) Uani 1 1 d . . .
H6 H 0.1610 0.2243 0.2351 0.052 Uiso 1 1 calc R . .
C7 C 0.4939(7) 0.2054(2) 0.4781(6) 0.041(2) Uani 1 1 d . . .
C8 C 0.5689(8) 0.2211(3) 0.4621(7) 0.063(3) Uani 1 1 d . . .
H8 H 0.5590 0.2246 0.4062 0.076 Uiso 1 1 calc R . .
C9 C 0.6596(10) 0.2319(4) 0.5287(9) 0.093(5) Uani 1 1 d . . .
H9 H 0.7104 0.2424 0.5176 0.112 Uiso 1 1 calc R . .
C10 C 0.6736(10) 0.2270(3) 0.6097(9) 0.081(4) Uani 1 1 d . . .
H10 H 0.7347 0.2342 0.6539 0.098 Uiso 1 1 calc R . .
C11 C 0.6008(10) 0.2119(3) 0.6283(8) 0.075(4) Uani 1 1 d . . .
H11 H 0.6113 0.2090 0.6845 0.090 Uiso 1 1 calc R . .
C12 C 0.5109(8) 0.2009(3) 0.5622(6) 0.059(3) Uani 1 1 d . . .
H12 H 0.4609 0.1904 0.5743 0.071 Uiso 1 1 calc R . .
C13 C 0.3975(7) 0.1960(2) 0.2700(5) 0.036(2) Uani 1 1 d . . .
C14 C 0.4352(7) 0.1732(2) 0.2348(6) 0.046(2) Uani 1 1 d . . .
H14 H 0.4415 0.1528 0.2547 0.055 Uiso 1 1 calc R . .
C15 C 0.4637(9) 0.1804(3) 0.1703(7) 0.062(3) Uani 1 1 d . . .
H15 H 0.4891 0.1647 0.1469 0.074 Uiso 1 1 calc R . .
C16 C 0.4558(9) 0.2099(4) 0.1398(7) 0.074(4) Uani 1 1 d . . .
H16 H 0.4749 0.2142 0.0956 0.089 Uiso 1 1 calc R . .
C17 C 0.4197(10) 0.2334(3) 0.1743(8) 0.076(4) Uani 1 1 d . . .
H17 H 0.4171 0.2539 0.1556 0.092 Uiso 1 1 calc R . .
C18 C 0.3870(9) 0.2261(3) 0.2375(7) 0.060(3) Uani 1 1 d . . .
H18 H 0.3577 0.2416 0.2584 0.073 Uiso 1 1 calc R . .
C19 C 0.2876(6) 0.1405(2) 0.4591(5) 0.033(2) Uani 1 1 d . . .
C20 C 0.3548(7) 0.1231(2) 0.4216(6) 0.036(2) Uani 1 1 d . . .
H20 H 0.3094 0.1093 0.3758 0.043 Uiso 1 1 calc R . .
C21 C 0.4347(9) 0.1032(2) 0.4934(7) 0.047(3) Uani 1 1 d . . .
C22 C 0.5271(8) 0.1163(3) 0.5518(7) 0.063(3) Uani 1 1 d . . .
H22 H 0.5441 0.1368 0.5455 0.076 Uiso 1 1 calc R . .
C23 C 0.5953(10) 0.0981(4) 0.6209(8) 0.080(4) Uani 1 1 d . . .
H23 H 0.6571 0.1067 0.6611 0.096 Uiso 1 1 calc R . .
C24 C 0.5695(14) 0.0677(4) 0.6284(10) 0.096(5) Uani 1 1 d . . .
H24 H 0.6145 0.0558 0.6741 0.115 Uiso 1 1 calc R . .
C25 C 0.4792(14) 0.0544(4) 0.5702(11) 0.107(5) Uani 1 1 d . . .
H25 H 0.4643 0.0336 0.5754 0.128 Uiso 1 1 calc R . .
C26 C 0.4085(13) 0.0725(3) 0.5020(10) 0.098(5) Uani 1 1 d . . .
H26 H 0.3455 0.0640 0.4635 0.117 Uiso 1 1 calc R . .
C27 C 0.0729(8) 0.0640(2) 0.0116(6) 0.042(2) Uani 1 1 d . . .
C28 C 0.0966(10) 0.0555(3) -0.0543(7) 0.068(3) Uani 1 1 d . . .
H28 H 0.1569 0.0631 -0.0574 0.082 Uiso 1 1 calc R . .
C29 C 0.0288(13) 0.0349(3) -0.1178(8) 0.089(4) Uani 1 1 d . . .
H29 H 0.0452 0.0286 -0.1620 0.107 Uiso 1 1 calc R . .
C30 C -0.0593(11) 0.0246(3) -0.1139(9) 0.081(4) Uani 1 1 d . . .
H30 H -0.1039 0.0112 -0.1556 0.097 Uiso 1 1 calc R . .
C31 C -0.0834(10) 0.0336(3) -0.0500(9) 0.083(4) Uani 1 1 d . . .
H31 H -0.1445 0.0260 -0.0481 0.100 Uiso 1 1 calc R . .
C32 C -0.0189(8) 0.0539(3) 0.0137(7) 0.058(3) Uani 1 1 d . . .
H32 H -0.0377 0.0604 0.0565 0.069 Uiso 1 1 calc R . .
C33 C 0.2592(8) 0.1131(2) 0.0357(6) 0.044(2) Uani 1 1 d . . .
C34 C 0.3611(9) 0.1030(3) 0.0560(8) 0.070(4) Uani 1 1 d . . .
H34 H 0.3964 0.0907 0.1038 0.084 Uiso 1 1 calc R . .
C35 C 0.4098(11) 0.1116(4) 0.0034(10) 0.097(5) Uani 1 1 d . . .
H35 H 0.4774 0.1046 0.0156 0.116 Uiso 1 1 calc R . .
C36 C 0.3586(14) 0.1303(4) -0.0658(11) 0.104(6) Uani 1 1 d . . .
H36 H 0.3921 0.1367 -0.0993 0.125 Uiso 1 1 calc R . .
C37 C 0.2578(14) 0.1394(3) -0.0854(9) 0.090(5) Uani 1 1 d . . .
H37 H 0.2214 0.1511 -0.1342 0.108 Uiso 1 1 calc R . .
C38 C 0.2097(11) 0.1313(3) -0.0336(8) 0.082(4) Uani 1 1 d . . .
H38 H 0.1422 0.1384 -0.0464 0.099 Uiso 1 1 calc R . .
C39 C 0.2967(7) 0.0635(2) 0.1879(6) 0.034(2) Uani 1 1 d . . .
C40 C 0.3843(8) 0.0726(2) 0.2590(6) 0.048(3) Uani 1 1 d . . .
H40 H 0.3917 0.0932 0.2773 0.058 Uiso 1 1 calc R . .
C41 C 0.4610(8) 0.0510(3) 0.3029(8) 0.067(3) Uani 1 1 d . . .
H41 H 0.5195 0.0571 0.3511 0.081 Uiso 1 1 calc R . .
C42 C 0.4519(10) 0.0208(3) 0.2767(9) 0.076(4) Uani 1 1 d . . .
H42 H 0.5050 0.0067 0.3069 0.091 Uiso 1 1 calc R . .
C43 C 0.3660(11) 0.0107(3) 0.2066(10) 0.078(4) Uani 1 1 d . . .
H43 H 0.3597 -0.0101 0.1899 0.094 Uiso 1 1 calc R . .
C44 C 0.2886(8) 0.0324(2) 0.1612(8) 0.054(3) Uani 1 1 d . . .
H44 H 0.2308 0.0261 0.1126 0.065 Uiso 1 1 calc R . .
C45 C 0.1820(6) 0.14727(19) 0.2174(5) 0.0259(18) Uani 1 1 d . . .
C46 C 0.0713(6) 0.14695(18) 0.1454(5) 0.0296(19) Uani 1 1 d . . .
H46 H 0.0230 0.1390 0.1683 0.035 Uiso 1 1 calc R . .
C47 C 0.0356(7) 0.17913(19) 0.1109(5) 0.035(2) Uani 1 1 d . . .
C48 C -0.0462(8) 0.1940(3) 0.1216(8) 0.068(3) Uani 1 1 d . . .
H48 H -0.0817 0.1832 0.1481 0.082 Uiso 1 1 calc R . .
C49 C -0.0756(10) 0.2234(3) 0.0948(9) 0.081(4) Uani 1 1 d . . .
H49 H -0.1289 0.2328 0.1049 0.097 Uiso 1 1 calc R . .
C50 C -0.0285(11) 0.2393(3) 0.0536(8) 0.078(4) Uani 1 1 d . . .
H50 H -0.0525 0.2591 0.0320 0.094 Uiso 1 1 calc R . .
C51 C 0.0538(12) 0.2266(3) 0.0434(7) 0.075(4) Uani 1 1 d . . .
H51 H 0.0888 0.2381 0.0178 0.090 Uiso 1 1 calc R . .
C52 C 0.0861(9) 0.1961(2) 0.0712(7) 0.058(3) Uani 1 1 d . . .
H52 H 0.1416 0.1872 0.0630 0.069 Uiso 1 1 calc R . .
C53 C -0.2266(7) 0.0960(2) 0.3355(6) 0.042(2) Uani 1 1 d . . .
C54 C -0.3104(8) 0.1153(2) 0.3243(7) 0.054(3) Uani 1 1 d . . .
H54 H -0.3444 0.1258 0.2729 0.065 Uiso 1 1 calc R . .
C55 C -0.3449(10) 0.1193(4) 0.3864(10) 0.091(5) Uani 1 1 d . . .
H55 H -0.4029 0.1319 0.3765 0.109 Uiso 1 1 calc R . .
C56 C -0.2953(12) 0.1053(4) 0.4610(10) 0.102(5) Uani 1 1 d . . .
H56 H -0.3165 0.1087 0.5044 0.123 Uiso 1 1 calc R . .
C57 C -0.2115(13) 0.0854(4) 0.4744(10) 0.111(6) Uani 1 1 d . . .
H57 H -0.1773 0.0753 0.5264 0.133 Uiso 1 1 calc R . .
C58 C -0.1793(11) 0.0806(4) 0.4107(9) 0.091(5) Uani 1 1 d . . .
H58 H -0.1248 0.0667 0.4191 0.109 Uiso 1 1 calc R . .
C59 C -0.2363(6) 0.1296(2) 0.1591(6) 0.036(2) Uani 1 1 d . . .
C60 C -0.2827(8) 0.1234(3) 0.0730(6) 0.053(3) Uani 1 1 d . . .
H60 H -0.2775 0.1036 0.0533 0.064 Uiso 1 1 calc R . .
C61 C -0.3370(9) 0.1467(3) 0.0161(7) 0.068(3) Uani 1 1 d . . .
H61 H -0.3661 0.1427 -0.0421 0.082 Uiso 1 1 calc R . .
C62 C -0.3478(9) 0.1755(3) 0.0456(7) 0.059(3) Uani 1 1 d . . .
H62 H -0.3877 0.1908 0.0076 0.071 Uiso 1 1 calc R . .
C63 C -0.3004(8) 0.1819(2) 0.1306(7) 0.051(3) Uani 1 1 d . . .
H63 H -0.3042 0.2018 0.1502 0.062 Uiso 1 1 calc R . .
C64 C -0.2467(7) 0.1586(2) 0.1873(6) 0.045(2) Uani 1 1 d . . .
H64 H -0.2173 0.1627 0.2454 0.054 Uiso 1 1 calc R . .
C65 C -0.2553(7) 0.0528(2) 0.1708(6) 0.043(2) Uani 1 1 d . . .
C66 C -0.2194(10) 0.0327(3) 0.1290(9) 0.082(4) Uani 1 1 d . . .
H66 H -0.1531 0.0360 0.1308 0.098 Uiso 1 1 calc R . .
C67 C -0.2775(11) 0.0071(3) 0.0835(10) 0.090(5) Uani 1 1 d . . .
H67 H -0.2514 -0.0062 0.0545 0.107 Uiso 1 1 calc R . .
C68 C -0.3752(9) 0.0022(3) 0.0828(8) 0.073(4) Uani 1 1 d . . .
H68 H -0.4159 -0.0147 0.0532 0.087 Uiso 1 1 calc R . .
C69 C -0.4109(10) 0.0218(3) 0.1247(9) 0.078(4) Uani 1 1 d . . .
H69 H -0.4763 0.0181 0.1245 0.094 Uiso 1 1 calc R . .
C70 C -0.3532(9) 0.0473(3) 0.1684(8) 0.073(4) Uani 1 1 d . . .
H70 H -0.3804 0.0608 0.1962 0.087 Uiso 1 1 calc R . .
C71 C 0.0316(6) 0.07768(18) 0.2262(6) 0.032(2) Uani 1 1 d . . .
C72 C 0.0466(6) 0.0643(2) 0.3116(6) 0.033(2) Uani 1 1 d . . .
H72 H 0.0970 0.0776 0.3560 0.039 Uiso 1 1 calc R . .
C73 C 0.0904(7) 0.0314(2) 0.3259(6) 0.035(2) Uani 1 1 d . . .
C74 C 0.1923(8) 0.0260(2) 0.3354(7) 0.056(3) Uani 1 1 d . . .
H74 H 0.2335 0.0425 0.3320 0.067 Uiso 1 1 calc R . .
C75 C 0.2320(11) -0.0041(3) 0.3500(9) 0.081(4) Uani 1 1 d . . .
H75 H 0.2996 -0.0078 0.3549 0.098 Uiso 1 1 calc R . .
C76 C 0.1741(13) -0.0285(3) 0.3575(9) 0.093(5) Uani 1 1 d . . .
H76 H 0.2022 -0.0485 0.3677 0.112 Uiso 1 1 calc R . .
C77 C 0.0748(11) -0.0234(3) 0.3498(8) 0.072(4) Uani 1 1 d . . .
H77 H 0.0354 -0.0399 0.3559 0.087 Uiso 1 1 calc R . .
C78 C 0.0323(9) 0.0065(2) 0.3329(7) 0.053(3) Uani 1 1 d . . .
H78 H -0.0363 0.0097 0.3263 0.064 Uiso 1 1 calc R . .
C79 C 0.1869(8) 0.0833(2) 0.6017(6) 0.044(2) Uani 1 1 d . . .
C80 C 0.2572(10) 0.0760(3) 0.6835(8) 0.077(4) Uani 1 1 d . . .
H80 H 0.2882 0.0918 0.7230 0.093 Uiso 1 1 calc R . .
C81 C 0.2815(13) 0.0449(4) 0.7066(10) 0.106(6) Uani 1 1 d . . .
H81 H 0.3283 0.0400 0.7619 0.128 Uiso 1 1 calc R . .
C82 C 0.2372(13) 0.0216(3) 0.6487(10) 0.093(5) Uani 1 1 d . . .
H82 H 0.2529 0.0008 0.6643 0.112 Uiso 1 1 calc R . .
C83 C 0.1701(11) 0.0292(3) 0.5685(9) 0.081(4) Uani 1 1 d . . .
H83 H 0.1415 0.0134 0.5286 0.097 Uiso 1 1 calc R . .
C84 C 0.1421(9) 0.0604(3) 0.5436(7) 0.060(3) Uani 1 1 d . . .
H84 H 0.0940 0.0651 0.4886 0.071 Uiso 1 1 calc R . .
C85 C 0.0420(8) 0.1370(2) 0.6334(6) 0.048(3) Uani 1 1 d . . .
C86 C -0.0150(9) 0.1637(3) 0.6230(8) 0.074(4) Uani 1 1 d . . .
H86 H -0.0064 0.1799 0.5908 0.089 Uiso 1 1 calc R . .
C87 C -0.0862(11) 0.1673(5) 0.6599(10) 0.108(6) Uani 1 1 d . . .
H87 H -0.1246 0.1856 0.6520 0.130 Uiso 1 1 calc R . .
C88 C -0.0983(14) 0.1437(5) 0.7071(12) 0.117(6) Uani 1 1 d . . .
H88 H -0.1462 0.1458 0.7309 0.140 Uiso 1 1 calc R . .
C89 C -0.0404(15) 0.1166(4) 0.7204(11) 0.111(6) Uani 1 1 d . . .
H89 H -0.0481 0.1008 0.7539 0.134 Uiso 1 1 calc R . .
C90 C 0.0306(10) 0.1131(3) 0.6829(9) 0.078(4) Uani 1 1 d . . .
H90 H 0.0697 0.0949 0.6914 0.094 Uiso 1 1 calc R . .
C91 C 0.2857(7) 0.1538(2) 0.6668(5) 0.037(2) Uani 1 1 d . . .
C92 C 0.2764(9) 0.1772(2) 0.7174(6) 0.054(3) Uani 1 1 d . . .
H92 H 0.2102 0.1838 0.7104 0.065 Uiso 1 1 calc R . .
C93 C 0.3655(10) 0.1910(3) 0.7789(7) 0.061(3) Uani 1 1 d . . .
H93 H 0.3583 0.2071 0.8120 0.073 Uiso 1 1 calc R . .
C94 C 0.4632(10) 0.1812(3) 0.7915(7) 0.067(3) Uani 1 1 d . . .
H94 H 0.5225 0.1901 0.8340 0.081 Uiso 1 1 calc R . .
C95 C 0.4733(8) 0.1580(3) 0.7410(7) 0.064(3) Uani 1 1 d . . .
H95 H 0.5400 0.1518 0.7484 0.077 Uiso 1 1 calc R . .
C96 C 0.3855(8) 0.1437(3) 0.6789(6) 0.053(3) Uani 1 1 d . . .
H96 H 0.3932 0.1276 0.6459 0.064 Uiso 1 1 calc R . .
C97 C 0.0069(6) 0.1364(2) 0.3940(5) 0.031(2) Uani 1 1 d . . .
C98 C 0.0435(6) 0.1696(2) 0.4205(5) 0.034(2) Uani 1 1 d . . .
H98 H 0.0883 0.1759 0.3926 0.040 Uiso 1 1 calc R . .
C99 C -0.0494(7) 0.1916(2) 0.3928(6) 0.036(2) Uani 1 1 d . . .
C100 C -0.0492(9) 0.2193(2) 0.3529(6) 0.057(3) Uani 1 1 d . . .
H100 H 0.0089 0.2244 0.3428 0.069 Uiso 1 1 calc R . .
C101 C -0.1326(13) 0.2395(3) 0.3276(8) 0.088(5) Uani 1 1 d . . .
H101 H -0.1307 0.2584 0.3018 0.106 Uiso 1 1 calc R . .
C102 C -0.2186(12) 0.2315(4) 0.3410(9) 0.096(6) Uani 1 1 d . . .
H102 H -0.2760 0.2449 0.3230 0.115 Uiso 1 1 calc R . .
C103 C -0.2218(9) 0.2041(3) 0.3802(8) 0.072(4) Uani 1 1 d . . .
H103 H -0.2809 0.1991 0.3890 0.086 Uiso 1 1 calc R . .
C104 C -0.1370(7) 0.1839(3) 0.4067(7) 0.051(3) Uani 1 1 d . . .
H104 H -0.1387 0.1652 0.4336 0.062 Uiso 1 1 calc R . .
C105 C 0.5892(19) 0.4214(5) 0.3525(14) 0.166(9) Uani 1 1 d . . .
H10A H 0.5468 0.4206 0.2923 0.248 Uiso 1 1 calc R . .
H10B H 0.5883 0.4423 0.3727 0.248 Uiso 1 1 calc R . .
H10C H 0.5616 0.4072 0.3807 0.248 Uiso 1 1 calc R . .
C106 C 0.698(2) 0.4125(6) 0.3705(15) 0.151(8) Uani 1 1 d . . .
H10D H 0.7206 0.4244 0.3334 0.181 Uiso 1 1 calc R . .
H10E H 0.7435 0.4183 0.4287 0.181 Uiso 1 1 calc R . .
C107 C 0.809(2) 0.3673(6) 0.3886(16) 0.151(8) Uani 1 1 d . . .
H10F H 0.8472 0.3731 0.4479 0.181 Uiso 1 1 calc R . .
H10G H 0.8456 0.3767 0.3576 0.181 Uiso 1 1 calc R . .
C108 C 0.8140(17) 0.3346(6) 0.3822(14) 0.156(8) Uani 1 1 d . . .
H10H H 0.7735 0.3249 0.4086 0.235 Uiso 1 1 calc R . .
H10I H 0.8857 0.3278 0.4104 0.235 Uiso 1 1 calc R . .
H10J H 0.7860 0.3287 0.3234 0.235 Uiso 1 1 calc R . .
O1 O 0.4050(4) 0.14406(13) 0.3894(3) 0.0326(14) Uani 1 1 d . . .
O2 O 0.2899(4) 0.17001(12) 0.4571(4) 0.0301(13) Uani 1 1 d . . .
O3 O 0.2371(5) 0.12400(14) 0.4880(4) 0.0392(15) Uani 1 1 d . . .
O4 O 0.0675(4) 0.12648(13) 0.0800(4) 0.0371(15) Uani 1 1 d . . .
O5 O 0.2467(4) 0.12810(13) 0.2108(4) 0.0347(14) Uani 1 1 d . . .
O6 O 0.2000(4) 0.16587(13) 0.2762(3) 0.0312(13) Uani 1 1 d . . .
O7 O -0.0475(4) 0.06489(13) 0.3209(4) 0.0341(14) Uani 1 1 d . . .
O8 O -0.0587(4) 0.08867(13) 0.1798(4) 0.0340(14) Uani 1 1 d . . .
O9 O 0.1079(4) 0.07754(14) 0.2071(4) 0.0392(15) Uani 1 1 d . . .
O10 O 0.1028(5) 0.17149(13) 0.5095(4) 0.0370(14) Uani 1 1 d . . .
O11 O 0.0277(5) 0.11631(13) 0.4520(4) 0.0371(14) Uani 1 1 d . . .
O12 O -0.0452(4) 0.13113(13) 0.3159(4) 0.0333(14) Uani 1 1 d . . .
O13 O 0.7120(14) 0.3797(5) 0.3594(10) 0.152(5) Uani 1 1 d . . .


_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 1.994(6) . ?
Sb1 C13 2.136(8) . ?
Sb1 C1 2.138(8) . ?
Sb1 C7 2.147(9) . ?
Sb1 O2 2.170(5) . ?
Sb1 O6 2.337(6) . ?
Sb2 O4 1.973(6) . ?
Sb2 C33 2.129(10) . ?
Sb2 C39 2.137(9) . ?
Sb2 C27 2.146(9) . ?
Sb2 O5 2.181(6) . ?
Sb2 O9 2.465(6) . ?
Sb3 O7 1.979(5) . ?
Sb3 C53 2.125(9) . ?
Sb3 C65 2.140(10) . ?
Sb3 C59 2.149(9) . ?
Sb3 O8 2.197(5) . ?
Sb3 O12 2.349(6) . ?
Sb4 O10 1.982(6) . ?
Sb4 C85 2.131(10) . ?
Sb4 C91 2.139(9) . ?
Sb4 C79 2.158(9) . ?
Sb4 O11 2.190(6) . ?
Sb4 O3 2.359(6) . ?
C1 C2 1.383(12) . ?
C1 C6 1.406(12) . ?
C2 C3 1.372(14) . ?
C2 H2 0.9300 . ?
C3 C4 1.365(16) . ?
C3 H3 0.9300 . ?
C4 C5 1.376(15) . ?
C4 H4 0.9300 . ?
C5 C6 1.394(13) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.374(14) . ?
C7 C12 1.389(14) . ?
C8 C9 1.389(15) . ?
C8 H8 0.9300 . ?
C9 C10 1.349(18) . ?
C9 H9 0.9300 . ?
C10 C11 1.359(17) . ?
C10 H10 0.9300 . ?
C11 C12 1.383(15) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.371(13) . ?
C13 C18 1.388(13) . ?
C14 C15 1.373(13) . ?
C14 H14 0.9300 . ?
C15 C16 1.354(16) . ?
C15 H15 0.9300 . ?
C16 C17 1.373(17) . ?
C16 H16 0.9300 . ?
C17 C18 1.392(14) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 O3 1.246(10) . ?
C19 O2 1.266(10) . ?
C19 C20 1.544(12) . ?
C20 O1 1.395(10) . ?
C20 C21 1.535(12) . ?
C20 H20 0.9800 . ?
C21 C22 1.384(15) . ?
C21 C26 1.389(17) . ?
C22 C23 1.411(15) . ?
C22 H22 0.9300 . ?
C23 C24 1.374(19) . ?
C23 H23 0.9300 . ?
C24 C25 1.37(2) . ?
C24 H24 0.9300 . ?
C25 C26 1.411(19) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C28 1.369(14) . ?
C27 C32 1.375(13) . ?
C28 C29 1.417(16) . ?
C28 H28 0.9300 . ?
C29 C30 1.341(18) . ?
C29 H29 0.9300 . ?
C30 C31 1.343(18) . ?
C30 H30 0.9300 . ?
C31 C32 1.398(15) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C38 1.353(15) . ?
C33 C34 1.390(14) . ?
C34 C35 1.401(15) . ?
C34 H34 0.9300 . ?
C35 C36 1.366(19) . ?
C35 H35 0.9300 . ?
C36 C37 1.365(19) . ?
C36 H36 0.9300 . ?
C37 C38 1.377(17) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C40 1.380(13) . ?
C39 C44 1.400(13) . ?
C40 C41 1.380(14) . ?
C40 H40 0.9300 . ?
C41 C42 1.355(17) . ?
C41 H41 0.9300 . ?
C42 C43 1.373(17) . ?
C42 H42 0.9300 . ?
C43 C44 1.395(15) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C45 O6 1.233(9) . ?
C45 O5 1.265(9) . ?
C45 C46 1.530(11) . ?
C46 O4 1.416(10) . ?
C46 C47 1.502(11) . ?
C46 H46 0.9800 . ?
C47 C52 1.383(13) . ?
C47 C48 1.393(13) . ?
C48 C49 1.347(15) . ?
C48 H48 0.9300 . ?
C49 C50 1.346(18) . ?
C49 H49 0.9300 . ?
C50 C51 1.355(17) . ?
C50 H50 0.9300 . ?
C51 C52 1.400(14) . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
C53 C58 1.360(15) . ?
C53 C54 1.381(13) . ?
C54 C55 1.365(15) . ?
C54 H54 0.9300 . ?
C55 C56 1.327(18) . ?
C55 H55 0.9300 . ?
C56 C57 1.390(19) . ?
C56 H56 0.9300 . ?
C57 C58 1.374(17) . ?
C57 H57 0.9300 . ?
C58 H58 0.9300 . ?
C59 C64 1.362(13) . ?
C59 C60 1.381(13) . ?
C60 C61 1.383(14) . ?
C60 H60 0.9300 . ?
C61 C62 1.368(15) . ?
C61 H61 0.9300 . ?
C62 C63 1.364(14) . ?
C62 H62 0.9300 . ?
C63 C64 1.381(13) . ?
C63 H63 0.9300 . ?
C64 H64 0.9300 . ?
C65 C66 1.352(14) . ?
C65 C70 1.379(13) . ?
C66 C67 1.394(16) . ?
C66 H66 0.9300 . ?
C67 C68 1.382(17) . ?
C67 H67 0.9300 . ?
C68 C69 1.340(17) . ?
C68 H68 0.9300 . ?
C69 C70 1.384(16) . ?
C69 H69 0.9300 . ?
C70 H70 0.9300 . ?
C71 O9 1.248(10) . ?
C71 O8 1.272(10) . ?
C71 C72 1.517(12) . ?
C72 O7 1.397(9) . ?
C72 C73 1.514(11) . ?
C72 H72 0.9800 . ?
C73 C78 1.381(13) . ?
C73 C74 1.389(13) . ?
C74 C75 1.386(15) . ?
C74 H74 0.9300 . ?
C75 C76 1.362(18) . ?
C75 H75 0.9300 . ?
C76 C77 1.362(17) . ?
C76 H76 0.9300 . ?
C77 C78 1.388(14) . ?
C77 H77 0.9300 . ?
C78 H78 0.9300 . ?
C79 C84 1.357(14) . ?
C79 C80 1.380(14) . ?
C80 C81 1.390(17) . ?
C80 H80 0.9300 . ?
C81 C82 1.366(19) . ?
C81 H81 0.9300 . ?
C82 C83 1.351(18) . ?
C82 H82 0.9300 . ?
C83 C84 1.405(14) . ?
C83 H83 0.9300 . ?
C84 H84 0.9300 . ?
C85 C86 1.365(15) . ?
C85 C90 1.386(15) . ?
C86 C87 1.404(16) . ?
C86 H86 0.9300 . ?
C87 C88 1.36(2) . ?
C87 H87 0.9300 . ?
C88 C89 1.38(2) . ?
C88 H88 0.9300 . ?
C89 C90 1.409(17) . ?
C89 H89 0.9300 . ?
C90 H90 0.9300 . ?
C91 C92 1.376(13) . ?
C91 C96 1.394(13) . ?
C92 C93 1.388(14) . ?
C92 H92 0.9300 . ?
C93 C94 1.363(16) . ?
C93 H93 0.9300 . ?
C94 C95 1.368(16) . ?
C94 H94 0.9300 . ?
C95 C96 1.393(15) . ?
C95 H95 0.9300 . ?
C96 H96 0.9300 . ?
C97 O12 1.259(10) . ?
C97 O11 1.262(10) . ?
C97 C98 1.513(12) . ?
C98 O10 1.415(10) . ?
C98 C99 1.515(11) . ?
C98 H98 0.9800 . ?
C99 C100 1.374(13) . ?
C99 C104 1.389(13) . ?
C100 C101 1.373(16) . ?
C100 H100 0.9300 . ?
C101 C102 1.37(2) . ?
C101 H101 0.9300 . ?
C102 C103 1.36(2) . ?
C102 H102 0.9300 . ?
C103 C104 1.385(15) . ?
C103 H103 0.9300 . ?
C104 H104 0.9300 . ?
C105 C106 1.48(3) . ?
C105 H10A 0.9600 . ?
C105 H10B 0.9600 . ?
C105 H10C 0.9600 . ?
C106 O13 1.44(2) . ?
C106 H10D 0.9700 . ?
C106 H10E 0.9700 . ?
C107 O13 1.35(2) . ?
C107 C108 1.41(3) . ?
C107 H10F 0.9700 . ?
C107 H10G 0.9700 . ?
C108 H10H 0.9600 . ?
C108 H10I 0.9600 . ?
C108 H10J 0.9600 . ?

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 C13 93.6(3) . . ?
O1 Sb1 C1 158.5(3) . . ?
C13 Sb1 C1 101.6(3) . . ?
O1 Sb1 C7 94.2(3) . . ?
C13 Sb1 C7 100.9(4) . . ?
C1 Sb1 C7 97.8(3) . . ?
O1 Sb1 O2 77.6(2) . . ?
C13 Sb1 O2 164.3(3) . . ?
C1 Sb1 O2 84.0(3) . . ?
C7 Sb1 O2 92.7(3) . . ?
O1 Sb1 O6 82.7(2) . . ?
C13 Sb1 O6 87.7(3) . . ?
C1 Sb1 O6 82.8(3) . . ?
C7 Sb1 O6 171.0(3) . . ?
O2 Sb1 O6 78.4(2) . . ?
O4 Sb2 C33 100.2(3) . . ?
O4 Sb2 C39 154.3(3) . . ?
C33 Sb2 C39 99.4(3) . . ?
O4 Sb2 C27 91.0(3) . . ?
C33 Sb2 C27 98.7(4) . . ?
C39 Sb2 C27 102.4(4) . . ?
O4 Sb2 O5 76.7(2) . . ?
C33 Sb2 O5 95.0(3) . . ?
C39 Sb2 O5 85.1(3) . . ?
C27 Sb2 O5 163.0(3) . . ?
O4 Sb2 O9 81.4(2) . . ?
C33 Sb2 O9 171.2(3) . . ?
C39 Sb2 O9 76.9(3) . . ?
C27 Sb2 O9 89.9(3) . . ?
O5 Sb2 O9 76.8(2) . . ?
O7 Sb3 C53 91.9(3) . . ?
O7 Sb3 C65 94.5(3) . . ?
C53 Sb3 C65 100.7(4) . . ?
O7 Sb3 C59 156.4(3) . . ?
C53 Sb3 C59 102.4(4) . . ?
C65 Sb3 C59 101.2(4) . . ?
O7 Sb3 O8 76.6(2) . . ?
C53 Sb3 O8 164.0(3) . . ?
C65 Sb3 O8 91.4(3) . . ?
C59 Sb3 O8 85.3(3) . . ?
O7 Sb3 O12 81.5(2) . . ?
C53 Sb3 O12 87.5(3) . . ?
C65 Sb3 O12 171.1(3) . . ?
C59 Sb3 O12 80.4(3) . . ?
O8 Sb3 O12 79.9(2) . . ?
O10 Sb4 C85 94.1(3) . . ?
O10 Sb4 C91 91.4(3) . . ?
C85 Sb4 C91 101.3(4) . . ?
O10 Sb4 C79 159.7(3) . . ?
C85 Sb4 C79 99.2(4) . . ?
C91 Sb4 C79 100.9(4) . . ?
O10 Sb4 O11 77.2(2) . . ?
C85 Sb4 O11 95.2(3) . . ?
C91 Sb4 O11 160.6(3) . . ?
C79 Sb4 O11 86.3(3) . . ?
O10 Sb4 O3 83.4(2) . . ?
C85 Sb4 O3 169.7(3) . . ?
C91 Sb4 O3 88.7(3) . . ?
C79 Sb4 O3 80.8(3) . . ?
O11 Sb4 O3 74.5(2) . . ?
C2 C1 C6 118.0(8) . . ?
C2 C1 Sb1 119.7(7) . . ?
C6 C1 Sb1 122.0(6) . . ?
C3 C2 C1 121.9(10) . . ?
C3 C2 H2 119.0 . . ?
C1 C2 H2 119.0 . . ?
C4 C3 C2 120.4(11) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 119.3(10) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C4 C5 C6 121.3(10) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C5 C6 C1 119.1(9) . . ?
C5 C6 H6 120.4 . . ?
C1 C6 H6 120.4 . . ?
C8 C7 C12 118.3(9) . . ?
C8 C7 Sb1 119.5(8) . . ?
C12 C7 Sb1 122.3(7) . . ?
C7 C8 C9 120.4(11) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C10 C9 C8 119.7(12) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 121.7(12) . . ?
C9 C10 H10 119.1 . . ?
C11 C10 H10 119.1 . . ?
C10 C11 C12 118.7(12) . . ?
C10 C11 H11 120.6 . . ?
C12 C11 H11 120.6 . . ?
C11 C12 C7 121.1(11) . . ?
C11 C12 H12 119.4 . . ?
C7 C12 H12 119.4 . . ?
C14 C13 C18 118.5(8) . . ?
C14 C13 Sb1 123.9(7) . . ?
C18 C13 Sb1 117.7(7) . . ?
C13 C14 C15 120.1(10) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 121.6(11) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C15 C16 C17 119.9(11) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C16 C17 C18 118.9(11) . . ?
C16 C17 H17 120.5 . . ?
C18 C17 H17 120.5 . . ?
C13 C18 C17 120.9(10) . . ?
C13 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
O3 C19 O2 127.0(8) . . ?
O3 C19 C20 116.7(8) . . ?
O2 C19 C20 116.3(7) . . ?
O1 C20 C21 111.3(8) . . ?
O1 C20 C19 111.1(7) . . ?
C21 C20 C19 107.1(7) . . ?
O1 C20 H20 109.1 . . ?
C21 C20 H20 109.1 . . ?
C19 C20 H20 109.1 . . ?
C22 C21 C26 120.9(11) . . ?
C22 C21 C20 120.5(9) . . ?
C26 C21 C20 118.4(11) . . ?
C21 C22 C23 119.3(12) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 H22 120.4 . . ?
C24 C23 C22 119.5(14) . . ?
C24 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
C25 C24 C23 121.5(15) . . ?
C25 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C24 C25 C26 119.8(16) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C21 C26 C25 119.0(15) . . ?
C21 C26 H26 120.5 . . ?
C25 C26 H26 120.5 . . ?
C28 C27 C32 119.9(10) . . ?
C28 C27 Sb2 117.9(8) . . ?
C32 C27 Sb2 122.1(7) . . ?
C27 C28 C29 119.6(12) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C30 C29 C28 119.8(12) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C29 C30 C31 120.4(12) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 H30 119.8 . . ?
C30 C31 C32 121.7(13) . . ?
C30 C31 H31 119.2 . . ?
C32 C31 H31 119.2 . . ?
C27 C32 C31 118.5(11) . . ?
C27 C32 H32 120.7 . . ?
C31 C32 H32 120.7 . . ?
C38 C33 C34 119.5(10) . . ?
C38 C33 Sb2 121.6(9) . . ?
C34 C33 Sb2 118.6(8) . . ?
C33 C34 C35 119.1(12) . . ?
C33 C34 H34 120.4 . . ?
C35 C34 H34 120.4 . . ?
C36 C35 C34 120.3(13) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C37 C36 C35 119.5(13) . . ?
C37 C36 H36 120.2 . . ?
C35 C36 H36 120.2 . . ?
C36 C37 C38 120.5(13) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
C33 C38 C37 121.0(13) . . ?
C33 C38 H38 119.5 . . ?
C37 C38 H38 119.5 . . ?
C40 C39 C44 118.7(9) . . ?
C40 C39 Sb2 124.4(7) . . ?
C44 C39 Sb2 116.5(7) . . ?
C41 C40 C39 120.0(10) . . ?
C41 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
C42 C41 C40 120.8(12) . . ?
C42 C41 H41 119.6 . . ?
C40 C41 H41 119.6 . . ?
C41 C42 C43 121.4(11) . . ?
C41 C42 H42 119.3 . . ?
C43 C42 H42 119.3 . . ?
C42 C43 C44 118.3(11) . . ?
C42 C43 H43 120.8 . . ?
C44 C43 H43 120.8 . . ?
C43 C44 C39 120.8(11) . . ?
C43 C44 H44 119.6 . . ?
C39 C44 H44 119.6 . . ?
O6 C45 O5 126.1(7) . . ?
O6 C45 C46 117.7(7) . . ?
O5 C45 C46 116.2(7) . . ?
O4 C46 C47 110.8(7) . . ?
O4 C46 C45 110.0(6) . . ?
C47 C46 C45 111.7(7) . . ?
O4 C46 H46 108.1 . . ?
C47 C46 H46 108.1 . . ?
C45 C46 H46 108.1 . . ?
C52 C47 C48 116.9(9) . . ?
C52 C47 C46 121.6(8) . . ?
C48 C47 C46 121.3(9) . . ?
C49 C48 C47 122.0(12) . . ?
C49 C48 H48 119.0 . . ?
C47 C48 H48 119.0 . . ?
C50 C49 C48 120.6(13) . . ?
C50 C49 H49 119.7 . . ?
C48 C49 H49 119.7 . . ?
C49 C50 C51 120.2(12) . . ?
C49 C50 H50 119.9 . . ?
C51 C50 H50 119.9 . . ?
C50 C51 C52 120.1(12) . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C47 C52 C51 120.0(10) . . ?
C47 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C58 C53 C54 117.8(10) . . ?
C58 C53 Sb3 118.9(8) . . ?
C54 C53 Sb3 123.2(8) . . ?
C55 C54 C53 122.0(11) . . ?
C55 C54 H54 119.0 . . ?
C53 C54 H54 119.0 . . ?
C56 C55 C54 119.8(13) . . ?
C56 C55 H55 120.1 . . ?
C54 C55 H55 120.1 . . ?
C55 C56 C57 120.0(14) . . ?
C55 C56 H56 120.0 . . ?
C57 C56 H56 120.0 . . ?
C58 C57 C56 119.9(15) . . ?
C58 C57 H57 120.0 . . ?
C56 C57 H57 120.0 . . ?
C53 C58 C57 120.4(13) . . ?
C53 C58 H58 119.8 . . ?
C57 C58 H58 119.8 . . ?
C64 C59 C60 119.4(9) . . ?
C64 C59 Sb3 122.7(7) . . ?
C60 C59 Sb3 117.5(7) . . ?
C59 C60 C61 120.0(11) . . ?
C59 C60 H60 120.0 . . ?
C61 C60 H60 120.0 . . ?
C62 C61 C60 119.8(10) . . ?
C62 C61 H61 120.1 . . ?
C60 C61 H61 120.1 . . ?
C63 C62 C61 120.2(10) . . ?
C63 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C62 C63 C64 119.8(10) . . ?
C62 C63 H63 120.1 . . ?
C64 C63 H63 120.1 . . ?
C59 C64 C63 120.6(10) . . ?
C59 C64 H64 119.7 . . ?
C63 C64 H64 119.7 . . ?
C66 C65 C70 117.9(10) . . ?
C66 C65 Sb3 122.8(8) . . ?
C70 C65 Sb3 119.2(8) . . ?
C65 C66 C67 122.8(12) . . ?
C65 C66 H66 118.6 . . ?
C67 C66 H66 118.6 . . ?
C68 C67 C66 117.9(12) . . ?
C68 C67 H67 121.1 . . ?
C66 C67 H67 121.1 . . ?
C69 C68 C67 119.8(12) . . ?
C69 C68 H68 120.1 . . ?
C67 C68 H68 120.1 . . ?
C68 C69 C70 121.8(12) . . ?
C68 C69 H69 119.1 . . ?
C70 C69 H69 119.1 . . ?
C65 C70 C69 119.8(12) . . ?
C65 C70 H70 120.1 . . ?
C69 C70 H70 120.1 . . ?
O9 C71 O8 124.9(8) . . ?
O9 C71 C72 118.4(8) . . ?
O8 C71 C72 116.6(7) . . ?
O7 C72 C73 109.6(7) . . ?
O7 C72 C71 111.0(7) . . ?
C73 C72 C71 113.0(7) . . ?
O7 C72 H72 107.7 . . ?
C73 C72 H72 107.7 . . ?
C71 C72 H72 107.7 . . ?
C78 C73 C74 118.5(9) . . ?
C78 C73 C72 121.3(8) . . ?
C74 C73 C72 120.1(8) . . ?
C75 C74 C73 119.5(11) . . ?
C75 C74 H74 120.3 . . ?
C73 C74 H74 120.3 . . ?
C76 C75 C74 121.3(12) . . ?
C76 C75 H75 119.3 . . ?
C74 C75 H75 119.3 . . ?
C77 C76 C75 119.7(12) . . ?
C77 C76 H76 120.1 . . ?
C75 C76 H76 120.1 . . ?
C76 C77 C78 120.0(12) . . ?
C76 C77 H77 120.0 . . ?
C78 C77 H77 120.0 . . ?
C73 C78 C77 120.9(10) . . ?
C73 C78 H78 119.5 . . ?
C77 C78 H78 119.5 . . ?
C84 C79 C80 120.4(10) . . ?
C84 C79 Sb4 122.8(7) . . ?
C80 C79 Sb4 116.7(8) . . ?
C79 C80 C81 119.8(13) . . ?
C79 C80 H80 120.1 . . ?
C81 C80 H80 120.1 . . ?
C82 C81 C80 120.5(13) . . ?
C82 C81 H81 119.8 . . ?
C80 C81 H81 119.8 . . ?
C83 C82 C81 118.9(12) . . ?
C83 C82 H82 120.5 . . ?
C81 C82 H82 120.5 . . ?
C82 C83 C84 122.0(13) . . ?
C82 C83 H83 119.0 . . ?
C84 C83 H83 119.0 . . ?
C79 C84 C83 118.5(11) . . ?
C79 C84 H84 120.8 . . ?
C83 C84 H84 120.8 . . ?
C86 C85 C90 119.0(11) . . ?
C86 C85 Sb4 120.5(8) . . ?
C90 C85 Sb4 120.5(8) . . ?
C85 C86 C87 121.4(14) . . ?
C85 C86 H86 119.3 . . ?
C87 C86 H86 119.3 . . ?
C88 C87 C86 119.3(16) . . ?
C88 C87 H87 120.4 . . ?
C86 C87 H87 120.4 . . ?
C87 C88 C89 120.8(14) . . ?
C87 C88 H88 119.6 . . ?
C89 C88 H88 119.6 . . ?
C88 C89 C90 119.7(14) . . ?
C88 C89 H89 120.2 . . ?
C90 C89 H89 120.2 . . ?
C85 C90 C89 119.8(13) . . ?
C85 C90 H90 120.1 . . ?
C89 C90 H90 120.1 . . ?
C92 C91 C96 119.3(9) . . ?
C92 C91 Sb4 119.5(7) . . ?
C96 C91 Sb4 121.1(7) . . ?
C91 C92 C93 120.2(11) . . ?
C91 C92 H92 119.9 . . ?
C93 C92 H92 119.9 . . ?
C94 C93 C92 120.9(11) . . ?
C94 C93 H93 119.5 . . ?
C92 C93 H93 119.5 . . ?
C93 C94 C95 119.3(11) . . ?
C93 C94 H94 120.4 . . ?
C95 C94 H94 120.4 . . ?
C94 C95 C96 121.2(11) . . ?
C94 C95 H95 119.4 . . ?
C96 C95 H95 119.4 . . ?
C95 C96 C91 119.1(10) . . ?
C95 C96 H96 120.5 . . ?
C91 C96 H96 120.5 . . ?
O12 C97 O11 124.6(8) . . ?
O12 C97 C98 117.7(8) . . ?
O11 C97 C98 117.6(8) . . ?
O10 C98 C97 110.7(7) . . ?
O10 C98 C99 110.0(7) . . ?
C97 C98 C99 110.5(7) . . ?
O10 C98 H98 108.5 . . ?
C97 C98 H98 108.5 . . ?
C99 C98 H98 108.5 . . ?
C100 C99 C104 118.9(9) . . ?
C100 C99 C98 120.8(9) . . ?
C104 C99 C98 120.3(8) . . ?
C101 C100 C99 121.6(13) . . ?
C101 C100 H100 119.2 . . ?
C99 C100 H100 119.2 . . ?
C102 C101 C100 118.8(14) . . ?
C102 C101 H101 120.6 . . ?
C100 C101 H101 120.6 . . ?
C103 C102 C101 121.3(12) . . ?
C103 C102 H102 119.4 . . ?
C101 C102 H102 119.4 . . ?
C102 C103 C104 119.9(13) . . ?
C102 C103 H103 120.1 . . ?
C104 C103 H103 120.1 . . ?
C103 C104 C99 119.6(11) . . ?
C103 C104 H104 120.2 . . ?
C99 C104 H104 120.2 . . ?
C106 C105 H10A 109.5 . . ?
C106 C105 H10B 109.5 . . ?
H10A C105 H10B 109.5 . . ?
C106 C105 H10C 109.5 . . ?
H10A C105 H10C 109.5 . . ?
H10B C105 H10C 109.5 . . ?
O13 C106 C105 114(2) . . ?
O13 C106 H10D 108.7 . . ?
C105 C106 H10D 108.7 . . ?
O13 C106 H10E 108.7 . . ?
C105 C106 H10E 108.7 . . ?
H10D C106 H10E 107.6 . . ?
O13 C107 C108 116(2) . . ?
O13 C107 H10F 108.3 . . ?
C108 C107 H10F 108.3 . . ?
O13 C107 H10G 108.3 . . ?
C108 C107 H10G 108.3 . . ?
H10F C107 H10G 107.4 . . ?
C107 C108 H10H 109.5 . . ?
C107 C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
C107 C108 H10J 109.5 . . ?
H10H C108 H10J 109.5 . . ?
H10I C108 H10J 109.5 . . ?
C20 O1 Sb1 117.6(5) . . ?
C19 O2 Sb1 113.7(5) . . ?
C19 O3 Sb4 136.2(6) . . ?
C46 O4 Sb2 118.8(5) . . ?
C45 O5 Sb2 114.9(5) . . ?
C45 O6 Sb1 131.8(5) . . ?
C72 O7 Sb3 119.1(5) . . ?
C71 O8 Sb3 113.9(5) . . ?
C71 O9 Sb2 146.8(6) . . ?
C98 O10 Sb4 118.2(5) . . ?
C97 O11 Sb4 113.0(5) . . ?
C97 O12 Sb3 131.8(5) . . ?
C107 O13 C106 120(2) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.335
_refine_diff_density_min         -2.007
_refine_diff_density_rms         0.132



data_global


data_130302b
#TrackingRef '130302b.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C10.18 H8.36 F1.09 O1.27 Sb0.36'
_chemical_formula_weight         216.08

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'
F F 0.0171 0.0103 '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           Triclinic
_symmetry_space_group_name_H-M   'P-1 '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.6366(7)
_cell_length_b                   14.5216(8)
_cell_length_c                   16.3719(10)
_cell_angle_alpha                75.2460(10)
_cell_angle_beta                 84.121(2)
_cell_angle_gamma                72.0700(10)
_cell_volume                     2544.5(3)
_cell_formula_units_Z            11
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3118
_cell_measurement_theta_min      2.5687
_cell_measurement_theta_max      28.4666

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.36
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1188
_exptl_absorpt_coefficient_mu    1.136
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6290
_exptl_absorpt_correction_T_max  0.6853
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  'multiwire proportional'
_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            15668
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_sigmaI/netI    0.0941
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.57
_diffrn_reflns_theta_max         25.02
_reflns_number_total             8965
_reflns_number_gt                6155
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_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)+(0.0297P)²+2.2180P] 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         8965
_refine_ls_number_parameters     642
_refine_ls_number_restraints     1788
_refine_ls_R_factor_all          0.0844
_refine_ls_R_factor_gt           0.0475
_refine_ls_wR_factor_ref         0.1183
_refine_ls_wR_factor_gt          0.0940
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.022
_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 0.90172(3) 0.26845(3) 0.05315(2) 0.02355(12) Uani 1 1 d U . .
Sb2 Sb 1.04732(3) 0.45303(3) 0.28972(2) 0.02407(12) Uani 1 1 d U . .
O1 O 1.0617(3) 0.2065(3) 0.0031(2) 0.0266(9) Uani 1 1 d U . .
O2 O 0.9077(3) 0.3755(3) -0.0668(2) 0.0245(9) Uani 1 1 d U . .
O3 O 1.0383(3) 0.4202(3) -0.1677(2) 0.0266(9) Uani 1 1 d U . .
O4 O 1.1905(3) 0.4265(3) 0.2125(2) 0.0276(9) Uani 1 1 d U . .
O5 O 0.9985(3) 0.3682(3) 0.2131(2) 0.0265(9) Uani 1 1 d U . .
O6 O 1.0288(3) 0.3529(3) 0.0794(2) 0.0263(9) Uani 1 1 d U . .
F1 F 0.6635(4) 0.0449(3) -0.1269(3) 0.0578(12) Uani 1 1 d U . .
F2 F 1.0231(4) -0.0324(3) 0.4038(2) 0.0604(12) Uani 1 1 d U . .
F3 F 0.4644(3) 0.5759(3) 0.1837(3) 0.0545(11) Uani 1 1 d U . .
F4 F 1.2384(4) 0.0721(3) 0.5773(2) 0.0544(11) Uani 1 1 d U . .
F5 F 1.2332(4) 0.7545(3) 0.4105(3) 0.0767(15) Uani 1 1 d U . .
F6 F 0.5086(4) 0.5681(4) 0.4166(3) 0.0828(16) Uani 1 1 d U . .
C1 C 1.0104(5) 0.3627(4) -0.1038(4) 0.0237(13) Uani 1 1 d U . .
C2 C 1.1106(5) 0.2688(4) -0.0632(4) 0.0271(13) Uani 1 1 d U . .
H2 H 1.1706 0.2892 -0.0399 0.033 Uiso 1 1 calc R . .
C3 C 1.1726(5) 0.2106(4) -0.1282(4) 0.0266(13) Uani 1 1 d U . .
C4 C 1.2976(6) 0.1861(4) -0.1389(4) 0.0364(15) Uani 1 1 d U . .
H4 H 1.3422 0.2068 -0.1069 0.044 Uiso 1 1 calc R . .
C5 C 1.3565(6) 0.1312(5) -0.1970(4) 0.0455(17) Uani 1 1 d U . .
H5 H 1.4400 0.1159 -0.2041 0.055 Uiso 1 1 calc R . .
C6 C 1.2917(6) 0.0995(5) -0.2438(4) 0.0459(18) Uani 1 1 d U . .
H6 H 1.3310 0.0627 -0.2828 0.055 Uiso 1 1 calc R . .
C7 C 1.1675(7) 0.1224(5) -0.2327(4) 0.0437(17) Uani 1 1 d U . .
H7 H 1.1234 0.1003 -0.2639 0.052 Uiso 1 1 calc R . .
C8 C 1.1086(6) 0.1778(5) -0.1757(4) 0.0384(15) Uani 1 1 d U . .
H8 H 1.0250 0.1934 -0.1692 0.046 Uiso 1 1 calc R . .
C9 C 0.8117(5) 0.1944(4) -0.0041(4) 0.0279(13) Uani 1 1 d U . .
C10 C 0.7434(6) 0.2441(5) -0.0758(4) 0.0385(15) Uani 1 1 d U . .
H10 H 0.7308 0.3122 -0.0965 0.046 Uiso 1 1 calc R . .
C11 C 0.6942(6) 0.1935(5) -0.1166(4) 0.0406(16) Uani 1 1 d U . .
H11 H 0.6493 0.2268 -0.1649 0.049 Uiso 1 1 calc R . .
C12 C 0.7125(6) 0.0938(5) -0.0851(4) 0.0380(16) Uani 1 1 d U . .
C13 C 0.7777(6) 0.0418(5) -0.0152(4) 0.0442(17) Uani 1 1 d U . .
H13 H 0.7890 -0.0263 0.0048 0.053 Uiso 1 1 calc R . .
C14 C 0.8270(6) 0.0931(5) 0.0254(4) 0.0398(16) Uani 1 1 d U . .
H14 H 0.8713 0.0588 0.0737 0.048 Uiso 1 1 calc R . .
C15 C 0.9465(6) 0.1669(4) 0.1727(4) 0.0285(13) Uani 1 1 d U . .
C16 C 1.0582(6) 0.0970(5) 0.1861(4) 0.0428(17) Uani 1 1 d U . .
H16 H 1.1168 0.0950 0.1429 0.051 Uiso 1 1 calc R . .
C17 C 1.0837(7) 0.0286(5) 0.2650(4) 0.0491(18) Uani 1 1 d U . .
H17 H 1.1585 -0.0193 0.2742 0.059 Uiso 1 1 calc R . .
C18 C 0.9975(7) 0.0340(5) 0.3272(4) 0.0391(16) Uani 1 1 d U . .
C19 C 0.8863(7) 0.1038(5) 0.3175(4) 0.0455(17) Uani 1 1 d U . .
H19 H 0.8294 0.1068 0.3618 0.055 Uiso 1 1 calc R . .
C20 C 0.8619(6) 0.1698(5) 0.2392(4) 0.0409(16) Uani 1 1 d U . .
H20 H 0.7867 0.2174 0.2309 0.049 Uiso 1 1 calc R . .
C21 C 0.7531(5) 0.3838(4) 0.0876(4) 0.0266(13) Uani 1 1 d U . .
C22 C 0.6400(6) 0.3686(5) 0.0967(5) 0.0480(17) Uani 1 1 d U . .
H22 H 0.6300 0.3142 0.0815 0.058 Uiso 1 1 calc R . .
C23 C 0.5415(6) 0.4337(5) 0.1283(5) 0.0509(18) Uani 1 1 d U . .
H23 H 0.4655 0.4238 0.1342 0.061 Uiso 1 1 calc R . .
C24 C 0.5600(6) 0.5124(5) 0.1505(4) 0.0363(15) Uani 1 1 d U . .
C25 C 0.6684(6) 0.5302(4) 0.1423(4) 0.0354(15) Uani 1 1 d U . .
H25 H 0.6775 0.5847 0.1579 0.043 Uiso 1 1 calc R . .
C26 C 0.7659(6) 0.4653(4) 0.1099(4) 0.0313(14) Uani 1 1 d U . .
H26 H 0.8409 0.4770 0.1033 0.038 Uiso 1 1 calc R . .
C27 C 1.0595(5) 0.3692(4) 0.1444(4) 0.0235(12) Uani 1 1 d U . .
C28 C 1.1790(5) 0.3921(4) 0.1403(4) 0.0259(13) Uani 1 1 d U . .
H28 H 1.1801 0.4455 0.0898 0.031 Uiso 1 1 calc R . .
C29 C 1.2833(5) 0.3021(4) 0.1323(4) 0.0270(13) Uani 1 1 d U . .
C30 C 1.3049(6) 0.2160(5) 0.1958(5) 0.0572(19) Uani 1 1 d U . .
H30 H 1.2550 0.2130 0.2439 0.069 Uiso 1 1 calc R . .
C31 C 1.4026(8) 0.1329(6) 0.1874(6) 0.075(2) Uani 1 1 d U . .
H31 H 1.4173 0.0752 0.2305 0.090 Uiso 1 1 calc R . .
C32 C 1.4765(7) 0.1359(5) 0.1165(5) 0.0526(19) Uani 1 1 d U . .
H32 H 1.5411 0.0808 0.1112 0.063 Uiso 1 1 calc R . .
C33 C 1.4539(6) 0.2197(5) 0.0551(5) 0.0458(17) Uani 1 1 d U . .
H33 H 1.5030 0.2226 0.0066 0.055 Uiso 1 1 calc R . .
C34 C 1.3576(6) 0.3023(5) 0.0631(4) 0.0408(16) Uani 1 1 d U . .
H34 H 1.3439 0.3595 0.0195 0.049 Uiso 1 1 calc R . .
C35 C 1.1133(5) 0.3221(4) 0.3866(4) 0.0286(13) Uani 1 1 d U . .
C36 C 1.0932(6) 0.2322(4) 0.3859(4) 0.0314(14) Uani 1 1 d U . .
H36 H 1.0519 0.2285 0.3417 0.038 Uiso 1 1 calc R . .
C37 C 1.1348(6) 0.1481(5) 0.4512(4) 0.0357(15) Uani 1 1 d U . .
H37 H 1.1193 0.0888 0.4518 0.043 Uiso 1 1 calc R . .
C38 C 1.1986(6) 0.1540(5) 0.5142(4) 0.0384(16) Uani 1 1 d U . .
C39 C 1.2221(6) 0.2396(5) 0.5171(4) 0.0416(17) Uani 1 1 d U . .
H39 H 1.2654 0.2415 0.5611 0.050 Uiso 1 1 calc R . .
C40 C 1.1794(5) 0.3245(5) 0.4522(4) 0.0334(14) Uani 1 1 d U . .
H40 H 1.1952 0.3833 0.4527 0.040 Uiso 1 1 calc R . .
C41 C 1.1085(5) 0.5596(4) 0.3272(4) 0.0285(13) Uani 1 1 d U . .
C42 C 1.0445(6) 0.6048(5) 0.3906(4) 0.0430(16) Uani 1 1 d U . .
H42 H 0.9739 0.5907 0.4143 0.052 Uiso 1 1 calc R . .
C43 C 1.0871(6) 0.6711(5) 0.4181(4) 0.0468(17) Uani 1 1 d U . .
H43 H 1.0452 0.7019 0.4601 0.056 Uiso 1 1 calc R . .
C44 C 1.1903(7) 0.6904(5) 0.3829(5) 0.0464(17) Uani 1 1 d U . .
C45 C 1.2571(6) 0.6443(5) 0.3229(4) 0.0463(17) Uani 1 1 d U . .
H45 H 1.3300 0.6559 0.3018 0.056 Uiso 1 1 calc R . .
C46 C 1.2131(6) 0.5797(5) 0.2945(4) 0.0388(15) Uani 1 1 d U . .
H46 H 1.2558 0.5496 0.2523 0.047 Uiso 1 1 calc R . .
C47 C 0.8599(5) 0.4933(5) 0.3265(4) 0.0298(13) Uani 1 1 d U . .
C48 C 0.8085(6) 0.4189(5) 0.3663(4) 0.0480(17) Uani 1 1 d U . .
H48 H 0.8534 0.3524 0.3731 0.058 Uiso 1 1 calc R . .
C49 C 0.6887(6) 0.4437(6) 0.3964(5) 0.062(2) Uani 1 1 d U . .
H49 H 0.6526 0.3945 0.4226 0.074 Uiso 1 1 calc R . .
C50 C 0.6249(6) 0.5444(6) 0.3861(5) 0.053(2) Uani 1 1 d U . .
C51 C 0.6729(6) 0.6173(5) 0.3451(4) 0.0419(16) Uani 1 1 d U . .
H51 H 0.6272 0.6837 0.3369 0.050 Uiso 1 1 calc R . .
C52 C 0.7905(6) 0.5920(5) 0.3153(4) 0.0346(14) Uani 1 1 d U . .
H52 H 0.8243 0.6421 0.2871 0.042 Uiso 1 1 calc R . .
O7 O 0.5536(9) 0.1998(8) 0.4601(7) 0.192(4) Uani 1 1 d DU . .
C56 C 0.5985(12) 0.0930(9) 0.6017(8) 0.159(5) Uani 1 1 d DU . .
H56A H 0.6662 0.1144 0.6090 0.239 Uiso 1 1 calc R . .
H56B H 0.6122 0.0243 0.6306 0.239 Uiso 1 1 calc R . .
H56C H 0.5266 0.1329 0.6244 0.239 Uiso 1 1 calc R . .
C54 C 0.4779(12) 0.3191(11) 0.3365(9) 0.195(6) Uani 1 1 d DU . .
H54A H 0.4443 0.3549 0.3794 0.292 Uiso 1 1 calc R . .
H54B H 0.4183 0.3338 0.2949 0.292 Uiso 1 1 calc R . .
H54C H 0.5469 0.3388 0.3099 0.292 Uiso 1 1 calc R . .
C53 C 0.5167(15) 0.2069(10) 0.3767(9) 0.209(6) Uani 1 1 d DU . .
H53A H 0.4499 0.1793 0.3797 0.250 Uiso 1 1 calc R . .
H53B H 0.5831 0.1720 0.3447 0.250 Uiso 1 1 calc R . .
C55 C 0.5839(17) 0.1044(10) 0.5108(9) 0.223(7) Uani 1 1 d DU . .
H55A H 0.6590 0.0664 0.4887 0.267 Uiso 1 1 calc R . .
H55B H 0.5221 0.0743 0.5054 0.267 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 1.995(4) . ?
Sb1 C9 2.130(6) . ?
Sb1 C15 2.131(5) . ?
Sb1 C21 2.148(6) . ?
Sb1 O2 2.182(4) . ?
Sb1 O6 2.322(4) . ?
Sb2 O4 1.986(4) . ?
Sb2 C41 2.128(6) . ?
Sb2 C35 2.130(5) . ?
Sb2 C47 2.142(6) . ?
Sb2 O5 2.186(4) . ?
Sb2 O3 2.403(3) 2_765 ?
O1 C2 1.418(6) . ?
O2 C1 1.265(7) . ?
O3 C1 1.245(6) . ?
O3 Sb2 2.403(3) 2_765 ?
O4 C28 1.428(6) . ?
O5 C27 1.267(7) . ?
O6 C27 1.255(6) . ?
F1 C12 1.368(6) . ?
F2 C18 1.370(6) . ?
F3 C24 1.373(7) . ?
F4 C38 1.354(6) . ?
F5 C44 1.365(7) . ?
F6 C50 1.365(8) . ?
C1 C2 1.541(7) . ?
C2 C3 1.513(8) . ?
C3 C8 1.382(8) . ?
C3 C4 1.391(8) . ?
C4 C5 1.387(9) . ?
C5 C6 1.372(9) . ?
C6 C7 1.383(9) . ?
C7 C8 1.378(9) . ?
C9 C14 1.387(8) . ?
C9 C10 1.392(7) . ?
C10 C11 1.379(8) . ?
C11 C12 1.363(8) . ?
C12 C13 1.357(8) . ?
C13 C14 1.386(8) . ?
C15 C16 1.378(8) . ?
C15 C20 1.392(9) . ?
C16 C17 1.410(8) . ?
C17 C18 1.353(10) . ?
C18 C19 1.371(9) . ?
C19 C20 1.387(8) . ?
C21 C26 1.377(8) . ?
C21 C22 1.387(8) . ?
C22 C23 1.391(10) . ?
C23 C24 1.365(9) . ?
C24 C25 1.351(8) . ?
C25 C26 1.389(8) . ?
C27 C28 1.518(7) . ?
C28 C29 1.508(8) . ?
C29 C34 1.354(9) . ?
C29 C30 1.380(8) . ?
C30 C31 1.405(10) . ?
C31 C32 1.372(11) . ?
C32 C33 1.340(9) . ?
C33 C34 1.390(9) . ?
C35 C40 1.396(7) . ?
C35 C36 1.398(8) . ?
C36 C37 1.395(8) . ?
C37 C38 1.365(8) . ?
C38 C39 1.365(9) . ?
C39 C40 1.400(8) . ?
C41 C46 1.364(8) . ?
C41 C42 1.398(9) . ?
C42 C43 1.391(8) . ?
C43 C44 1.354(9) . ?
C44 C45 1.370(10) . ?
C45 C46 1.386(8) . ?
C47 C48 1.381(8) . ?
C47 C52 1.387(8) . ?
C48 C49 1.398(9) . ?
C49 C50 1.397(10) . ?
C50 C51 1.344(9) . ?
C51 C52 1.375(9) . ?
O7 C55 1.381(8) . ?
O7 C53 1.444(9) . ?
C56 C55 1.475(9) . ?
C54 C53 1.534(9) . ?

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 C9 92.6(2) . . ?
O1 Sb1 C15 91.5(2) . . ?
C9 Sb1 C15 101.9(2) . . ?
O1 Sb1 C21 158.13(18) . . ?
C9 Sb1 C21 101.8(2) . . ?
C15 Sb1 C21 101.4(2) . . ?
O1 Sb1 O2 77.28(14) . . ?
C9 Sb1 O2 90.71(18) . . ?
C15 Sb1 O2 163.54(18) . . ?
C21 Sb1 O2 86.07(18) . . ?
O1 Sb1 O6 75.04(15) . . ?
C9 Sb1 O6 163.95(19) . . ?
C15 Sb1 O6 88.86(17) . . ?
C21 Sb1 O6 87.50(18) . . ?
O2 Sb1 O6 76.74(13) . . ?
O4 Sb2 C41 90.3(2) . . ?
O4 Sb2 C35 95.9(2) . . ?
C41 Sb2 C35 102.5(2) . . ?
O4 Sb2 C47 157.29(18) . . ?
C41 Sb2 C47 102.1(2) . . ?
C35 Sb2 C47 99.8(2) . . ?
O4 Sb2 O5 77.65(15) . . ?
C41 Sb2 O5 162.45(19) . . ?
C35 Sb2 O5 91.52(18) . . ?
C47 Sb2 O5 85.59(19) . . ?
O4 Sb2 O3 82.65(14) . 2_765 ?
C41 Sb2 O3 88.50(17) . 2_765 ?
C35 Sb2 O3 168.93(18) . 2_765 ?
C47 Sb2 O3 78.79(18) . 2_765 ?
O5 Sb2 O3 77.44(13) . 2_765 ?
C2 O1 Sb1 117.4(3) . . ?
C1 O2 Sb1 114.8(3) . . ?
C1 O3 Sb2 142.0(4) . 2_765 ?
C28 O4 Sb2 117.7(3) . . ?
C27 O5 Sb2 112.0(3) . . ?
C27 O6 Sb1 134.8(4) . . ?
O3 C1 O2 126.0(5) . . ?
O3 C1 C2 117.7(5) . . ?
O2 C1 C2 116.3(5) . . ?
O1 C2 C3 109.1(5) . . ?
O1 C2 C1 110.5(5) . . ?
C3 C2 C1 110.8(5) . . ?
C8 C3 C4 118.5(6) . . ?
C8 C3 C2 121.7(6) . . ?
C4 C3 C2 119.7(5) . . ?
C5 C4 C3 120.6(6) . . ?
C6 C5 C4 120.1(7) . . ?
C5 C6 C7 119.6(7) . . ?
C8 C7 C6 120.4(6) . . ?
C7 C8 C3 120.7(7) . . ?
C14 C9 C10 117.9(5) . . ?
C14 C9 Sb1 120.7(4) . . ?
C10 C9 Sb1 121.3(4) . . ?
C11 C10 C9 120.8(6) . . ?
C12 C11 C10 118.9(6) . . ?
C13 C12 C11 122.7(6) . . ?
C13 C12 F1 119.2(6) . . ?
C11 C12 F1 118.0(6) . . ?
C12 C13 C14 118.0(6) . . ?
C13 C14 C9 121.7(6) . . ?
C16 C15 C20 118.5(6) . . ?
C16 C15 Sb1 121.5(5) . . ?
C20 C15 Sb1 120.0(4) . . ?
C15 C16 C17 120.2(7) . . ?
C18 C17 C16 118.8(6) . . ?
C17 C18 F2 118.5(6) . . ?
C17 C18 C19 123.1(6) . . ?
F2 C18 C19 118.4(7) . . ?
C18 C19 C20 117.5(7) . . ?
C19 C20 C15 121.9(6) . . ?
C26 C21 C22 118.6(6) . . ?
C26 C21 Sb1 123.8(4) . . ?
C22 C21 Sb1 117.1(4) . . ?
C21 C22 C23 121.0(6) . . ?
C24 C23 C22 117.8(7) . . ?
C25 C24 C23 123.2(6) . . ?
C25 C24 F3 118.3(6) . . ?
C23 C24 F3 118.5(6) . . ?
C24 C25 C26 118.5(6) . . ?
C21 C26 C25 121.0(6) . . ?
O6 C27 O5 125.1(5) . . ?
O6 C27 C28 117.4(5) . . ?
O5 C27 C28 117.5(5) . . ?
O4 C28 C29 111.1(4) . . ?
O4 C28 C27 110.5(5) . . ?
C29 C28 C27 110.7(5) . . ?
C34 C29 C30 117.8(6) . . ?
C34 C29 C28 121.6(5) . . ?
C30 C29 C28 120.6(6) . . ?
C29 C30 C31 119.8(7) . . ?
C32 C31 C30 120.9(7) . . ?
C33 C32 C31 118.7(7) . . ?
C32 C33 C34 120.7(7) . . ?
C29 C34 C33 122.1(6) . . ?
C40 C35 C36 118.5(5) . . ?
C40 C35 Sb2 120.1(4) . . ?
C36 C35 Sb2 121.4(4) . . ?
C37 C36 C35 120.4(5) . . ?
C38 C37 C36 119.0(6) . . ?
F4 C38 C39 118.5(5) . . ?
F4 C38 C37 118.6(6) . . ?
C39 C38 C37 122.9(6) . . ?
C38 C39 C40 118.2(6) . . ?
C35 C40 C39 121.0(6) . . ?
C46 C41 C42 119.3(6) . . ?
C46 C41 Sb2 121.3(5) . . ?
C42 C41 Sb2 119.2(5) . . ?
C43 C42 C41 119.5(6) . . ?
C44 C43 C42 119.3(7) . . ?
C43 C44 F5 119.4(7) . . ?
C43 C44 C45 122.3(6) . . ?
F5 C44 C45 118.2(7) . . ?
C44 C45 C46 118.2(7) . . ?
C41 C46 C45 121.3(6) . . ?
C48 C47 C52 119.2(6) . . ?
C48 C47 Sb2 119.0(5) . . ?
C52 C47 Sb2 121.8(4) . . ?
C47 C48 C49 120.0(7) . . ?
C50 C49 C48 118.2(7) . . ?
C51 C50 F6 119.8(7) . . ?
C51 C50 C49 122.2(7) . . ?
F6 C50 C49 117.9(7) . . ?
C50 C51 C52 119.0(7) . . ?
C51 C52 C47 121.4(6) . . ?
C55 O7 C53 114.2(12) . . ?
O7 C53 C54 104.1(10) . . ?
O7 C55 C56 117.5(12) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.331
_refine_diff_density_min         -0.680
_refine_diff_density_rms         0.126



data_global

# Attachment '120508i.cif'


data_120508i
#TrackingRef '120508i.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C104 H72 F12 O12 Sb4'
_chemical_formula_weight         2228.62

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'
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           Triclinic
_symmetry_space_group_name_H-M   'P-1 '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.7102(12)
_cell_length_b                   14.5439(14)
_cell_length_c                   23.0914(19)
_cell_angle_alpha                87.3790(10)
_cell_angle_beta                 85.6180(10)
_cell_angle_gamma                89.104(2)
_cell_volume                     4585.8(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    4751
_cell_measurement_theta_min      2.307
_cell_measurement_theta_max      23.202

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.39
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2208
_exptl_absorpt_coefficient_mu    1.253
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5964
_exptl_absorpt_correction_T_max  0.6407
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      298(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            22038
_diffrn_reflns_av_R_equivalents  0.0899
_diffrn_reflns_av_sigmaI/netI    0.2488
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.29
_diffrn_reflns_theta_max         25.02
_reflns_number_total             15732
_reflns_number_gt                7023
_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)+(0.0873P)²+21.7780P] 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         15732
_refine_ls_number_parameters     1189
_refine_ls_number_restraints     372
_refine_ls_R_factor_all          0.2110
_refine_ls_R_factor_gt           0.0928
_refine_ls_wR_factor_ref         0.2833
_refine_ls_wR_factor_gt          0.2010
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.000
_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 0.40190(8) 0.20056(8) 0.18089(5) 0.0314(3) Uani 1 1 d . . .
Sb2 Sb 0.82381(8) 0.08646(8) 0.19328(5) 0.0327(3) Uani 1 1 d . . .
Sb3 Sb 0.52596(8) 0.56294(8) 0.23979(5) 0.0350(3) Uani 1 1 d . . .
Sb4 Sb 0.83679(8) 0.37551(8) 0.36635(5) 0.0378(3) Uani 1 1 d . . .
O1 O 0.7257(7) 0.4571(7) 0.3236(4) 0.032(3) Uani 1 1 d . . .
O2 O 0.4776(7) 0.2821(7) 0.1242(4) 0.033(3) Uani 1 1 d . . .
O3 O 0.7424(8) 0.2617(8) 0.3281(4) 0.036(3) Uani 1 1 d . . .
O4 O 0.7042(7) 0.1886(7) 0.1613(4) 0.035(3) Uani 1 1 d . . .
O5 O 0.8281(7) 0.1983(7) 0.2525(4) 0.035(3) Uani 1 1 d . . .
O6 O 0.4729(8) 0.4286(7) 0.2164(4) 0.035(3) Uani 1 1 d . . .
O7 O 0.8948(8) 0.3866(8) 0.2846(4) 0.040(3) Uani 1 1 d . . .
O8 O 0.4738(7) 0.2822(7) 0.2498(4) 0.033(3) Uani 1 1 d . . .
O9 O 0.5503(7) 0.1417(7) 0.1777(4) 0.032(3) Uani 1 1 d . . .
O10 O 0.5020(9) 0.4935(8) 0.3156(4) 0.049(3) Uani 1 1 d . . .
O11 O 0.7204(7) 0.0530(7) 0.2549(4) 0.031(3) Uani 1 1 d . . .
O12 O 0.6723(7) 0.4742(8) 0.2346(5) 0.038(3) Uani 1 1 d . . .
F1 F 0.2279(10) 0.5229(9) 0.1314(6) 0.094(4) Uani 1 1 d U . .
F2 F 0.2920(14) 0.0741(13) 0.4015(7) 0.147(7) Uani 1 1 d . . .
F3 F 0.1255(10) 0.0481(11) 0.0651(7) 0.115(6) Uani 1 1 d . . .
F4 F 0.5536(10) -0.1271(10) 0.1078(7) 0.105(5) Uani 1 1 d . . .
F5 F 0.9432(9) 0.2002(10) -0.0246(5) 0.091(4) Uani 1 1 d . . .
F6 F 0.9815(14) -0.1378(14) 0.3548(8) 0.178(9) Uani 1 1 d . . .
F7 F 0.6813(12) 0.7246(10) 0.4162(5) 0.108(5) Uani 1 1 d . . .
F8 F 0.2670(14) 0.8140(15) 0.1677(8) 0.160(6) Uani 1 1 d U . .
F9 F 0.7729(9) 0.6278(10) 0.0456(5) 0.094(4) Uani 1 1 d . . .
F10 F 0.6113(16) 0.1888(14) 0.5335(7) 0.158(8) Uani 1 1 d . . .
F11 F 1.1378(16) 0.5477(15) 0.4411(9) 0.178(7) Uani 1 1 d U . .
F12 F 1.0074(15) 0.1400(14) 0.5150(8) 0.156(7) Uani 1 1 d U . .
C1 C 0.6142(11) 0.1966(12) 0.1587(6) 0.029(4) Uani 1 1 d . . .
C2 C 0.5785(10) 0.2868(12) 0.1278(6) 0.030(4) Uani 1 1 d . . .
H2 H 0.5922 0.3388 0.1514 0.036 Uiso 1 1 calc R . .
C3 C 0.6316(11) 0.3007(10) 0.0696(7) 0.028(4) Uani 1 1 d . . .
C4 C 0.6090(15) 0.2446(14) 0.0248(7) 0.053(5) Uani 1 1 d . . .
H4 H 0.5601 0.2008 0.0310 0.063 Uiso 1 1 calc R . .
C5 C 0.662(2) 0.2558(17) -0.0296(9) 0.083(8) Uani 1 1 d . . .
H5 H 0.6460 0.2198 -0.0598 0.100 Uiso 1 1 calc R . .
C6 C 0.7333(18) 0.3168(18) -0.0390(10) 0.073(7) Uani 1 1 d . . .
H6 H 0.7666 0.3228 -0.0756 0.087 Uiso 1 1 calc R . .
C7 C 0.7588(15) 0.3711(19) 0.0048(10) 0.079(8) Uani 1 1 d . . .
H7 H 0.8102 0.4122 -0.0014 0.095 Uiso 1 1 calc R . .
C8 C 0.7051(14) 0.3627(14) 0.0589(8) 0.053(5) Uani 1 1 d . . .
H8 H 0.7200 0.4005 0.0883 0.064 Uiso 1 1 calc R . .
C9 C 0.2833(11) 0.2988(11) 0.1918(7) 0.034(4) Uani 1 1 d . . .
C10 C 0.2052(13) 0.2867(13) 0.2318(7) 0.049(5) Uani 1 1 d . . .
H10 H 0.1995 0.2326 0.2549 0.058 Uiso 1 1 calc R . .
C11 C 0.1358(13) 0.3547(15) 0.2376(8) 0.059(6) Uani 1 1 d . . .
H11 H 0.0823 0.3458 0.2644 0.071 Uiso 1 1 calc R . .
C12 C 0.1429(14) 0.4362(14) 0.2046(9) 0.059(6) Uani 1 1 d . . .
H12 H 0.0973 0.4838 0.2096 0.071 Uiso 1 1 calc R . .
C13 C 0.2194(15) 0.4428(14) 0.1647(10) 0.067(6) Uani 1 1 d . . .
C14 C 0.2911(12) 0.3792(14) 0.1551(8) 0.056(6) Uani 1 1 d . . .
H14 H 0.3419 0.3877 0.1263 0.067 Uiso 1 1 calc R . .
C15 C 0.3800(14) 0.1029(14) 0.2522(8) 0.054(3) Uani 1 1 d U . .
C16 C 0.3954(14) 0.0109(15) 0.2428(8) 0.058(3) Uani 1 1 d U . .
H16 H 0.4166 -0.0046 0.2053 0.069 Uiso 1 1 calc R . .
C17 C 0.3818(14) -0.0628(16) 0.2854(8) 0.062(3) Uani 1 1 d U . .
H17 H 0.3953 -0.1240 0.2775 0.075 Uiso 1 1 calc R . .
C18 C 0.3468(14) -0.0350(15) 0.3397(9) 0.063(3) Uani 1 1 d U . .
H18 H 0.3346 -0.0784 0.3701 0.075 Uiso 1 1 calc R . .
C19 C 0.3297(15) 0.0590(16) 0.3488(9) 0.060(3) Uani 1 1 d U . .
C20 C 0.3442(13) 0.1289(15) 0.3081(8) 0.056(3) Uani 1 1 d U . .
H20 H 0.3313 0.1900 0.3166 0.068 Uiso 1 1 calc R . .
C21 C 0.3513(12) 0.1162(11) 0.1171(7) 0.034(4) Uani 1 1 d U . .
C22 C 0.4137(13) 0.0551(14) 0.0861(8) 0.056(5) Uani 1 1 d . . .
H22 H 0.4803 0.0545 0.0914 0.067 Uiso 1 1 calc R . .
C23 C 0.3781(16) -0.0040(15) 0.0479(10) 0.070(7) Uani 1 1 d . . .
H23 H 0.4214 -0.0408 0.0260 0.084 Uiso 1 1 calc R . .
C24 C 0.2824(17) -0.0092(17) 0.0421(9) 0.073(7) Uani 1 1 d . . .
H24 H 0.2589 -0.0527 0.0185 0.088 Uiso 1 1 calc R . .
C25 C 0.2189(15) 0.0493(16) 0.0708(10) 0.066(6) Uani 1 1 d . . .
C26 C 0.2537(14) 0.1112(14) 0.1083(8) 0.057(5) Uani 1 1 d . . .
H26 H 0.2096 0.1503 0.1279 0.068 Uiso 1 1 calc R . .
C27 C 0.7594(11) 0.1993(12) 0.2925(7) 0.033(4) Uani 1 1 d . . .
C28 C 0.6898(11) 0.1190(11) 0.2961(6) 0.032(4) Uani 1 1 d . . .
H28 H 0.6252 0.1426 0.2869 0.038 Uiso 1 1 calc R . .
C29 C 0.6798(12) 0.0722(14) 0.3556(7) 0.058(3) Uani 1 1 d DU . .
C30 C 0.5891(14) 0.0408(13) 0.3771(7) 0.065(3) Uani 1 1 d DU . .
H30 H 0.5349 0.0530 0.3560 0.078 Uiso 1 1 calc R . .
C31 C 0.5779(15) -0.0083(14) 0.4294(7) 0.070(3) Uani 1 1 d DU . .
H31 H 0.5170 -0.0301 0.4437 0.084 Uiso 1 1 calc R . .
C32 C 0.6590(12) -0.0245(14) 0.4600(8) 0.069(3) Uani 1 1 d DU . .
H32 H 0.6515 -0.0568 0.4957 0.082 Uiso 1 1 calc R . .
C33 C 0.7506(14) 0.0051(13) 0.4401(7) 0.069(3) Uani 1 1 d DU . .
H33 H 0.8046 -0.0071 0.4614 0.083 Uiso 1 1 calc R . .
C34 C 0.7595(14) 0.0535(14) 0.3874(7) 0.068(3) Uani 1 1 d DU . .
H34 H 0.8208 0.0741 0.3728 0.081 Uiso 1 1 calc R . .
C35 C 0.7736(13) -0.0153(12) 0.1391(7) 0.040(4) Uani 1 1 d . . .
C36 C 0.6762(14) -0.0368(14) 0.1412(8) 0.054(5) Uani 1 1 d . . .
H36 H 0.6296 -0.0055 0.1644 0.065 Uiso 1 1 calc R . .
C37 C 0.6508(16) -0.1061(16) 0.1077(9) 0.064(6) Uani 1 1 d . . .
C38 C 0.716(2) -0.1581(16) 0.0737(9) 0.072(7) Uani 1 1 d . . .
H38 H 0.6949 -0.2045 0.0514 0.086 Uiso 1 1 calc R . .
C39 C 0.811(2) -0.1384(19) 0.0743(10) 0.093(9) Uani 1 1 d . . .
H39 H 0.8565 -0.1714 0.0516 0.112 Uiso 1 1 calc R . .
C40 C 0.8427(16) -0.0692(15) 0.1084(9) 0.069(6) Uani 1 1 d . . .
H40 H 0.9092 -0.0594 0.1105 0.083 Uiso 1 1 calc R . .
C41 C 0.9053(11) 0.1717(11) 0.1295(7) 0.033(4) Uani 1 1 d . . .
C42 C 0.8915(11) 0.1617(13) 0.0721(8) 0.045(5) Uani 1 1 d . . .
H42 H 0.8435 0.1236 0.0604 0.054 Uiso 1 1 calc R . .
C43 C 0.9522(15) 0.2107(15) 0.0330(8) 0.055(6) Uani 1 1 d . . .
C44 C 1.0224(15) 0.2691(15) 0.0463(10) 0.060(6) Uani 1 1 d . . .
H44 H 1.0602 0.3013 0.0172 0.072 Uiso 1 1 calc R . .
C45 C 1.0358(15) 0.2792(14) 0.1034(10) 0.067(6) Uani 1 1 d . . .
H45 H 1.0850 0.3169 0.1140 0.081 Uiso 1 1 calc R . .
C46 C 0.9757(12) 0.2330(12) 0.1455(8) 0.046(5) Uani 1 1 d . . .
H46 H 0.9819 0.2426 0.1845 0.055 Uiso 1 1 calc R . .
C47 C 0.9421(13) 0.0139(11) 0.2321(7) 0.039(4) Uani 1 1 d . . .
C48 C 0.9220(14) -0.0419(14) 0.2816(9) 0.063(6) Uani 1 1 d . . .
H48 H 0.8585 -0.0479 0.2985 0.075 Uiso 1 1 calc R . .
C49 C 1.000(2) -0.0888(17) 0.3053(11) 0.091(8) Uani 1 1 d . . .
C50 C 1.095(2) -0.0749(17) 0.2831(13) 0.089(8) Uani 1 1 d . . .
H50 H 1.1460 -0.1047 0.3014 0.107 Uiso 1 1 calc R . .
C51 C 1.1171(18) -0.0199(16) 0.2360(11) 0.079(7) Uani 1 1 d . . .
H51 H 1.1815 -0.0111 0.2212 0.095 Uiso 1 1 calc R . .
C52 C 1.0381(16) 0.0242(16) 0.2095(9) 0.072(7) Uani 1 1 d . . .
H52 H 1.0509 0.0613 0.1759 0.086 Uiso 1 1 calc R . .
C53 C 0.4820(11) 0.3660(12) 0.2559(7) 0.032(4) Uani 1 1 d . . .
C54 C 0.5020(11) 0.3989(10) 0.3154(6) 0.027(4) Uani 1 1 d . . .
H54 H 0.5665 0.3757 0.3252 0.033 Uiso 1 1 calc R . .
C55 C 0.4253(13) 0.3617(12) 0.3618(7) 0.037(4) Uani 1 1 d . . .
C56 C 0.3274(17) 0.3751(15) 0.3563(10) 0.079(7) Uani 1 1 d . . .
H56 H 0.3060 0.4093 0.3246 0.095 Uiso 1 1 calc R . .
C57 C 0.258(2) 0.336(2) 0.3995(14) 0.105(10) Uani 1 1 d . . .
H57 H 0.1917 0.3408 0.3948 0.126 Uiso 1 1 calc R . .
C58 C 0.290(3) 0.294(3) 0.4465(12) 0.133(15) Uani 1 1 d . . .
H58 H 0.2449 0.2762 0.4766 0.160 Uiso 1 1 calc R . .
C59 C 0.388(3) 0.276(2) 0.4529(13) 0.130(13) Uani 1 1 d . . .
H59 H 0.4095 0.2423 0.4848 0.155 Uiso 1 1 calc R . .
C60 C 0.4513(19) 0.312(2) 0.4076(10) 0.098(9) Uani 1 1 d . . .
H60 H 0.5178 0.3007 0.4100 0.118 Uiso 1 1 calc R . .
C61 C 0.6038(12) 0.6678(11) 0.2774(7) 0.034(4) Uani 1 1 d . . .
C62 C 0.6301(19) 0.7448(16) 0.2445(8) 0.083(8) Uani 1 1 d . . .
H62 H 0.6228 0.7483 0.2047 0.099 Uiso 1 1 calc R . .
C63 C 0.668(2) 0.8177(16) 0.2718(9) 0.092(9) Uani 1 1 d . . .
H63 H 0.6823 0.8720 0.2502 0.110 Uiso 1 1 calc R . .
C64 C 0.6850(16) 0.8129(15) 0.3289(9) 0.066(6) Uani 1 1 d . . .
H64 H 0.7114 0.8620 0.3466 0.080 Uiso 1 1 calc R . .
C65 C 0.6618(17) 0.7334(16) 0.3588(9) 0.066(6) Uani 1 1 d . . .
C66 C 0.6190(13) 0.6605(12) 0.3349(8) 0.049(5) Uani 1 1 d . . .
H66 H 0.6011 0.6080 0.3574 0.058 Uiso 1 1 calc R . .
C67 C 0.3859(19) 0.6244(19) 0.2409(12) 0.095(4) Uani 1 1 d U . .
C68 C 0.3733(19) 0.7018(18) 0.2029(11) 0.098(4) Uani 1 1 d U . .
H68 H 0.4250 0.7267 0.1791 0.117 Uiso 1 1 calc R . .
C69 C 0.275(2) 0.740(2) 0.2031(13) 0.102(4) Uani 1 1 d U . .
C70 C 0.211(2) 0.7126(19) 0.2380(12) 0.100(4) Uani 1 1 d U . .
H70 H 0.1499 0.7403 0.2347 0.120 Uiso 1 1 calc R . .
C71 C 0.215(2) 0.6476(19) 0.2814(12) 0.102(4) Uani 1 1 d U . .
H71 H 0.1632 0.6321 0.3082 0.122 Uiso 1 1 calc R . .
C72 C 0.3145(19) 0.6038(19) 0.2805(12) 0.102(4) Uani 1 1 d U . .
H72 H 0.3265 0.5594 0.3094 0.122 Uiso 1 1 calc R . .
C73 C 0.5692(12) 0.5758(11) 0.1484(6) 0.033(4) Uani 1 1 d . . .
C74 C 0.4964(13) 0.5673(12) 0.1111(7) 0.042(5) Uani 1 1 d . . .
H74 H 0.4334 0.5533 0.1263 0.050 Uiso 1 1 calc R . .
C75 C 0.5145(15) 0.5790(13) 0.0520(8) 0.052(5) Uani 1 1 d . . .
H75 H 0.4655 0.5725 0.0269 0.063 Uiso 1 1 calc R . .
C76 C 0.6126(19) 0.6017(15) 0.0307(8) 0.072(7) Uani 1 1 d . . .
H76 H 0.6279 0.6126 -0.0089 0.086 Uiso 1 1 calc R . .
C77 C 0.6800(15) 0.6072(13) 0.0669(9) 0.052(5) Uani 1 1 d . . .
C78 C 0.6652(13) 0.5967(11) 0.1266(7) 0.038(4) Uani 1 1 d . . .
H78 H 0.7155 0.6031 0.1509 0.046 Uiso 1 1 calc R . .
C79 C 0.7343(11) 0.4500(10) 0.2677(7) 0.028(4) Uani 1 1 d . . .
C80 C 0.8338(11) 0.4176(12) 0.2416(7) 0.037(4) Uani 1 1 d . . .
H80 H 0.8236 0.3665 0.2166 0.044 Uiso 1 1 calc R . .
C81 C 0.8833(12) 0.4964(14) 0.2039(8) 0.048(5) Uani 1 1 d . . .
C82 C 0.9020(15) 0.5781(16) 0.2266(11) 0.080(8) Uani 1 1 d . . .
H82 H 0.8850 0.5860 0.2659 0.097 Uiso 1 1 calc R . .
C83 C 0.9449(18) 0.649(2) 0.1940(13) 0.109(8) Uani 1 1 d U . .
H83 H 0.9546 0.7056 0.2094 0.131 Uiso 1 1 calc R . .
C84 C 0.9740(19) 0.631(2) 0.1350(13) 0.109(7) Uani 1 1 d U . .
H84 H 1.0079 0.6762 0.1119 0.131 Uiso 1 1 calc R . .
C85 C 0.9542(19) 0.554(2) 0.1127(13) 0.109(8) Uani 1 1 d U . .
H85 H 0.9713 0.5462 0.0735 0.131 Uiso 1 1 calc R . .
C86 C 0.9084(17) 0.4817(18) 0.1454(9) 0.088(8) Uani 1 1 d . . .
H86 H 0.8952 0.4264 0.1290 0.105 Uiso 1 1 calc R . .
C87 C 0.7266(13) 0.3604(13) 0.4372(7) 0.044(5) Uani 1 1 d . . .
C88 C 0.6909(17) 0.4387(16) 0.4622(9) 0.074(7) Uani 1 1 d . . .
H88 H 0.7069 0.4965 0.4455 0.089 Uiso 1 1 calc R . .
C89 C 0.6281(19) 0.430(2) 0.5148(11) 0.093(9) Uani 1 1 d . . .
H89 H 0.6046 0.4818 0.5334 0.112 Uiso 1 1 calc R . .
C90 C 0.6035(19) 0.345(2) 0.5370(10) 0.092(9) Uani 1 1 d . . .
H90 H 0.5627 0.3376 0.5709 0.110 Uiso 1 1 calc R . .
C91 C 0.639(2) 0.270(2) 0.5090(12) 0.104(10) Uani 1 1 d . . .
C92 C 0.7013(16) 0.2747(16) 0.4599(8) 0.067(6) Uani 1 1 d . . .
H92 H 0.7254 0.2216 0.4426 0.080 Uiso 1 1 calc R . .
C93 C 0.9132(14) 0.4922(13) 0.3922(8) 0.048(5) Uani 1 1 d . . .
C94 C 1.0045(18) 0.4803(19) 0.4092(10) 0.091(6) Uani 1 1 d U . .
H94 H 1.0352 0.4230 0.4125 0.109 Uiso 1 1 calc R . .
C95 C 1.049(2) 0.562(2) 0.4215(12) 0.103(5) Uani 1 1 d U . .
C96 C 1.011(2) 0.644(2) 0.4170(12) 0.100(6) Uani 1 1 d U . .
H96 H 1.0483 0.6941 0.4258 0.120 Uiso 1 1 calc R . .
C97 C 0.923(2) 0.6594(19) 0.4007(13) 0.113(10) Uani 1 1 d . . .
H97 H 0.8960 0.7181 0.3970 0.136 Uiso 1 1 calc R . .
C98 C 0.8735(18) 0.5798(18) 0.3893(12) 0.093(8) Uani 1 1 d . . .
H98 H 0.8094 0.5865 0.3791 0.112 Uiso 1 1 calc R . .
C99 C 0.9315(13) 0.2640(12) 0.3889(7) 0.043(5) Uani 1 1 d . . .
C100 C 0.9867(12) 0.2167(12) 0.3479(8) 0.043(5) Uani 1 1 d . . .
H100 H 0.9837 0.2327 0.3086 0.052 Uiso 1 1 calc R . .
C101 C 1.0481(14) 0.1438(15) 0.3654(10) 0.069(6) Uani 1 1 d . . .
H101 H 1.0852 0.1126 0.3369 0.082 Uiso 1 1 calc R . .
C102 C 1.0552(19) 0.1177(17) 0.4209(10) 0.087(6) Uani 1 1 d U . .
H102 H 1.0967 0.0702 0.4325 0.105 Uiso 1 1 calc R . .
C103 C 0.998(2) 0.1654(17) 0.4589(9) 0.087(5) Uani 1 1 d U . .
C104 C 0.9384(18) 0.2406(16) 0.4474(8) 0.083(6) Uani 1 1 d U . .
H104 H 0.9053 0.2731 0.4768 0.099 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 O2 1.972(10) . ?
Sb1 C21 2.123(15) . ?
Sb1 C15 2.132(19) . ?
Sb1 C9 2.155(14) . ?
Sb1 O9 2.193(10) . ?
Sb1 O8 2.316(11) . ?
Sb2 O11 1.981(9) . ?
Sb2 C35 2.136(17) . ?
Sb2 C41 2.139(16) . ?
Sb2 C47 2.152(17) . ?
Sb2 O5 2.177(11) . ?
Sb2 O4 2.335(10) . ?
Sb3 O10 1.988(11) . ?
Sb3 C67 2.10(2) . ?
Sb3 C61 2.129(16) . ?
Sb3 C73 2.149(15) . ?
Sb3 O6 2.200(11) . ?
Sb3 O12 2.366(10) . ?
Sb4 O7 1.992(10) . ?
Sb4 C99 2.133(17) . ?
Sb4 C93 2.139(17) . ?
Sb4 C87 2.147(17) . ?
Sb4 O1 2.184(10) . ?
Sb4 O3 2.360(11) . ?
O1 C79 1.295(17) . ?
O2 C2 1.394(17) . ?
O3 C27 1.260(18) . ?
O4 C1 1.243(17) . ?
O5 C27 1.268(17) . ?
O6 C53 1.271(18) . ?
O7 C80 1.401(17) . ?
O8 C53 1.242(18) . ?
O9 C1 1.236(18) . ?
O10 C54 1.376(17) . ?
O11 C28 1.418(17) . ?
O12 C79 1.223(17) . ?
F1 C13 1.37(2) . ?
F2 C19 1.31(2) . ?
F3 C25 1.30(2) . ?
F4 C37 1.37(2) . ?
F5 C43 1.36(2) . ?
F6 C49 1.33(3) . ?
F7 C65 1.37(2) . ?
F8 C69 1.33(3) . ?
F9 C77 1.36(2) . ?
F10 C91 1.34(3) . ?
F11 C95 1.34(3) . ?
F12 C103 1.35(2) . ?
C1 C2 1.56(2) . ?
C2 C3 1.49(2) . ?
C3 C8 1.36(2) . ?
C3 C4 1.40(2) . ?
C4 C5 1.40(3) . ?
C5 C6 1.33(3) . ?
C6 C7 1.38(3) . ?
C7 C8 1.40(2) . ?
C9 C10 1.37(2) . ?
C9 C14 1.41(2) . ?
C10 C11 1.37(2) . ?
C11 C12 1.38(3) . ?
C12 C13 1.34(3) . ?
C13 C14 1.35(2) . ?
C15 C16 1.38(3) . ?
C15 C20 1.41(2) . ?
C16 C17 1.43(3) . ?
C17 C18 1.38(3) . ?
C18 C19 1.41(3) . ?
C19 C20 1.36(3) . ?
C21 C26 1.37(2) . ?
C21 C22 1.41(2) . ?
C22 C23 1.38(2) . ?
C23 C24 1.33(3) . ?
C24 C25 1.37(3) . ?
C25 C26 1.39(3) . ?
C27 C28 1.51(2) . ?
C28 C29 1.50(2) . ?
C29 C34 1.378(10) . ?
C29 C30 1.380(10) . ?
C30 C31 1.374(10) . ?
C31 C32 1.373(10) . ?
C32 C33 1.373(10) . ?
C33 C34 1.376(10) . ?
C35 C36 1.37(2) . ?
C35 C40 1.39(2) . ?
C36 C37 1.36(3) . ?
C37 C38 1.38(3) . ?
C38 C39 1.33(3) . ?
C39 C40 1.40(3) . ?
C41 C42 1.37(2) . ?
C41 C46 1.41(2) . ?
C42 C43 1.36(2) . ?
C43 C44 1.35(3) . ?
C44 C45 1.36(3) . ?
C45 C46 1.38(2) . ?
C47 C48 1.38(2) . ?
C47 C52 1.39(2) . ?
C48 C49 1.40(3) . ?
C49 C50 1.38(3) . ?
C50 C51 1.34(3) . ?
C51 C52 1.42(3) . ?
C53 C54 1.52(2) . ?
C54 C55 1.53(2) . ?
C55 C60 1.32(3) . ?
C55 C56 1.37(3) . ?
C56 C57 1.42(3) . ?
C57 C58 1.32(4) . ?
C58 C59 1.37(4) . ?
C59 C60 1.40(3) . ?
C61 C66 1.36(2) . ?
C61 C62 1.36(3) . ?
C62 C63 1.39(3) . ?
C63 C64 1.35(3) . ?
C64 C65 1.35(3) . ?
C65 C66 1.38(3) . ?
C67 C72 1.31(3) . ?
C67 C68 1.41(3) . ?
C68 C69 1.45(3) . ?
C69 C70 1.20(3) . ?
C70 C71 1.35(3) . ?
C71 C72 1.49(3) . ?
C73 C74 1.38(2) . ?
C73 C78 1.40(2) . ?
C74 C75 1.37(2) . ?
C75 C76 1.43(3) . ?
C76 C77 1.30(3) . ?
C77 C78 1.38(2) . ?
C79 C80 1.53(2) . ?
C80 C81 1.54(2) . ?
C81 C82 1.36(3) . ?
C81 C86 1.39(3) . ?
C82 C83 1.36(3) . ?
C83 C84 1.42(4) . ?
C84 C85 1.30(4) . ?
C85 C86 1.39(3) . ?
C87 C88 1.37(2) . ?
C87 C92 1.37(3) . ?
C88 C89 1.44(3) . ?
C89 C90 1.35(3) . ?
C90 C91 1.35(4) . ?
C91 C92 1.36(3) . ?
C93 C94 1.35(3) . ?
C93 C98 1.38(3) . ?
C94 C95 1.40(3) . ?
C95 C96 1.29(4) . ?
C96 C97 1.30(3) . ?
C97 C98 1.40(3) . ?
C99 C100 1.37(2) . ?
C99 C104 1.39(2) . ?
C100 C101 1.41(2) . ?
C101 C102 1.33(3) . ?
C102 C103 1.34(3) . ?
C103 C104 1.38(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
O2 Sb1 C21 94.6(5) . . ?
O2 Sb1 C15 156.2(6) . . ?
C21 Sb1 C15 96.4(7) . . ?
O2 Sb1 C9 93.0(5) . . ?
C21 Sb1 C9 101.6(6) . . ?
C15 Sb1 C9 105.3(7) . . ?
O2 Sb1 O9 75.9(4) . . ?
C21 Sb1 O9 95.5(5) . . ?
C15 Sb1 O9 82.1(6) . . ?
C9 Sb1 O9 160.3(5) . . ?
O2 Sb1 O8 84.6(4) . . ?
C21 Sb1 O8 173.3(5) . . ?
C15 Sb1 O8 82.0(6) . . ?
C9 Sb1 O8 85.1(5) . . ?
O9 Sb1 O8 77.8(4) . . ?
O11 Sb2 C35 90.7(5) . . ?
O11 Sb2 C41 157.8(5) . . ?
C35 Sb2 C41 100.1(6) . . ?
O11 Sb2 C47 96.8(6) . . ?
C35 Sb2 C47 101.3(6) . . ?
C41 Sb2 C47 99.9(6) . . ?
O11 Sb2 O5 77.0(4) . . ?
C35 Sb2 O5 162.8(6) . . ?
C41 Sb2 O5 87.8(5) . . ?
C47 Sb2 O5 92.2(5) . . ?
O11 Sb2 O4 83.2(4) . . ?
C35 Sb2 O4 89.6(5) . . ?
C41 Sb2 O4 77.6(5) . . ?
C47 Sb2 O4 169.1(5) . . ?
O5 Sb2 O4 77.1(4) . . ?
O10 Sb3 C67 95.3(9) . . ?
O10 Sb3 C61 92.6(6) . . ?
C67 Sb3 C61 100.0(9) . . ?
O10 Sb3 C73 154.1(5) . . ?
C67 Sb3 C73 100.2(8) . . ?
C61 Sb3 C73 104.8(6) . . ?
O10 Sb3 O6 75.8(4) . . ?
C67 Sb3 O6 93.2(8) . . ?
C61 Sb3 O6 163.2(5) . . ?
C73 Sb3 O6 82.7(5) . . ?
O10 Sb3 O12 82.9(4) . . ?
C67 Sb3 O12 171.6(8) . . ?
C61 Sb3 O12 88.2(5) . . ?
C73 Sb3 O12 78.8(5) . . ?
O6 Sb3 O12 78.4(4) . . ?
O7 Sb4 C99 93.2(5) . . ?
O7 Sb4 C93 93.4(6) . . ?
C99 Sb4 C93 102.4(7) . . ?
O7 Sb4 C87 158.7(6) . . ?
C99 Sb4 C87 99.3(6) . . ?
C93 Sb4 C87 100.6(7) . . ?
O7 Sb4 O1 78.0(4) . . ?
C99 Sb4 O1 161.3(5) . . ?
C93 Sb4 O1 94.7(6) . . ?
C87 Sb4 O1 84.8(5) . . ?
O7 Sb4 O3 82.5(4) . . ?
C99 Sb4 O3 85.1(6) . . ?
C93 Sb4 O3 171.7(6) . . ?
C87 Sb4 O3 81.6(6) . . ?
O1 Sb4 O3 77.4(4) . . ?
C79 O1 Sb4 111.9(9) . . ?
C2 O2 Sb1 118.3(9) . . ?
C27 O3 Sb4 135.1(10) . . ?
C1 O4 Sb2 141.7(11) . . ?
C27 O5 Sb2 115.3(11) . . ?
C53 O6 Sb3 112.9(10) . . ?
C80 O7 Sb4 117.7(9) . . ?
C53 O8 Sb1 132.0(10) . . ?
C1 O9 Sb1 113.6(10) . . ?
C54 O10 Sb3 117.9(9) . . ?
C28 O11 Sb2 118.8(9) . . ?
C79 O12 Sb3 136.7(10) . . ?
O9 C1 O4 127.8(15) . . ?
O9 C1 C2 116.6(13) . . ?
O4 C1 C2 115.6(14) . . ?
O2 C2 C3 111.9(12) . . ?
O2 C2 C1 108.7(13) . . ?
C3 C2 C1 110.3(12) . . ?
C8 C3 C4 118.7(16) . . ?
C8 C3 C2 122.4(16) . . ?
C4 C3 C2 118.9(15) . . ?
C3 C4 C5 119(2) . . ?
C6 C5 C4 122(2) . . ?
C5 C6 C7 121(2) . . ?
C6 C7 C8 118(2) . . ?
C3 C8 C7 122(2) . . ?
C10 C9 C14 120.8(14) . . ?
C10 C9 Sb1 123.5(13) . . ?
C14 C9 Sb1 115.7(11) . . ?
C11 C10 C9 119.4(18) . . ?
C10 C11 C12 121.8(17) . . ?
C13 C12 C11 116.0(17) . . ?
C12 C13 C14 126.7(19) . . ?
C12 C13 F1 117.2(18) . . ?
C14 C13 F1 116.1(18) . . ?
C13 C14 C9 115.1(16) . . ?
C16 C15 C20 118.6(18) . . ?
C16 C15 Sb1 119.1(14) . . ?
C20 C15 Sb1 122.1(15) . . ?
C15 C16 C17 126(2) . . ?
C18 C17 C16 114(2) . . ?
C17 C18 C19 120(2) . . ?
F2 C19 C20 121(2) . . ?
F2 C19 C18 113(2) . . ?
C20 C19 C18 126(2) . . ?
C19 C20 C15 116(2) . . ?
C26 C21 C22 116.0(16) . . ?
C26 C21 Sb1 121.5(13) . . ?
C22 C21 Sb1 122.1(13) . . ?
C23 C22 C21 121.2(18) . . ?
C24 C23 C22 121(2) . . ?
C23 C24 C25 120(2) . . ?
F3 C25 C24 122(2) . . ?
F3 C25 C26 118(2) . . ?
C24 C25 C26 120(2) . . ?
C21 C26 C25 121.8(18) . . ?
O3 C27 O5 126.0(16) . . ?
O3 C27 C28 117.5(14) . . ?
O5 C27 C28 116.4(15) . . ?
O11 C28 C29 108.8(13) . . ?
O11 C28 C27 111.0(13) . . ?
C29 C28 C27 112.6(13) . . ?
C34 C29 C30 118.9(18) . . ?
C34 C29 C28 122.1(15) . . ?
C30 C29 C28 118.8(14) . . ?
C31 C30 C29 120.8(19) . . ?
C32 C31 C30 118.4(19) . . ?
C31 C32 C33 122.8(19) . . ?
C32 C33 C34 117.4(19) . . ?
C33 C34 C29 121.7(19) . . ?
C36 C35 C40 120.1(18) . . ?
C36 C35 Sb2 120.7(14) . . ?
C40 C35 Sb2 118.5(14) . . ?
C37 C36 C35 117.1(18) . . ?
C36 C37 F4 118(2) . . ?
C36 C37 C38 125(2) . . ?
F4 C37 C38 117(2) . . ?
C39 C38 C37 117(2) . . ?
C38 C39 C40 122(2) . . ?
C35 C40 C39 119(2) . . ?
C42 C41 C46 120.1(16) . . ?
C42 C41 Sb2 118.5(12) . . ?
C46 C41 Sb2 121.3(13) . . ?
C43 C42 C41 116.2(17) . . ?
C44 C43 F5 116.2(19) . . ?
C44 C43 C42 126(2) . . ?
F5 C43 C42 118(2) . . ?
C43 C44 C45 118(2) . . ?
C44 C45 C46 119(2) . . ?
C45 C46 C41 120.4(19) . . ?
C48 C47 C52 119.6(17) . . ?
C48 C47 Sb2 119.2(14) . . ?
C52 C47 Sb2 121.2(14) . . ?
C47 C48 C49 118(2) . . ?
F6 C49 C50 120(2) . . ?
F6 C49 C48 117(3) . . ?
C50 C49 C48 121(2) . . ?
C51 C50 C49 122(2) . . ?
C50 C51 C52 117(2) . . ?
C47 C52 C51 122(2) . . ?
O8 C53 O6 125.3(14) . . ?
O8 C53 C54 118.8(15) . . ?
O6 C53 C54 115.9(14) . . ?
O10 C54 C53 111.2(13) . . ?
O10 C54 C55 109.3(12) . . ?
C53 C54 C55 110.5(13) . . ?
C60 C55 C56 117.6(19) . . ?
C60 C55 C54 120.9(18) . . ?
C56 C55 C54 121.5(16) . . ?
C55 C56 C57 120(2) . . ?
C58 C57 C56 119(3) . . ?
C57 C58 C59 123(3) . . ?
C58 C59 C60 114(3) . . ?
C55 C60 C59 126(3) . . ?
C66 C61 C62 121.0(17) . . ?
C66 C61 Sb3 119.6(13) . . ?
C62 C61 Sb3 119.1(14) . . ?
C61 C62 C63 118.2(18) . . ?
C64 C63 C62 122(2) . . ?
C65 C64 C63 117(2) . . ?
C64 C65 F7 118(2) . . ?
C64 C65 C66 123.6(19) . . ?
F7 C65 C66 118(2) . . ?
C61 C66 C65 117.9(18) . . ?
C72 C67 C68 118(3) . . ?
C72 C67 Sb3 124(2) . . ?
C68 C67 Sb3 117(2) . . ?
C67 C68 C69 116(3) . . ?
C70 C69 F8 125(3) . . ?
C70 C69 C68 121(3) . . ?
F8 C69 C68 114(3) . . ?
C69 C70 C71 129(3) . . ?
C70 C71 C72 111(3) . . ?
C67 C72 C71 124(3) . . ?
C74 C73 C78 120.5(15) . . ?
C74 C73 Sb3 116.6(12) . . ?
C78 C73 Sb3 122.9(11) . . ?
C75 C74 C73 121.7(17) . . ?
C74 C75 C76 117.0(17) . . ?
C77 C76 C75 119.9(19) . . ?
C76 C77 F9 119(2) . . ?
C76 C77 C78 125(2) . . ?
F9 C77 C78 115.8(17) . . ?
C77 C78 C73 115.7(16) . . ?
O12 C79 O1 125.1(14) . . ?
O12 C79 C80 118.3(14) . . ?
O1 C79 C80 116.3(13) . . ?
O7 C80 C79 111.9(13) . . ?
O7 C80 C81 110.0(14) . . ?
C79 C80 C81 109.8(13) . . ?
C82 C81 C86 121(2) . . ?
C82 C81 C80 121.3(18) . . ?
C86 C81 C80 118(2) . . ?
C81 C82 C83 122(3) . . ?
C82 C83 C84 117(3) . . ?
C85 C84 C83 121(3) . . ?
C84 C85 C86 123(3) . . ?
C81 C86 C85 117(3) . . ?
C88 C87 C92 121.8(19) . . ?
C88 C87 Sb4 117.6(16) . . ?
C92 C87 Sb4 120.3(14) . . ?
C87 C88 C89 118(2) . . ?
C90 C89 C88 119(2) . . ?
C91 C90 C89 119(3) . . ?
F10 C91 C90 115(3) . . ?
F10 C91 C92 121(3) . . ?
C90 C91 C92 124(3) . . ?
C91 C92 C87 117(2) . . ?
C94 C93 C98 119(2) . . ?
C94 C93 Sb4 119.0(16) . . ?
C98 C93 Sb4 121.9(16) . . ?
C93 C94 C95 113(3) . . ?
C96 C95 F11 121(3) . . ?
C96 C95 C94 126(3) . . ?
F11 C95 C94 112(3) . . ?
C95 C96 C97 122(3) . . ?
C96 C97 C98 114(3) . . ?
C93 C98 C97 124(3) . . ?
C100 C99 C104 119.5(17) . . ?
C100 C99 Sb4 122.3(13) . . ?
C104 C99 Sb4 118.2(13) . . ?
C99 C100 C101 119.8(18) . . ?
C102 C101 C100 123(2) . . ?
C101 C102 C103 115(2) . . ?
C102 C103 F12 114(2) . . ?
C102 C103 C104 128(2) . . ?
F12 C103 C104 117(2) . . ?
C103 C104 C99 115.1(19) . . ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         1.812
_refine_diff_density_min         -1.254
_refine_diff_density_rms         0.185





data_global


data_130302c
#TrackingRef '130302c.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C108 H58 F36 O13 Sb4'
_chemical_formula_weight         2734.54

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'
F F 0.0171 0.0103 '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   'C2/c '

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

_cell_length_a                   25.7941(9)
_cell_length_b                   16.1264(6)
_cell_length_c                   49.486(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.146(4)
_cell_angle_gamma                90.00
_cell_volume                     20045.0(14)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6358
_cell_measurement_theta_min      2.5901
_cell_measurement_theta_max      28.3641

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.36
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.812
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             10704
_exptl_absorpt_coefficient_mu    1.199
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6086
_exptl_absorpt_correction_T_max  0.6722
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  'multiwire proportional'
_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            38166
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_av_sigmaI/netI    0.1144
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_theta_min         2.60
_diffrn_reflns_theta_max         25.02
_reflns_number_total             17662
_reflns_number_gt                12459
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_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)+(0.0000P)²+189.2621P] 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         17662
_refine_ls_number_parameters     1484
_refine_ls_number_restraints     5147
_refine_ls_R_factor_all          0.1085
_refine_ls_R_factor_gt           0.0726
_refine_ls_wR_factor_ref         0.1359
_refine_ls_wR_factor_gt          0.1201
_refine_ls_goodness_of_fit_ref   1.180
_refine_ls_restrained_S_all      1.083
_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
Sb1 Sb 0.63775(2) 0.91117(4) 0.685193(11) 0.01829(14) Uani 1 1 d U . .
Sb2 Sb 0.660045(19) 0.88507(3) 0.571555(11) 0.01636(13) Uani 1 1 d U . .
Sb3 Sb 0.53520(2) 0.60076(4) 0.672490(11) 0.01802(13) Uani 1 1 d U . .
Sb4 Sb 0.464968(19) 0.67707(3) 0.552119(11) 0.01439(13) Uani 1 1 d U . .
F1 F 0.4554(2) 0.8982(4) 0.72271(13) 0.0606(18) Uani 1 1 d U . .
F2 F 0.4162(2) 1.0404(4) 0.69701(15) 0.0691(19) Uani 1 1 d U . .
F3 F 0.4714(2) 1.1234(4) 0.66542(16) 0.076(2) Uani 1 1 d U . .
F4 F 0.6949(3) 1.2223(4) 0.71677(16) 0.084(2) Uani 1 1 d U . .
F5 F 0.7427(2) 1.2546(3) 0.67486(13) 0.0468(15) Uani 1 1 d U . .
F6 F 0.7474(3) 1.1385(4) 0.63759(14) 0.076(2) Uani 1 1 d U . .
F7 F 0.6677(2) 0.8966(4) 0.79848(11) 0.0583(17) Uani 1 1 d U . .
F8 F 0.7746(2) 0.9046(4) 0.80592(11) 0.0573(16) Uani 1 1 d U . .
F9 F 0.8200(2) 0.8974(4) 0.76206(12) 0.0578(17) Uani 1 1 d U . .
F10 F 0.53731(18) 0.7900(3) 0.47231(10) 0.0365(13) Uani 1 1 d U . .
F11 F 0.62074(19) 0.7641(4) 0.44882(10) 0.0405(14) Uani 1 1 d U . .
F12 F 0.72010(19) 0.7983(4) 0.47728(10) 0.0496(16) Uani 1 1 d U . .
F13 F 0.6707(2) 1.1727(4) 0.51813(13) 0.0561(17) Uani 1 1 d U . .
F14 F 0.76081(19) 1.2262(3) 0.55245(12) 0.0436(14) Uani 1 1 d U . .
F15 F 0.80986(19) 1.1323(3) 0.59580(11) 0.0403(14) Uani 1 1 d U . .
F16 F 0.80200(19) 0.6321(3) 0.57832(11) 0.0384(13) Uani 1 1 d U . .
F17 F 0.86507(18) 0.6841(4) 0.62571(11) 0.0427(14) Uani 1 1 d U . .
F18 F 0.83675(18) 0.8163(4) 0.65241(10) 0.0385(13) Uani 1 1 d U . .
F19 F 0.68885(19) 0.4194(3) 0.63714(11) 0.0410(14) Uani 1 1 d U . .
F20 F 0.6352(2) 0.2773(4) 0.63562(15) 0.0664(19) Uani 1 1 d U . .
F21 F 0.5409(3) 0.2749(4) 0.6505(2) 0.106(3) Uani 1 1 d U . .
F22 F 0.32854(19) 0.4969(4) 0.64693(12) 0.0529(16) Uani 1 1 d U . .
F23 F 0.3299(2) 0.4444(4) 0.69859(12) 0.0543(17) Uani 1 1 d U . .
F24 F 0.4207(2) 0.4522(4) 0.73868(11) 0.0541(17) Uani 1 1 d U . .
F25 F 0.5705(2) 0.7290(4) 0.77612(11) 0.0493(16) Uani 1 1 d U . .
F26 F 0.6690(2) 0.6671(4) 0.79228(11) 0.0589(17) Uani 1 1 d U . .
F27 F 0.7113(2) 0.5769(4) 0.75670(12) 0.0659(19) Uani 1 1 d U . .
F28 F 0.40214(19) 0.4017(3) 0.59905(10) 0.0382(13) Uani 1 1 d U . .
F29 F 0.31062(17) 0.3864(3) 0.56028(10) 0.0329(12) Uani 1 1 d U . .
F30 F 0.28155(17) 0.5024(3) 0.52044(10) 0.0321(12) Uani 1 1 d U . .
F31 F 0.3844(2) 0.7119(4) 0.44087(11) 0.0530(16) Uani 1 1 d U . .
F32 F 0.4623(2) 0.6221(4) 0.42665(10) 0.0501(15) Uani 1 1 d U . .
F33 F 0.5405(2) 0.5555(4) 0.46642(11) 0.0486(15) Uani 1 1 d U . .
F34 F 0.4239(2) 0.9924(3) 0.51549(13) 0.0489(15) Uani 1 1 d U . .
F35 F 0.3371(2) 1.0098(3) 0.53708(12) 0.0468(15) Uani 1 1 d U . .
F36 F 0.30633(18) 0.8850(3) 0.56616(11) 0.0398(14) Uani 1 1 d U . .
O1 O 0.60299(19) 0.7876(3) 0.68282(11) 0.0199(11) Uani 1 1 d U . .
O2 O 0.60021(19) 0.6711(3) 0.65821(11) 0.0206(11) Uani 1 1 d U . .
O3 O 0.68797(19) 0.8450(3) 0.66936(11) 0.0211(11) Uani 1 1 d U . .
O4 O 0.59013(19) 0.9129(3) 0.63791(11) 0.0195(11) Uani 1 1 d U . .
O5 O 0.65274(18) 0.9104(3) 0.61306(10) 0.0187(11) Uani 1 1 d U . .
O6 O 0.58639(18) 0.9273(3) 0.56527(10) 0.0185(11) Uani 1 1 d U . .
O7 O 0.61915(19) 0.7615(3) 0.58201(11) 0.0183(11) Uani 1 1 d U . .
O8 O 0.53489(18) 0.7569(3) 0.55817(11) 0.0166(10) Uani 1 1 d U . .
O9 O 0.52391(18) 0.5993(3) 0.56654(11) 0.0178(11) Uani 1 1 d U . .
O10 O 0.50055(19) 0.6163(3) 0.62849(11) 0.0205(11) Uani 1 1 d U . .
O11 O 0.47633(19) 0.7197(3) 0.59773(11) 0.0193(11) Uani 1 1 d U . .
O12 O 0.50010(19) 0.7101(3) 0.67132(11) 0.0196(11) Uani 1 1 d U . .
O13 O 0.4824(9) 0.2030(18) 0.7821(6) 0.215(5) Uani 0.657(7) 1 d PDU A 1
O14 O 0.5000 0.1992(19) 0.7500 0.215(5) Uani 0.686(15) 2 d SPDU . 2
C1 C 0.6211(3) 0.7401(5) 0.66710(17) 0.0186(14) Uani 1 1 d U . .
C2 C 0.6697(3) 0.7682(5) 0.65710(18) 0.0211(15) Uani 1 1 d U . .
H2 H 0.6592 0.7760 0.6369 0.025 Uiso 1 1 calc R . .
C3 C 0.7132(3) 0.7017(6) 0.6633(2) 0.0296(16) Uani 1 1 d U . .
C4 C 0.7423(4) 0.6923(7) 0.6901(2) 0.050(2) Uani 1 1 d U . .
H4 H 0.7368 0.7255 0.7045 0.060 Uiso 1 1 calc R . .
C5 C 0.7829(4) 0.6260(8) 0.6944(3) 0.066(3) Uani 1 1 d U . .
H5 H 0.8048 0.6164 0.7118 0.080 Uiso 1 1 calc R . .
C6 C 0.7873(4) 0.5795(7) 0.6720(3) 0.057(2) Uani 1 1 d U . .
H6 H 0.8133 0.5385 0.6748 0.068 Uiso 1 1 calc R . .
C7 C 0.7571(4) 0.5882(7) 0.6466(2) 0.048(2) Uani 1 1 d U . .
H7 H 0.7616 0.5528 0.6325 0.058 Uiso 1 1 calc R . .
C8 C 0.7190(3) 0.6503(6) 0.6413(2) 0.0345(16) Uani 1 1 d U . .
H8 H 0.6977 0.6577 0.6236 0.041 Uiso 1 1 calc R . .
C9 C 0.6049(3) 0.9165(5) 0.61541(16) 0.0190(14) Uani 1 1 d U . .
C10 C 0.5629(3) 0.9305(5) 0.58855(16) 0.0188(14) Uani 1 1 d U . .
H10 H 0.5362 0.8863 0.5867 0.023 Uiso 1 1 calc R . .
C11 C 0.5357(3) 1.0127(6) 0.58992(17) 0.0236(16) Uani 1 1 d U . .
C12 C 0.5640(3) 1.0871(6) 0.59171(18) 0.0293(17) Uani 1 1 d U . .
H12 H 0.5999 1.0860 0.5915 0.035 Uiso 1 1 calc R . .
C13 C 0.5399(4) 1.1617(6) 0.59376(19) 0.038(2) Uani 1 1 d U . .
H13 H 0.5594 1.2106 0.5951 0.046 Uiso 1 1 calc R . .
C14 C 0.4864(4) 1.1640(7) 0.5938(2) 0.042(2) Uani 1 1 d U . .
H14 H 0.4701 1.2145 0.5956 0.050 Uiso 1 1 calc R . .
C15 C 0.4570(4) 1.0918(6) 0.59108(19) 0.038(2) Uani 1 1 d U . .
H15 H 0.4206 1.0938 0.5904 0.045 Uiso 1 1 calc R . .
C16 C 0.4815(3) 1.0172(6) 0.58940(18) 0.0289(16) Uani 1 1 d U . .
H16 H 0.4616 0.9687 0.5879 0.035 Uiso 1 1 calc R . .
C17 C 0.5773(3) 0.7235(5) 0.57299(16) 0.0162(14) Uani 1 1 d U . .
C18 C 0.5754(3) 0.6310(5) 0.57815(17) 0.0167(14) Uani 1 1 d U . .
H18 H 0.5836 0.6213 0.5982 0.020 Uiso 1 1 calc R . .
C19 C 0.6168(3) 0.5864(5) 0.56580(16) 0.0194(15) Uani 1 1 d U . .
C20 C 0.6411(3) 0.5153(6) 0.57888(19) 0.0288(17) Uani 1 1 d U . .
H20 H 0.6317 0.4958 0.5948 0.035 Uiso 1 1 calc R . .
C21 C 0.6793(3) 0.4730(6) 0.5682(2) 0.038(2) Uani 1 1 d U . .
H21 H 0.6959 0.4262 0.5772 0.045 Uiso 1 1 calc R . .
C22 C 0.6923(3) 0.5016(6) 0.5441(2) 0.034(2) Uani 1 1 d U . .
H22 H 0.7175 0.4733 0.5369 0.041 Uiso 1 1 calc R . .
C23 C 0.6683(3) 0.5712(6) 0.53096(19) 0.0291(19) Uani 1 1 d U . .
H23 H 0.6772 0.5898 0.5148 0.035 Uiso 1 1 calc R . .
C24 C 0.6308(3) 0.6138(6) 0.54173(17) 0.0246(15) Uani 1 1 d U . .
H24 H 0.6149 0.6612 0.5328 0.030 Uiso 1 1 calc R . .
C25 C 0.4886(3) 0.6922(5) 0.62197(17) 0.0179(14) Uani 1 1 d U . .
C26 C 0.4886(3) 0.7531(5) 0.64577(16) 0.0184(14) Uani 1 1 d U . .
H26 H 0.5169 0.7939 0.6461 0.022 Uiso 1 1 calc R . .
C27 C 0.4364(3) 0.7992(5) 0.64210(17) 0.0206(15) Uani 1 1 d U . .
C28 C 0.4336(3) 0.8826(6) 0.63549(19) 0.0313(16) Uani 1 1 d U . .
H28 H 0.4644 0.9104 0.6339 0.038 Uiso 1 1 calc R . .
C29 C 0.3862(3) 0.9257(6) 0.6312(2) 0.0380(18) Uani 1 1 d U . .
H29 H 0.3851 0.9815 0.6264 0.046 Uiso 1 1 calc R . .
C30 C 0.3407(3) 0.8860(6) 0.63393(19) 0.034(2) Uani 1 1 d U . .
H30 H 0.3089 0.9152 0.6314 0.041 Uiso 1 1 calc R . .
C31 C 0.3423(4) 0.8038(6) 0.6403(2) 0.036(2) Uani 1 1 d U . .
H31 H 0.3112 0.7766 0.6417 0.044 Uiso 1 1 calc R . .
C32 C 0.3903(3) 0.7598(6) 0.64484(18) 0.0310(17) Uani 1 1 d U . .
H32 H 0.3912 0.7041 0.6497 0.037 Uiso 1 1 calc R . .
C33 C 0.5609(3) 0.9505(6) 0.68840(18) 0.0265(16) Uani 1 1 d U . .
C34 C 0.5320(3) 0.9071(6) 0.70393(18) 0.0292(16) Uani 1 1 d U . .
H34 H 0.5448 0.8571 0.7122 0.035 Uiso 1 1 calc R . .
C35 C 0.4837(3) 0.9384(6) 0.7073(2) 0.0370(19) Uani 1 1 d U . .
C36 C 0.4640(4) 1.0114(7) 0.6945(2) 0.040(2) Uani 1 1 d U . .
C37 C 0.4916(4) 1.0531(7) 0.6783(2) 0.040(2) Uani 1 1 d U . .
C38 C 0.5410(3) 1.0231(6) 0.6758(2) 0.0378(18) Uani 1 1 d U . .
H38 H 0.5607 1.0528 0.6655 0.045 Uiso 1 1 calc R . .
C39 C 0.6724(3) 1.0282(5) 0.67915(18) 0.0244(15) Uani 1 1 d U . .
C40 C 0.6715(3) 1.0876(6) 0.6991(2) 0.0367(18) Uani 1 1 d U . .
H40 H 0.6557 1.0766 0.7138 0.044 Uiso 1 1 calc R . .
C41 C 0.6946(4) 1.1637(6) 0.6967(2) 0.042(2) Uani 1 1 d U . .
C42 C 0.7200(3) 1.1811(6) 0.6763(2) 0.0332(19) Uani 1 1 d U . .
C43 C 0.7216(4) 1.1209(6) 0.6576(2) 0.037(2) Uani 1 1 d U . .
C44 C 0.6989(3) 1.0435(6) 0.65877(19) 0.0317(17) Uani 1 1 d U . .
H44 H 0.7017 1.0028 0.6459 0.038 Uiso 1 1 calc R . .
C45 C 0.6800(3) 0.8964(5) 0.72709(18) 0.0263(16) Uani 1 1 d U . .
C46 C 0.6574(3) 0.8963(6) 0.74987(17) 0.0293(17) Uani 1 1 d U . .
H46 H 0.6206 0.8955 0.7475 0.035 Uiso 1 1 calc R . .
C47 C 0.6900(4) 0.8974(6) 0.77634(18) 0.0346(19) Uani 1 1 d U . .
C48 C 0.7439(4) 0.8998(6) 0.78013(19) 0.040(2) Uani 1 1 d U . .
C49 C 0.7664(3) 0.8965(6) 0.7577(2) 0.037(2) Uani 1 1 d U . .
C50 C 0.7355(3) 0.8947(6) 0.73104(18) 0.0313(17) Uani 1 1 d U . .
H50 H 0.7512 0.8925 0.7159 0.038 Uiso 1 1 calc R . .
C51 C 0.6460(3) 0.8451(5) 0.52937(17) 0.0201(14) Uani 1 1 d U . .
C52 C 0.5948(3) 0.8310(5) 0.51443(17) 0.0210(15) Uani 1 1 d U . .
H52 H 0.5659 0.8395 0.5225 0.025 Uiso 1 1 calc R . .
C53 C 0.5870(3) 0.8040(5) 0.48740(18) 0.0252(18) Uani 1 1 d U . .
C54 C 0.6286(3) 0.7916(6) 0.47503(17) 0.0271(18) Uani 1 1 d U . .
C55 C 0.6790(3) 0.8086(6) 0.48998(17) 0.0270(18) Uani 1 1 d U . .
C56 C 0.6887(3) 0.8354(5) 0.51687(17) 0.0231(16) Uani 1 1 d U . .
H56 H 0.7232 0.8470 0.5266 0.028 Uiso 1 1 calc R . .
C57 C 0.6955(3) 1.0016(5) 0.56710(17) 0.0209(15) Uani 1 1 d U . .
C58 C 0.6708(3) 1.0509(6) 0.54505(18) 0.0273(17) Uani 1 1 d U . .
H58 H 0.6393 1.0333 0.5333 0.033 Uiso 1 1 calc R . .
C59 C 0.6930(3) 1.1267(6) 0.54039(19) 0.0302(19) Uani 1 1 d U . .
C60 C 0.7393(3) 1.1532(6) 0.55774(19) 0.0276(18) Uani 1 1 d U . .
C61 C 0.7637(3) 1.1046(6) 0.57972(18) 0.0280(18) Uani 1 1 d U . .
C62 C 0.7429(3) 1.0298(6) 0.58472(18) 0.0255(16) Uani 1 1 d U . .
H62 H 0.7600 0.9976 0.5997 0.031 Uiso 1 1 calc R . .
C63 C 0.7283(3) 0.8125(5) 0.59169(16) 0.0193(14) Uani 1 1 d U . .
C64 C 0.7417(3) 0.7433(5) 0.57835(18) 0.0220(15) Uani 1 1 d U . .
H64 H 0.7200 0.7256 0.5617 0.026 Uiso 1 1 calc R . .
C65 C 0.7879(3) 0.7009(6) 0.59008(19) 0.0264(17) Uani 1 1 d U . .
C66 C 0.8202(3) 0.7261(6) 0.61459(19) 0.0260(17) Uani 1 1 d U . .
C67 C 0.8051(3) 0.7943(6) 0.62762(19) 0.0278(17) Uani 1 1 d U . .
C68 C 0.7597(3) 0.8377(5) 0.61723(17) 0.0238(15) Uani 1 1 d U . .
H68 H 0.7499 0.8825 0.6268 0.029 Uiso 1 1 calc R . .
C69 C 0.5727(3) 0.4934(6) 0.65952(19) 0.0267(16) Uani 1 1 d U . .
C70 C 0.6217(3) 0.4928(6) 0.65236(18) 0.0289(16) Uani 1 1 d U . .
H70 H 0.6409 0.5418 0.6529 0.035 Uiso 1 1 calc R . .
C71 C 0.6418(3) 0.4207(6) 0.64456(19) 0.0329(19) Uani 1 1 d U . .
C72 C 0.6146(4) 0.3472(6) 0.6436(2) 0.041(2) Uani 1 1 d U . .
C73 C 0.5675(4) 0.3484(7) 0.6513(3) 0.053(2) Uani 1 1 d U . .
C74 C 0.5454(4) 0.4195(6) 0.6590(2) 0.0415(18) Uani 1 1 d U . .
H74 H 0.5126 0.4180 0.6638 0.050 Uiso 1 1 calc R . .
C75 C 0.4657(3) 0.5404(5) 0.68045(17) 0.0218(15) Uani 1 1 d U . .
C76 C 0.4191(3) 0.5351(5) 0.65959(18) 0.0257(16) Uani 1 1 d U . .
H76 H 0.4184 0.5532 0.6417 0.031 Uiso 1 1 calc R . .
C77 C 0.3740(3) 0.5025(6) 0.66618(19) 0.0315(19) Uani 1 1 d U . .
C78 C 0.3742(3) 0.4753(6) 0.69241(19) 0.0322(19) Uani 1 1 d U . .
C79 C 0.4205(3) 0.4792(6) 0.71261(18) 0.0291(18) Uani 1 1 d U . .
C80 C 0.4667(3) 0.5115(6) 0.70700(18) 0.0272(17) Uani 1 1 d U . .
H80 H 0.4978 0.5138 0.7208 0.033 Uiso 1 1 calc R . .
C81 C 0.5807(3) 0.6205(5) 0.71349(17) 0.0224(15) Uani 1 1 d U . .
C82 C 0.5597(3) 0.6689(6) 0.73162(17) 0.0271(16) Uani 1 1 d U . .
H82 H 0.5256 0.6909 0.7261 0.033 Uiso 1 1 calc R . .
C83 C 0.5900(3) 0.6839(6) 0.75784(19) 0.0313(19) Uani 1 1 d U . .
C84 C 0.6405(4) 0.6528(6) 0.76630(19) 0.036(2) Uani 1 1 d U . .
C85 C 0.6610(3) 0.6060(6) 0.74822(19) 0.036(2) Uani 1 1 d U . .
C86 C 0.6318(3) 0.5892(6) 0.72193(18) 0.0298(16) Uani 1 1 d U . .
H86 H 0.6463 0.5571 0.7099 0.036 Uiso 1 1 calc R . .
C87 C 0.4091(3) 0.5866(5) 0.55843(16) 0.0172(14) Uani 1 1 d U . .
C88 C 0.4228(3) 0.5263(5) 0.57870(17) 0.0200(15) Uani 1 1 d U . .
H88 H 0.4547 0.5307 0.5919 0.024 Uiso 1 1 calc R . .
C89 C 0.3896(3) 0.4597(6) 0.57956(17) 0.0234(17) Uani 1 1 d U . .
C90 C 0.3423(3) 0.4515(5) 0.55968(17) 0.0220(17) Uani 1 1 d U . .
C91 C 0.3288(3) 0.5113(5) 0.53975(16) 0.0186(16) Uani 1 1 d U . .
C92 C 0.3606(3) 0.5787(5) 0.53817(16) 0.0180(15) Uani 1 1 d U . .
H92 H 0.3507 0.6181 0.5242 0.022 Uiso 1 1 calc R . .
C93 C 0.4630(3) 0.6578(5) 0.50917(16) 0.0192(15) Uani 1 1 d U . .
C94 C 0.4235(3) 0.6924(6) 0.48878(17) 0.0270(17) Uani 1 1 d U . .
H94 H 0.3971 0.7247 0.4936 0.032 Uiso 1 1 calc R . .
C95 C 0.4230(3) 0.6788(6) 0.46100(17) 0.0312(19) Uani 1 1 d U . .
C96 C 0.4622(3) 0.6325(6) 0.45360(18) 0.0300(18) Uani 1 1 d U . .
C97 C 0.5013(3) 0.5987(6) 0.47377(18) 0.0286(18) Uani 1 1 d U . .
C98 C 0.5021(3) 0.6100(5) 0.50137(17) 0.0243(16) Uani 1 1 d U . .
H98 H 0.5288 0.5857 0.5149 0.029 Uiso 1 1 calc R . .
C99 C 0.4223(3) 0.7915(5) 0.54826(16) 0.0172(14) Uani 1 1 d U . .
C100 C 0.4374(3) 0.8564(5) 0.53331(17) 0.0237(16) Uani 1 1 d U . .
H100 H 0.4669 0.8504 0.5256 0.028 Uiso 1 1 calc R . .
C101 C 0.4095(3) 0.9287(6) 0.52985(18) 0.0277(18) Uani 1 1 d U . .
C102 C 0.3647(3) 0.9387(6) 0.54038(19) 0.0302(19) Uani 1 1 d U . .
C103 C 0.3503(3) 0.8743(6) 0.55581(18) 0.0252(17) Uani 1 1 d U . .
C104 C 0.3778(3) 0.8006(5) 0.55947(17) 0.0212(16) Uani 1 1 d U . .
H104 H 0.3668 0.7575 0.5693 0.025 Uiso 1 1 calc R . .
C105 C 0.4275(10) 0.208(3) 0.7673(8) 0.210(6) Uani 0.657(7) 1 d PDU A 1
H10A H 0.4214 0.2540 0.7543 0.252 Uiso 0.657(7) 1 calc PR A 1
H10B H 0.4036 0.2125 0.7798 0.252 Uiso 0.657(7) 1 calc PR A 1
C106 C 0.4224(13) 0.124(2) 0.7525(8) 0.210(5) Uani 0.657(7) 1 d PDU A 1
H10C H 0.4509 0.1177 0.7431 0.315 Uiso 0.657(7) 1 calc PR A 1
H10D H 0.3889 0.1214 0.7392 0.315 Uiso 0.657(7) 1 calc PR A 1
H10E H 0.4241 0.0803 0.7658 0.315 Uiso 0.657(7) 1 calc PR A 1
C107 C 0.4898(12) 0.2874(19) 0.7917(8) 0.214(6) Uani 0.657(7) 1 d PDU A 1
H10F H 0.4654 0.3023 0.8032 0.257 Uiso 0.657(7) 1 calc PR A 1
H10G H 0.4862 0.3263 0.7765 0.257 Uiso 0.657(7) 1 calc PR A 1
C108 C 0.5476(12) 0.282(3) 0.8087(7) 0.223(8) Uani 0.657(7) 1 d PDU A 1
H10H H 0.5539 0.2277 0.8169 0.335 Uiso 0.657(7) 1 calc PR A 1
H10I H 0.5535 0.3230 0.8230 0.335 Uiso 0.657(7) 1 calc PR A 1
H10J H 0.5715 0.2911 0.7967 0.335 Uiso 0.657(7) 1 calc PR A 1
C109 C 0.5386(19) 0.265(3) 0.7524(14) 0.214(6) Uani 0.343(7) 1 d PDU . 2
H10K H 0.5220 0.3153 0.7570 0.257 Uiso 0.343(7) 1 d PR A 2
H10L H 0.5483 0.2736 0.7348 0.257 Uiso 0.343(7) 1 d PR A 2
C110 C 0.5874(16) 0.249(4) 0.7761(13) 0.214(6) Uani 0.343(7) 1 d PDU . 2
H11A H 0.6016 0.3004 0.7845 0.321 Uiso 0.343(7) 1 d PR A 2
H11B H 0.6134 0.2225 0.7679 0.321 Uiso 0.343(7) 1 d PR A 2
H11C H 0.5788 0.2134 0.7900 0.321 Uiso 0.343(7) 1 d PR A 2
C111 C 0.4481(8) 0.225(4) 0.7347(9) 0.208(6) Uani 0.343(7) 1 d PDU . 2
H11D H 0.4385 0.1942 0.7174 0.250 Uiso 0.343(7) 1 d PR A 2
H11E H 0.4481 0.2833 0.7304 0.250 Uiso 0.343(7) 1 d PR A 2
C112 C 0.4065(11) 0.210(5) 0.7519(15) 0.210(5) Uani 0.343(7) 1 d PDU . 2
H11F H 0.4238 0.1843 0.7691 0.315 Uiso 0.343(7) 1 d PR A 2
H11G H 0.3793 0.1741 0.7418 0.315 Uiso 0.343(7) 1 d PR A 2
H11H H 0.3907 0.2616 0.7558 0.315 Uiso 0.343(7) 1 d PR A 2


_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 O3 1.973(5) . ?
Sb1 C33 2.122(8) . ?
Sb1 C45 2.125(9) . ?
Sb1 C39 2.137(8) . ?
Sb1 O1 2.178(6) . ?
Sb1 O4 2.383(5) . ?
Sb2 O6 1.975(5) . ?
Sb2 C57 2.123(8) . ?
Sb2 C51 2.136(8) . ?
Sb2 O5 2.144(5) . ?
Sb2 C63 2.159(8) . ?
Sb2 O7 2.367(5) . ?
Sb3 O12 1.977(5) . ?
Sb3 C81 2.124(8) . ?
Sb3 C69 2.151(9) . ?
Sb3 C75 2.154(7) . ?
Sb3 O10 2.172(5) . ?
Sb3 O2 2.266(5) . ?
Sb4 O9 1.975(5) . ?
Sb4 C87 2.123(8) . ?
Sb4 C99 2.135(8) . ?
Sb4 C93 2.137(8) . ?
Sb4 O8 2.181(5) . ?
Sb4 O11 2.313(5) . ?
F1 C35 1.337(10) . ?
F2 C36 1.352(10) . ?
F3 C37 1.344(11) . ?
F4 C41 1.369(11) . ?
F5 C42 1.330(10) . ?
F6 C43 1.344(9) . ?
F7 C47 1.349(9) . ?
F8 C48 1.342(10) . ?
F9 C49 1.351(9) . ?
F10 C53 1.348(9) . ?
F11 C54 1.342(9) . ?
F12 C55 1.361(8) . ?
F13 C59 1.344(10) . ?
F14 C60 1.352(9) . ?
F15 C61 1.349(9) . ?
F16 C65 1.341(9) . ?
F17 C66 1.347(9) . ?
F18 C67 1.357(9) . ?
F19 C71 1.345(9) . ?
F20 C72 1.342(10) . ?
F21 C73 1.365(12) . ?
F22 C77 1.336(10) . ?
F23 C78 1.345(9) . ?
F24 C79 1.361(10) . ?
F25 C83 1.345(10) . ?
F26 C84 1.348(10) . ?
F27 C85 1.356(9) . ?
F28 C89 1.330(9) . ?
F29 C90 1.334(9) . ?
F30 C91 1.375(9) . ?
F31 C95 1.348(10) . ?
F32 C96 1.345(9) . ?
F33 C97 1.344(9) . ?
F34 C101 1.348(10) . ?
F35 C102 1.339(9) . ?
F36 C103 1.357(8) . ?
O1 C1 1.255(9) . ?
O2 C1 1.271(9) . ?
O3 C2 1.411(9) . ?
O4 C9 1.257(8) . ?
O5 C9 1.270(8) . ?
O6 C10 1.419(8) . ?
O7 C17 1.232(9) . ?
O8 C17 1.289(9) . ?
O9 C18 1.417(8) . ?
O10 C25 1.285(9) . ?
O11 C25 1.250(9) . ?
O12 C26 1.414(9) . ?
O13 C107 1.439(9) . ?
O13 C105 1.439(9) . ?
O14 C111 1.438(10) . ?
O14 C109 1.440(10) . ?
C1 C2 1.517(10) . ?
C2 C3 1.533(11) . ?
C2 H2 0.9800 . ?
C3 C4 1.373(13) . ?
C3 C8 1.405(12) . ?
C4 C5 1.477(14) . ?
C4 H4 0.9300 . ?
C5 C6 1.361(15) . ?
C5 H5 0.9300 . ?
C6 C7 1.326(14) . ?
C6 H6 0.9300 . ?
C7 C8 1.387(12) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C10 1.528(11) . ?
C10 C11 1.509(11) . ?
C10 H10 0.9800 . ?
C11 C16 1.395(10) . ?
C11 C12 1.397(12) . ?
C12 C13 1.368(12) . ?
C12 H12 0.9300 . ?
C13 C14 1.381(12) . ?
C13 H13 0.9300 . ?
C14 C15 1.379(13) . ?
C14 H14 0.9300 . ?
C15 C16 1.370(12) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C18 1.516(11) . ?
C18 C19 1.525(10) . ?
C18 H18 0.9800 . ?
C19 C24 1.393(10) . ?
C19 C20 1.394(11) . ?
C20 C21 1.397(11) . ?
C20 H20 0.9300 . ?
C21 C22 1.389(12) . ?
C21 H21 0.9300 . ?
C22 C23 1.373(12) . ?
C22 H22 0.9300 . ?
C23 C24 1.389(11) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.534(11) . ?
C26 C27 1.514(10) . ?
C26 H26 0.9800 . ?
C27 C32 1.380(11) . ?
C27 C28 1.383(12) . ?
C28 C29 1.380(11) . ?
C28 H28 0.9300 . ?
C29 C30 1.369(12) . ?
C29 H29 0.9300 . ?
C30 C31 1.362(13) . ?
C30 H30 0.9300 . ?
C31 C32 1.402(12) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C38 1.370(12) . ?
C33 C34 1.377(11) . ?
C34 C35 1.389(11) . ?
C34 H34 0.9300 . ?
C35 C36 1.379(14) . ?
C36 C37 1.363(13) . ?
C37 C38 1.394(11) . ?
C38 H38 0.9300 . ?
C39 C44 1.364(11) . ?
C39 C40 1.378(12) . ?
C40 C41 1.381(13) . ?
C40 H40 0.9300 . ?
C41 C42 1.351(12) . ?
C42 C43 1.348(12) . ?
C43 C44 1.385(12) . ?
C44 H44 0.9300 . ?
C45 C46 1.381(11) . ?
C45 C50 1.400(11) . ?
C46 C47 1.386(11) . ?
C46 H46 0.9300 . ?
C47 C48 1.362(12) . ?
C48 C49 1.363(12) . ?
C49 C50 1.379(12) . ?
C50 H50 0.9300 . ?
C51 C52 1.378(10) . ?
C51 C56 1.388(10) . ?
C52 C53 1.377(11) . ?
C52 H52 0.9300 . ?
C53 C54 1.366(11) . ?
C54 C55 1.368(11) . ?
C55 C56 1.367(11) . ?
C56 H56 0.9300 . ?
C57 C58 1.382(11) . ?
C57 C62 1.406(11) . ?
C58 C59 1.392(12) . ?
C58 H58 0.9300 . ?
C59 C60 1.371(12) . ?
C60 C61 1.371(12) . ?
C61 C62 1.366(12) . ?
C62 H62 0.9300 . ?
C63 C64 1.380(11) . ?
C63 C68 1.397(11) . ?
C64 C65 1.382(11) . ?
C64 H64 0.9300 . ?
C65 C66 1.369(12) . ?
C66 C67 1.375(12) . ?
C67 C68 1.361(11) . ?
C68 H68 0.9300 . ?
C69 C74 1.380(12) . ?
C69 C70 1.389(10) . ?
C70 C71 1.363(12) . ?
C70 H70 0.9300 . ?
C71 C72 1.374(13) . ?
C72 C73 1.354(12) . ?
C73 C74 1.373(13) . ?
C74 H74 0.9300 . ?
C75 C80 1.389(11) . ?
C75 C76 1.398(11) . ?
C76 C77 1.380(11) . ?
C76 H76 0.9300 . ?
C77 C78 1.369(12) . ?
C78 C79 1.372(12) . ?
C79 C80 1.385(11) . ?
C80 H80 0.9300 . ?
C81 C86 1.384(11) . ?
C81 C82 1.389(11) . ?
C82 C83 1.375(12) . ?
C82 H82 0.9300 . ?
C83 C84 1.368(12) . ?
C84 C85 1.365(12) . ?
C85 C86 1.373(12) . ?
C86 H86 0.9300 . ?
C87 C88 1.384(11) . ?
C87 C92 1.419(10) . ?
C88 C89 1.380(11) . ?
C88 H88 0.9300 . ?
C89 C90 1.389(11) . ?
C90 C91 1.366(11) . ?
C91 C92 1.376(11) . ?
C92 H92 0.9300 . ?
C93 C94 1.379(11) . ?
C93 C98 1.391(11) . ?
C94 C95 1.390(11) . ?
C94 H94 0.9300 . ?
C95 C96 1.371(12) . ?
C96 C97 1.361(12) . ?
C97 C98 1.373(11) . ?
C98 H98 0.9300 . ?
C99 C100 1.388(11) . ?
C99 C104 1.392(10) . ?
C100 C101 1.362(11) . ?
C100 H100 0.9300 . ?
C101 C102 1.381(11) . ?
C102 C103 1.388(12) . ?
C103 C104 1.375(11) . ?
C104 H104 0.9300 . ?
C105 C106 1.533(10) . ?
C105 H10A 0.9700 . ?
C105 H10B 0.9700 . ?
C106 H10C 0.9600 . ?
C106 H10D 0.9600 . ?
C106 H10E 0.9600 . ?
C107 C108 1.538(9) . ?
C107 H10F 0.9700 . ?
C107 H10G 0.9700 . ?
C108 H10H 0.9600 . ?
C108 H10I 0.9600 . ?
C108 H10J 0.9600 . ?
C109 C110 1.533(10) . ?
C109 H10K 0.9700 . ?
C109 H10L 0.9700 . ?
C110 H11A 0.9600 . ?
C110 H11B 0.9600 . ?
C110 H11C 0.9600 . ?
C111 C112 1.532(10) . ?
C111 H11D 0.9700 . ?
C111 H11E 0.9700 . ?
C112 H11F 0.9600 . ?
C112 H11G 0.9600 . ?
C112 H11H 0.9600 . ?

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
O3 Sb1 C33 154.2(3) . . ?
O3 Sb1 C45 95.1(3) . . ?
C33 Sb1 C45 104.0(3) . . ?
O3 Sb1 C39 95.1(3) . . ?
C33 Sb1 C39 100.0(3) . . ?
C45 Sb1 C39 95.6(3) . . ?
O3 Sb1 O1 77.4(2) . . ?
C33 Sb1 O1 84.1(3) . . ?
C45 Sb1 O1 93.6(3) . . ?
C39 Sb1 O1 168.6(3) . . ?
O3 Sb1 O4 81.6(2) . . ?
C33 Sb1 O4 77.8(3) . . ?
C45 Sb1 O4 174.2(3) . . ?
C39 Sb1 O4 89.5(3) . . ?
O1 Sb1 O4 81.00(19) . . ?
O6 Sb2 C57 95.7(3) . . ?
O6 Sb2 C51 90.4(3) . . ?
C57 Sb2 C51 98.5(3) . . ?
O6 Sb2 O5 78.12(19) . . ?
C57 Sb2 O5 93.7(3) . . ?
C51 Sb2 O5 164.1(2) . . ?
O6 Sb2 C63 156.0(2) . . ?
C57 Sb2 C63 101.7(3) . . ?
C51 Sb2 C63 103.1(3) . . ?
O5 Sb2 C63 84.3(2) . . ?
O6 Sb2 O7 82.2(2) . . ?
C57 Sb2 O7 172.7(3) . . ?
C51 Sb2 O7 88.5(2) . . ?
O5 Sb2 O7 79.08(19) . . ?
C63 Sb2 O7 78.5(2) . . ?
O12 Sb3 C81 92.5(3) . . ?
O12 Sb3 C69 160.6(3) . . ?
C81 Sb3 C69 102.6(3) . . ?
O12 Sb3 C75 90.8(3) . . ?
C81 Sb3 C75 101.3(3) . . ?
C69 Sb3 C75 98.1(3) . . ?
O12 Sb3 O10 77.7(2) . . ?
C81 Sb3 O10 162.2(3) . . ?
C69 Sb3 O10 84.5(3) . . ?
C75 Sb3 O10 93.8(3) . . ?
O12 Sb3 O2 84.9(2) . . ?
C81 Sb3 O2 86.3(2) . . ?
C69 Sb3 O2 84.0(3) . . ?
C75 Sb3 O2 171.5(3) . . ?
O10 Sb3 O2 78.15(19) . . ?
O9 Sb4 C87 90.1(3) . . ?
O9 Sb4 C99 156.9(3) . . ?
C87 Sb4 C99 104.7(3) . . ?
O9 Sb4 C93 96.3(3) . . ?
C87 Sb4 C93 100.6(3) . . ?
C99 Sb4 C93 98.1(3) . . ?
O9 Sb4 O8 77.3(2) . . ?
C87 Sb4 O8 162.4(3) . . ?
C99 Sb4 O8 84.0(2) . . ?
C93 Sb4 O8 93.1(2) . . ?
O9 Sb4 O11 85.4(2) . . ?
C87 Sb4 O11 90.0(2) . . ?
C99 Sb4 O11 77.2(2) . . ?
C93 Sb4 O11 169.3(3) . . ?
O8 Sb4 O11 76.88(18) . . ?
C1 O1 Sb1 112.6(5) . . ?
C1 O2 Sb3 128.0(5) . . ?
C2 O3 Sb1 117.4(4) . . ?
C9 O4 Sb1 132.7(5) . . ?
C9 O5 Sb2 113.7(5) . . ?
C10 O6 Sb2 117.2(4) . . ?
C17 O7 Sb2 137.4(5) . . ?
C17 O8 Sb4 113.6(5) . . ?
C18 O9 Sb4 119.4(5) . . ?
C25 O10 Sb3 112.5(5) . . ?
C25 O11 Sb4 141.1(5) . . ?
C26 O12 Sb3 117.8(4) . . ?
C107 O13 C105 99(2) . . ?
C111 O14 C109 112.2(15) . . ?
O1 C1 O2 124.1(7) . . ?
O1 C1 C2 118.1(7) . . ?
O2 C1 C2 117.7(7) . . ?
O3 C2 C1 110.0(6) . . ?
O3 C2 C3 111.7(6) . . ?
C1 C2 C3 110.3(7) . . ?
O3 C2 H2 108.3 . . ?
C1 C2 H2 108.3 . . ?
C3 C2 H2 108.3 . . ?
C4 C3 C8 123.5(9) . . ?
C4 C3 C2 119.1(9) . . ?
C8 C3 C2 117.3(8) . . ?
C3 C4 C5 115.7(11) . . ?
C3 C4 H4 122.2 . . ?
C5 C4 H4 122.2 . . ?
C6 C5 C4 118.0(11) . . ?
C6 C5 H5 121.0 . . ?
C4 C5 H5 121.0 . . ?
C7 C6 C5 124.9(11) . . ?
C7 C6 H6 117.6 . . ?
C5 C6 H6 117.6 . . ?
C6 C7 C8 119.7(11) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C7 C8 C3 118.2(9) . . ?
C7 C8 H8 120.9 . . ?
C3 C8 H8 120.9 . . ?
O4 C9 O5 125.0(7) . . ?
O4 C9 C10 118.7(6) . . ?
O5 C9 C10 116.3(6) . . ?
O6 C10 C11 110.9(7) . . ?
O6 C10 C9 110.7(6) . . ?
C11 C10 C9 109.6(7) . . ?
O6 C10 H10 108.5 . . ?
C11 C10 H10 108.5 . . ?
C9 C10 H10 108.5 . . ?
C16 C11 C12 117.6(8) . . ?
C16 C11 C10 121.4(8) . . ?
C12 C11 C10 121.1(7) . . ?
C13 C12 C11 121.4(8) . . ?
C13 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C12 C13 C14 119.6(10) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
C15 C14 C13 120.4(9) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 119.7(8) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C11 121.3(9) . . ?
C15 C16 H16 119.3 . . ?
C11 C16 H16 119.3 . . ?
O7 C17 O8 124.0(8) . . ?
O7 C17 C18 119.2(7) . . ?
O8 C17 C18 116.8(7) . . ?
O9 C18 C17 110.5(6) . . ?
O9 C18 C19 110.1(6) . . ?
C17 C18 C19 110.1(6) . . ?
O9 C18 H18 108.7 . . ?
C17 C18 H18 108.7 . . ?
C19 C18 H18 108.7 . . ?
C24 C19 C20 118.8(7) . . ?
C24 C19 C18 122.3(7) . . ?
C20 C19 C18 118.9(7) . . ?
C19 C20 C21 120.5(8) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C22 C21 C20 119.4(9) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C23 C22 C21 120.6(8) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 120.0(8) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C19 120.7(8) . . ?
C23 C24 H24 119.7 . . ?
C19 C24 H24 119.7 . . ?
O11 C25 O10 124.9(8) . . ?
O11 C25 C26 117.7(7) . . ?
O10 C25 C26 117.3(7) . . ?
O12 C26 C27 110.4(6) . . ?
O12 C26 C25 109.6(6) . . ?
C27 C26 C25 112.1(7) . . ?
O12 C26 H26 108.2 . . ?
C27 C26 H26 108.2 . . ?
C25 C26 H26 108.2 . . ?
C32 C27 C28 118.2(8) . . ?
C32 C27 C26 121.7(8) . . ?
C28 C27 C26 120.2(7) . . ?
C29 C28 C27 121.5(8) . . ?
C29 C28 H28 119.3 . . ?
C27 C28 H28 119.3 . . ?
C30 C29 C28 119.9(10) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C31 C30 C29 119.8(9) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C32 120.5(9) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C27 C32 C31 120.1(9) . . ?
C27 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C38 C33 C34 119.5(8) . . ?
C38 C33 Sb1 118.8(6) . . ?
C34 C33 Sb1 121.6(7) . . ?
C33 C34 C35 119.8(9) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
F1 C35 C36 119.1(8) . . ?
F1 C35 C34 120.8(9) . . ?
C36 C35 C34 120.1(8) . . ?
F2 C36 C37 119.5(10) . . ?
F2 C36 C35 120.0(8) . . ?
C37 C36 C35 120.4(8) . . ?
F3 C37 C36 119.8(8) . . ?
F3 C37 C38 121.0(9) . . ?
C36 C37 C38 119.2(10) . . ?
C33 C38 C37 120.9(9) . . ?
C33 C38 H38 119.5 . . ?
C37 C38 H38 119.5 . . ?
C44 C39 C40 119.6(8) . . ?
C44 C39 Sb1 124.0(7) . . ?
C40 C39 Sb1 116.0(6) . . ?
C39 C40 C41 118.8(8) . . ?
C39 C40 H40 120.6 . . ?
C41 C40 H40 120.6 . . ?
C42 C41 F4 118.3(9) . . ?
C42 C41 C40 122.6(9) . . ?
F4 C41 C40 119.0(8) . . ?
F5 C42 C43 121.4(8) . . ?
F5 C42 C41 121.3(9) . . ?
C43 C42 C41 117.3(9) . . ?
F6 C43 C42 116.9(8) . . ?
F6 C43 C44 120.3(8) . . ?
C42 C43 C44 122.8(8) . . ?
C39 C44 C43 118.8(9) . . ?
C39 C44 H44 120.6 . . ?
C43 C44 H44 120.6 . . ?
C46 C45 C50 119.6(8) . . ?
C46 C45 Sb1 125.3(6) . . ?
C50 C45 Sb1 114.8(6) . . ?
C45 C46 C47 119.6(8) . . ?
C45 C46 H46 120.2 . . ?
C47 C46 H46 120.2 . . ?
F7 C47 C48 120.0(8) . . ?
F7 C47 C46 119.2(8) . . ?
C48 C47 C46 120.8(8) . . ?
F8 C48 C47 119.7(9) . . ?
F8 C48 C49 120.5(9) . . ?
C47 C48 C49 119.7(8) . . ?
F9 C49 C48 118.6(8) . . ?
F9 C49 C50 120.0(8) . . ?
C48 C49 C50 121.3(8) . . ?
C49 C50 C45 118.9(8) . . ?
C49 C50 H50 120.6 . . ?
C45 C50 H50 120.6 . . ?
C52 C51 C56 120.2(8) . . ?
C52 C51 Sb2 120.2(5) . . ?
C56 C51 Sb2 119.6(6) . . ?
C53 C52 C51 118.9(7) . . ?
C53 C52 H52 120.6 . . ?
C51 C52 H52 120.6 . . ?
F10 C53 C54 118.2(8) . . ?
F10 C53 C52 120.1(7) . . ?
C54 C53 C52 121.7(8) . . ?
F11 C54 C53 121.3(8) . . ?
F11 C54 C55 120.4(7) . . ?
C53 C54 C55 118.3(8) . . ?
F12 C55 C56 120.0(7) . . ?
F12 C55 C54 118.0(8) . . ?
C56 C55 C54 122.0(7) . . ?
C55 C56 C51 118.8(8) . . ?
C55 C56 H56 120.6 . . ?
C51 C56 H56 120.6 . . ?
C58 C57 C62 118.9(8) . . ?
C58 C57 Sb2 117.3(6) . . ?
C62 C57 Sb2 123.8(6) . . ?
C57 C58 C59 120.2(8) . . ?
C57 C58 H58 119.9 . . ?
C59 C58 H58 119.9 . . ?
F13 C59 C60 119.5(8) . . ?
F13 C59 C58 120.3(8) . . ?
C60 C59 C58 120.2(9) . . ?
F14 C60 C59 119.1(9) . . ?
F14 C60 C61 121.1(8) . . ?
C59 C60 C61 119.7(8) . . ?
F15 C61 C62 121.1(8) . . ?
F15 C61 C60 117.5(8) . . ?
C62 C61 C60 121.4(8) . . ?
C61 C62 C57 119.7(9) . . ?
C61 C62 H62 120.2 . . ?
C57 C62 H62 120.2 . . ?
C64 C63 C68 120.7(8) . . ?
C64 C63 Sb2 119.0(6) . . ?
C68 C63 Sb2 120.2(6) . . ?
C63 C64 C65 119.1(8) . . ?
C63 C64 H64 120.5 . . ?
C65 C64 H64 120.5 . . ?
F16 C65 C66 117.4(8) . . ?
F16 C65 C64 121.4(8) . . ?
C66 C65 C64 121.2(8) . . ?
F17 C66 C65 120.4(8) . . ?
F17 C66 C67 121.3(8) . . ?
C65 C66 C67 118.3(8) . . ?
F18 C67 C68 119.8(8) . . ?
F18 C67 C66 117.2(8) . . ?
C68 C67 C66 123.0(9) . . ?
C67 C68 C63 117.6(8) . . ?
C67 C68 H68 121.2 . . ?
C63 C68 H68 121.2 . . ?
C74 C69 C70 118.5(8) . . ?
C74 C69 Sb3 116.0(6) . . ?
C70 C69 Sb3 125.4(7) . . ?
C71 C70 C69 120.4(9) . . ?
C71 C70 H70 119.8 . . ?
C69 C70 H70 119.8 . . ?
F19 C71 C70 121.1(9) . . ?
F19 C71 C72 117.5(8) . . ?
C70 C71 C72 121.4(8) . . ?
F20 C72 C73 122.3(10) . . ?
F20 C72 C71 120.1(8) . . ?
C73 C72 C71 117.6(9) . . ?
C72 C73 F21 117.1(10) . . ?
C72 C73 C74 123.0(10) . . ?
F21 C73 C74 119.8(9) . . ?
C73 C74 C69 119.1(9) . . ?
C73 C74 H74 120.5 . . ?
C69 C74 H74 120.5 . . ?
C80 C75 C76 120.4(7) . . ?
C80 C75 Sb3 119.2(6) . . ?
C76 C75 Sb3 120.3(6) . . ?
C77 C76 C75 118.5(8) . . ?
C77 C76 H76 120.7 . . ?
C75 C76 H76 120.7 . . ?
F22 C77 C78 117.9(7) . . ?
F22 C77 C76 120.5(8) . . ?
C78 C77 C76 121.6(8) . . ?
F23 C78 C77 120.9(8) . . ?
F23 C78 C79 119.6(8) . . ?
C77 C78 C79 119.4(8) . . ?
F24 C79 C78 119.5(7) . . ?
F24 C79 C80 119.5(8) . . ?
C78 C79 C80 121.1(8) . . ?
C79 C80 C75 119.0(8) . . ?
C79 C80 H80 120.5 . . ?
C75 C80 H80 120.5 . . ?
C86 C81 C82 119.6(8) . . ?
C86 C81 Sb3 121.0(6) . . ?
C82 C81 Sb3 119.3(6) . . ?
C83 C82 C81 119.1(8) . . ?
C83 C82 H82 120.5 . . ?
C81 C82 H82 120.5 . . ?
F25 C83 C84 117.9(8) . . ?
F25 C83 C82 120.6(8) . . ?
C84 C83 C82 121.4(8) . . ?
F26 C84 C85 120.8(8) . . ?
F26 C84 C83 120.2(8) . . ?
C85 C84 C83 119.0(8) . . ?
F27 C85 C84 118.4(8) . . ?
F27 C85 C86 120.3(8) . . ?
C84 C85 C86 121.3(8) . . ?
C85 C86 C81 119.5(8) . . ?
C85 C86 H86 120.2 . . ?
C81 C86 H86 120.2 . . ?
C88 C87 C92 119.2(7) . . ?
C88 C87 Sb4 121.4(5) . . ?
C92 C87 Sb4 118.4(6) . . ?
C89 C88 C87 120.8(8) . . ?
C89 C88 H88 119.6 . . ?
C87 C88 H88 119.6 . . ?
F28 C89 C88 121.3(7) . . ?
F28 C89 C90 118.5(7) . . ?
C88 C89 C90 120.2(8) . . ?
F29 C90 C91 121.0(7) . . ?
F29 C90 C89 120.2(8) . . ?
C91 C90 C89 118.8(8) . . ?
C90 C91 F30 117.9(7) . . ?
C90 C91 C92 122.8(7) . . ?
F30 C91 C92 119.3(7) . . ?
C91 C92 C87 118.1(8) . . ?
C91 C92 H92 120.9 . . ?
C87 C92 H92 120.9 . . ?
C94 C93 C98 118.9(8) . . ?
C94 C93 Sb4 121.0(6) . . ?
C98 C93 Sb4 120.1(6) . . ?
C93 C94 C95 119.9(8) . . ?
C93 C94 H94 120.0 . . ?
C95 C94 H94 120.0 . . ?
F31 C95 C96 118.9(8) . . ?
F31 C95 C94 120.5(8) . . ?
C96 C95 C94 120.6(8) . . ?
F32 C96 C97 120.6(8) . . ?
F32 C96 C95 120.0(8) . . ?
C97 C96 C95 119.3(8) . . ?
F33 C97 C96 119.1(8) . . ?
F33 C97 C98 119.7(8) . . ?
C96 C97 C98 121.2(8) . . ?
C97 C98 C93 120.1(8) . . ?
C97 C98 H98 119.9 . . ?
C93 C98 H98 119.9 . . ?
C100 C99 C104 119.3(7) . . ?
C100 C99 Sb4 119.8(5) . . ?
C104 C99 Sb4 120.7(6) . . ?
C101 C100 C99 120.5(8) . . ?
C101 C100 H100 119.7 . . ?
C99 C100 H100 119.7 . . ?
F34 C101 C100 121.1(8) . . ?
F34 C101 C102 117.8(8) . . ?
C100 C101 C102 121.1(8) . . ?
F35 C102 C101 121.3(8) . . ?
F35 C102 C103 120.4(8) . . ?
C101 C102 C103 118.2(8) . . ?
F36 C103 C104 120.7(8) . . ?
F36 C103 C102 117.6(7) . . ?
C104 C103 C102 121.6(7) . . ?
C103 C104 C99 119.1(8) . . ?
C103 C104 H104 120.4 . . ?
C99 C104 H104 120.4 . . ?
O13 C105 C106 99(3) . . ?
O13 C105 H10A 111.9 . . ?
C106 C105 H10A 111.9 . . ?
O13 C105 H10B 111.9 . . ?
C106 C105 H10B 111.9 . . ?
H10A C105 H10B 109.6 . . ?
O13 C105 H11F 95.3 . . ?
C106 C105 H11F 43.7 . . ?
H10A C105 H11F 147.7 . . ?
H10B C105 H11F 73.5 . . ?
O13 C105 H11H 142.0 . . ?
C106 C105 H11H 113.4 . . ?
H10A C105 H11H 38.5 . . ?
H10B C105 H11H 74.2 . . ?
H11F C105 H11H 121.6 . . ?
C105 C106 H11F 12.9 . . ?
H10C C106 H11F 118.9 . . ?
H10D C106 H11F 111.4 . . ?
H10E C106 H11F 97.2 . . ?
C105 C106 H11G 68.8 . . ?
H10C C106 H11G 121.3 . . ?
H10D C106 H11G 40.7 . . ?
H10E C106 H11G 126.8 . . ?
H11F C106 H11G 72.5 . . ?
O13 C107 C108 100(2) . . ?
O13 C107 H10F 111.9 . . ?
C108 C107 H10F 111.9 . . ?
O13 C107 H10G 111.9 . . ?
C108 C107 H10G 111.9 . . ?
H10F C107 H10G 109.6 . . ?
O14 C109 C110 111.9(15) . . ?
O14 C109 H10K 107.4 . . ?
C110 C109 H10K 106.9 . . ?
O14 C109 H10L 110.2 . . ?
C110 C109 H10L 112.2 . . ?
H10K C109 H10L 108.0 . . ?
C109 C110 H11A 110.7 . . ?
C109 C110 H11B 106.4 . . ?
H11A C110 H11B 109.5 . . ?
C109 C110 H11C 111.3 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
O14 C111 C112 110.6(15) . . ?
O14 C111 H11D 110.0 . . ?
C112 C111 H11D 110.1 . . ?
O14 C111 H11E 110.2 . . ?
C112 C111 H11E 107.8 . . ?
H11D C111 H11E 108.1 . . ?
C111 C112 H11F 108.3 . . ?
C111 C112 H11G 108.9 . . ?
H11F C112 H11G 109.5 . . ?
C111 C112 H11H 111.2 . . ?
H11F C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.459
_refine_diff_density_min         -1.138
_refine_diff_density_rms         0.155



data_global


data_120427d
#TrackingRef '120427d.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H11 Cl2 F3 Sb'
_chemical_formula_weight         476.92

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/c '

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

_cell_length_a                   15.7459(13)
_cell_length_b                   10.8520(9)
_cell_length_c                   10.6081(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.4830(10)
_cell_angle_gamma                90.00
_cell_volume                     1738.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    3245
_cell_measurement_theta_min      2.698
_cell_measurement_theta_max      28.084

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.41
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             924
_exptl_absorpt_coefficient_mu    1.920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4592
_exptl_absorpt_correction_T_max  0.5065
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      298(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            4209
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_sigmaI/netI    0.0395
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.70
_diffrn_reflns_theta_max         25.01
_reflns_number_total             1532
_reflns_number_gt                1366
_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)+(0.0524P)²+1.0478P] 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     SHELXL
_refine_ls_extinction_coef       0.0150(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1532
_refine_ls_number_parameters     116
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0335
_refine_ls_wR_factor_ref         0.0877
_refine_ls_wR_factor_gt          0.0814
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.000
_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 0.5000 0.17524(3) 0.2500 0.0312(2) Uani 1 2 d S . .
F1 F 0.2800(3) -0.2079(4) 0.2110(4) 0.0989(13) Uani 1 1 d . . .
F2 F 0.6033(5) 0.6179(5) 0.1232(8) 0.083(2) Uani 0.50 1 d P . .
Cl1 Cl 0.54059(8) 0.17047(9) 0.04243(11) 0.0434(3) Uani 1 1 d . . .
C1 C 0.3847(3) 0.0721(4) 0.1587(4) 0.0360(9) Uani 1 1 d . . .
C2 C 0.3692(3) -0.0341(4) 0.2192(4) 0.0433(10) Uani 1 1 d . . .
H2 H 0.4060 -0.0580 0.3006 0.052 Uiso 1 1 calc R . .
C3 C 0.2973(3) -0.1033(4) 0.1545(5) 0.0561(13) Uani 1 1 d . . .
C4 C 0.2410(3) -0.0706(5) 0.0359(5) 0.0626(14) Uani 1 1 d . . .
H4 H 0.1928 -0.1199 -0.0053 0.075 Uiso 1 1 calc R . .
C5 C 0.2574(3) 0.0366(6) -0.0208(5) 0.0661(15) Uani 1 1 d . . .
H5 H 0.2193 0.0610 -0.1011 0.079 Uiso 1 1 calc R . .
C6 C 0.3292(3) 0.1087(5) 0.0391(5) 0.0515(11) Uani 1 1 d . . .
H6 H 0.3403 0.1812 -0.0003 0.062 Uiso 1 1 calc R . .
C7 C 0.5000 0.3713(5) 0.2500 0.0345(12) Uani 1 2 d S . .
C8 C 0.5509(3) 0.4344(4) 0.1838(5) 0.0460(10) Uani 1 1 d . . .
H8 H 0.5843 0.3919 0.1384 0.055 Uiso 1 1 calc R . .
C9 C 0.5511(4) 0.5608(4) 0.1867(5) 0.0583(13) Uani 1 1 d . . .
C10 C 0.5000 0.6249(6) 0.2500 0.0597(19) Uani 1 2 d S . .
H10 H 0.5000 0.7106 0.2500 0.072 Uiso 1 2 calc SR . .


_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 C1 2.119(4) . ?
Sb1 C1 2.119(4) 2_655 ?
Sb1 C7 2.127(5) . ?
Sb1 Cl1 2.4613(10) . ?
Sb1 Cl1 2.4613(10) 2_655 ?
F1 C3 1.346(6) . ?
F2 C9 1.351(7) . ?
C1 C2 1.374(6) . ?
C1 C6 1.379(6) . ?
C2 C3 1.370(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.364(8) . ?
C4 C5 1.367(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.374(7) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.387(5) . ?
C7 C8 1.387(5) 2_655 ?
C8 C9 1.371(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.375(6) . ?
C10 C9 1.375(6) 2_655 ?
C10 H10 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Sb1 C1 116.2(2) . 2_655 ?
C1 Sb1 C7 121.89(11) . . ?
C1 Sb1 C7 121.89(11) 2_655 . ?
C1 Sb1 Cl1 89.21(11) . . ?
C1 Sb1 Cl1 89.51(11) 2_655 . ?
C7 Sb1 Cl1 91.21(2) . . ?
C1 Sb1 Cl1 89.51(11) . 2_655 ?
C1 Sb1 Cl1 89.21(11) 2_655 2_655 ?
C7 Sb1 Cl1 91.21(2) . 2_655 ?
Cl1 Sb1 Cl1 177.59(4) . 2_655 ?
C2 C1 C6 121.5(4) . . ?
C2 C1 Sb1 118.1(3) . . ?
C6 C1 Sb1 120.3(3) . . ?
C3 C2 C1 117.2(4) . . ?
C3 C2 H2 121.4 . . ?
C1 C2 H2 121.4 . . ?
F1 C3 C4 118.0(5) . . ?
F1 C3 C2 118.8(5) . . ?
C4 C3 C2 123.2(5) . . ?
C3 C4 C5 118.3(5) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 H4 120.9 . . ?
C4 C5 C6 120.9(5) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 119.0(5) . . ?
C5 C6 H6 120.5 . . ?
C1 C6 H6 120.5 . . ?
C8 C7 C8 120.8(5) . 2_655 ?
C8 C7 Sb1 119.6(3) . . ?
C8 C7 Sb1 119.6(3) 2_655 . ?
C9 C8 C7 118.8(4) . . ?
C9 C8 H8 120.6 . . ?
C7 C8 H8 120.6 . . ?
F2 C9 C8 116.5(5) . . ?
F2 C9 C10 122.3(5) . . ?
C8 C9 C10 121.3(5) . . ?
C9 C10 C9 119.2(6) . 2_655 ?
C9 C10 H10 120.4 . . ?
C9 C10 H10 120.4 2_655 . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.700
_refine_diff_density_min         -1.509
_refine_diff_density_rms         0.109

data_global

# Attachment '120521b.cif'


data_120521b
#TrackingRef '120521b.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H6 Cl2 F9 Sb'
_chemical_formula_weight         585.88

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/c '

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

_cell_length_a                   16.3902(13)
_cell_length_b                   11.1424(6)
_cell_length_c                   10.7202(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.8220(10)
_cell_angle_gamma                90.00
_cell_volume                     1901.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2620
_cell_measurement_theta_min      2.5595
_cell_measurement_theta_max      26.6195

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.35
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.047
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1120
_exptl_absorpt_coefficient_mu    1.820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5083
_exptl_absorpt_correction_T_max  0.5683
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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            4637
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0452
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.56
_diffrn_reflns_theta_max         25.02
_reflns_number_total             1681
_reflns_number_gt                1444
_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)+(0.0220P)²+1.8408P] 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         1681
_refine_ls_number_parameters     138
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_ref         0.0717
_refine_ls_wR_factor_gt          0.0652
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_restrained_S_all      1.127
_refine_ls_shift/su_max          0.000
_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 1.0000 0.16687(3) 0.2500 0.03519(14) Uani 1 2 d S . .
F1 F 1.28701(17) 0.0779(3) 0.6063(3) 0.1022(11) Uani 1 1 d . . .
F2 F 1.31464(17) -0.1315(3) 0.5010(3) 0.0939(10) Uani 1 1 d . . .
F3 F 1.2086(2) -0.2103(3) 0.2845(3) 0.0905(9) Uani 1 1 d . . .
F4 F 1.09411(18) 0.6038(2) 0.1164(3) 0.0794(8) Uani 1 1 d . . .
F5 F 1.0000 0.7246(3) 0.2500 0.0768(11) Uani 1 2 d S . .
Cl1 Cl 0.96089(6) 0.16101(8) 0.45636(9) 0.0479(3) Uani 1 1 d . . .
C1 C 1.1092(2) 0.0687(3) 0.3335(3) 0.0383(8) Uani 1 1 d . . .
C2 C 1.1627(2) 0.1090(4) 0.4454(4) 0.0510(10) Uani 1 1 d . . .
H2 H 1.1522 0.1804 0.4838 0.061 Uiso 1 1 calc R . .
C3 C 1.2319(2) 0.0406(5) 0.4983(4) 0.0624(13) Uani 1 1 d . . .
C4 C 1.2470(3) -0.0653(4) 0.4450(5) 0.0588(12) Uani 1 1 d . . .
C5 C 1.1930(3) -0.1048(4) 0.3351(4) 0.0565(11) Uani 1 1 d . . .
C6 C 1.1237(2) -0.0389(3) 0.2763(4) 0.0487(10) Uani 1 1 d . . .
H6 H 1.0876 -0.0652 0.2006 0.058 Uiso 1 1 calc R . .
C7 C 1.0000 0.3574(4) 0.2500 0.0351(11) Uani 1 2 d S . .
C8 C 1.0469(2) 0.4192(3) 0.1800(4) 0.0444(9) Uani 1 1 d . . .
H8 H 1.0783 0.3778 0.1323 0.053 Uiso 1 1 calc R . .
C9 C 1.0468(3) 0.5419(4) 0.1817(4) 0.0495(10) Uani 1 1 d . . .
C10 C 1.0000 0.6045(5) 0.2500 0.0457(14) Uani 1 2 d S . .


_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 C1 2.106(3) 2_755 ?
Sb1 C1 2.106(3) . ?
Sb1 C7 2.123(5) . ?
Sb1 Cl1 2.4468(10) . ?
Sb1 Cl1 2.4468(10) 2_755 ?
F1 C3 1.352(5) . ?
F2 C4 1.348(4) . ?
F3 C5 1.344(5) . ?
F4 C9 1.352(4) . ?
F5 C10 1.338(7) . ?
C1 C2 1.381(5) . ?
C1 C6 1.393(5) . ?
C2 C3 1.372(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.359(6) . ?
C4 C5 1.366(6) . ?
C5 C6 1.373(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.380(4) 2_755 ?
C7 C8 1.380(4) . ?
C8 C9 1.368(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.371(5) . ?
C10 C9 1.371(5) 2_755 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Sb1 C1 117.44(19) 2_755 . ?
C1 Sb1 C7 121.28(10) 2_755 . ?
C1 Sb1 C7 121.28(10) . . ?
C1 Sb1 Cl1 89.48(10) 2_755 . ?
C1 Sb1 Cl1 88.94(10) . . ?
C7 Sb1 Cl1 91.53(2) . . ?
C1 Sb1 Cl1 88.94(10) 2_755 2_755 ?
C1 Sb1 Cl1 89.48(10) . 2_755 ?
C7 Sb1 Cl1 91.53(2) . 2_755 ?
Cl1 Sb1 Cl1 176.94(5) . 2_755 ?
C2 C1 C6 121.5(3) . . ?
C2 C1 Sb1 120.0(3) . . ?
C6 C1 Sb1 118.5(3) . . ?
C3 C2 C1 118.0(4) . . ?
C3 C2 H2 121.0 . . ?
C1 C2 H2 121.0 . . ?
F1 C3 C4 118.4(4) . . ?
F1 C3 C2 120.0(4) . . ?
C4 C3 C2 121.6(4) . . ?
F2 C4 C3 120.1(5) . . ?
F2 C4 C5 120.1(4) . . ?
C3 C4 C5 119.8(4) . . ?
F3 C5 C4 118.9(4) . . ?
F3 C5 C6 119.9(4) . . ?
C4 C5 C6 121.2(4) . . ?
C5 C6 C1 117.9(4) . . ?
C5 C6 H6 121.1 . . ?
C1 C6 H6 121.1 . . ?
C8 C7 C8 120.1(5) 2_755 . ?
C8 C7 Sb1 119.9(2) 2_755 . ?
C8 C7 Sb1 119.9(2) . . ?
C9 C8 C7 119.3(4) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
F4 C9 C8 120.0(4) . . ?
F4 C9 C10 118.7(4) . . ?
C8 C9 C10 121.3(4) . . ?
F5 C10 C9 120.6(3) . 2_755 ?
F5 C10 C9 120.6(3) . . ?
C9 C10 C9 118.8(5) 2_755 . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.528
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.086

data_global

# Attachment 'liu20120323e.cif'


data_liu20120323e
#TrackingRef 'liu20120323e.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H12 Cl2 F3 Sb'
_chemical_formula_weight         477.93

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'
Sb Sb -0.5866 1.5461 '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'

_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                   14.6332(8)
_cell_length_b                   18.2552(7)
_cell_length_c                   15.3949(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 118.235(7)
_cell_angle_gamma                90.00
_cell_volume                     3623.2(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4013
_cell_measurement_theta_min      2.6397
_cell_measurement_theta_max      28.4587

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.36
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.752
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1856
_exptl_absorpt_coefficient_mu    1.843
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4910
_exptl_absorpt_correction_T_max  0.5568
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  'multiwire proportional'
_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            23794
_diffrn_reflns_av_R_equivalents  0.0655
_diffrn_reflns_av_sigmaI/netI    0.0653
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.65
_diffrn_reflns_theta_max         25.02
_reflns_number_total             6406
_reflns_number_gt                4183
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_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)+(0.0182P)²+0.0000P] 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         6406
_refine_ls_number_parameters     433
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.0755
_refine_ls_wR_factor_gt          0.0638
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.029
_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 0.26071(2) 0.294778(17) 0.39246(3) 0.04336(11) Uani 1 1 d . . .
Sb2 Sb 0.79586(2) 0.305202(18) 0.96483(3) 0.04722(12) Uani 1 1 d . . .
F1 F -0.0416(3) 0.0315(2) 0.2899(3) 0.1167(15) Uani 1 1 d . . .
F2 F 0.3543(3) 0.43702(17) 0.0775(3) 0.0859(11) Uani 1 1 d . . .
F3 F 0.4825(3) 0.4413(2) 0.8025(3) 0.1123(15) Uani 1 1 d . . .
F4 F 0.6057(3) 0.42248(18) 0.5364(3) 0.1048(14) Uani 1 1 d . . .
F5 F 0.6965(3) 0.4345(2) 1.2822(3) 0.1123(14) Uani 1 1 d . . .
F6 F 1.0951(4) 0.0390(2) 1.1069(3) 0.1410(19) Uani 1 1 d . . .
Cl1 Cl 0.41190(10) 0.21318(7) 0.44823(11) 0.0612(4) Uani 1 1 d . . .
Cl2 Cl 0.11906(10) 0.38420(7) 0.34605(11) 0.0595(4) Uani 1 1 d . . .
Cl3 Cl 0.64311(10) 0.22552(7) 0.91007(11) 0.0646(4) Uani 1 1 d . . .
Cl4 Cl 0.93966(10) 0.39276(8) 1.01764(11) 0.0683(4) Uani 1 1 d . . .
C1 C 0.1572(4) 0.2048(3) 0.3568(4) 0.0446(13) Uani 1 1 d . . .
C2 C 0.0551(5) 0.2159(3) 0.3292(5) 0.0709(18) Uani 1 1 d . . .
H2 H 0.0306 0.2633 0.3263 0.085 Uiso 1 1 calc R . .
C3 C -0.0134(5) 0.1569(4) 0.3052(5) 0.083(2) Uani 1 1 d . . .
H3 H -0.0835 0.1646 0.2844 0.099 Uiso 1 1 calc R . .
C4 C 0.0242(6) 0.0889(4) 0.3127(5) 0.077(2) Uani 1 1 d . . .
C5 C 0.1250(6) 0.0752(3) 0.3401(5) 0.088(2) Uani 1 1 d . . .
H5 H 0.1485 0.0274 0.3435 0.105 Uiso 1 1 calc R . .
C6 C 0.1924(5) 0.1340(3) 0.3628(4) 0.0692(18) Uani 1 1 d . . .
H6 H 0.2621 0.1256 0.3824 0.083 Uiso 1 1 calc R . .
C7 C 0.2930(4) 0.3408(2) 0.2834(4) 0.0427(13) Uani 1 1 d . . .
C8 C 0.3943(4) 0.3520(2) 0.3030(4) 0.0498(14) Uani 1 1 d . . .
H8 H 0.4486 0.3373 0.3633 0.060 Uiso 1 1 calc R . .
C9 C 0.4152(4) 0.3847(3) 0.2336(4) 0.0568(15) Uani 1 1 d . . .
H9 H 0.4831 0.3934 0.2467 0.068 Uiso 1 1 calc R . .
C10 C 0.3335(5) 0.4039(3) 0.1449(5) 0.0582(15) Uani 1 1 d . . .
C11 C 0.2329(4) 0.3928(3) 0.1223(4) 0.0614(16) Uani 1 1 d . . .
H11 H 0.1792 0.4061 0.0610 0.074 Uiso 1 1 calc R . .
C12 C 0.2125(4) 0.3613(3) 0.1930(4) 0.0557(16) Uani 1 1 d . . .
H12 H 0.1442 0.3539 0.1796 0.067 Uiso 1 1 calc R . .
C13 C 0.3335(4) 0.3429(3) 0.5330(4) 0.0423(13) Uani 1 1 d . . .
C14 C 0.3675(4) 0.3028(3) 0.6172(4) 0.0610(16) Uani 1 1 d . . .
H14 H 0.3572 0.2524 0.6130 0.073 Uiso 1 1 calc R . .
C15 C 0.4171(5) 0.3358(4) 0.7089(4) 0.0715(18) Uani 1 1 d . . .
H15 H 0.4392 0.3083 0.7662 0.086 Uiso 1 1 calc R . .
C16 C 0.4325(5) 0.4088(4) 0.7133(5) 0.0707(18) Uani 1 1 d . . .
C17 C 0.4001(5) 0.4502(3) 0.6318(5) 0.085(2) Uani 1 1 d . . .
H17 H 0.4114 0.5005 0.6371 0.102 Uiso 1 1 calc R . .
C18 C 0.3498(4) 0.4174(3) 0.5398(4) 0.0667(17) Uani 1 1 d . . .
H18 H 0.3272 0.4456 0.4830 0.080 Uiso 1 1 calc R . .
C19 C 0.7323(3) 0.3451(3) 0.8197(4) 0.0445(13) Uani 1 1 d . . .
C20 C 0.7397(4) 0.4177(3) 0.8015(4) 0.0663(18) Uani 1 1 d . . .
H20 H 0.7738 0.4497 0.8542 0.080 Uiso 1 1 calc R . .
C21 C 0.6972(5) 0.4444(3) 0.7060(5) 0.077(2) Uani 1 1 d . . .
H21 H 0.7016 0.4939 0.6940 0.092 Uiso 1 1 calc R . .
C22 C 0.6489(5) 0.3964(4) 0.6303(5) 0.0669(17) Uani 1 1 d . . .
C23 C 0.6415(4) 0.3241(3) 0.6439(4) 0.0656(17) Uani 1 1 d . . .
H23 H 0.6091 0.2925 0.5905 0.079 Uiso 1 1 calc R . .
C24 C 0.6833(4) 0.2988(3) 0.7388(4) 0.0545(14) Uani 1 1 d . . .
H24 H 0.6787 0.2491 0.7495 0.065 Uiso 1 1 calc R . .
C25 C 0.7601(4) 0.3519(2) 1.0702(4) 0.0476(14) Uani 1 1 d . . .
C26 C 0.6607(4) 0.3742(3) 1.0451(5) 0.0654(17) Uani 1 1 d . . .
H26 H 0.6082 0.3701 0.9804 0.078 Uiso 1 1 calc R . .
C27 C 0.6392(5) 0.4029(3) 1.1172(6) 0.081(2) Uani 1 1 d . . .
H27 H 0.5726 0.4185 1.1013 0.097 Uiso 1 1 calc R . .
C28 C 0.7174(5) 0.4078(3) 1.2111(5) 0.0658(17) Uani 1 1 d . . .
C29 C 0.8171(5) 0.3862(3) 1.2387(5) 0.0666(17) Uani 1 1 d . . .
H29 H 0.8688 0.3898 1.3039 0.080 Uiso 1 1 calc R . .
C30 C 0.8381(4) 0.3589(3) 1.1666(4) 0.0565(15) Uani 1 1 d . . .
H30 H 0.9054 0.3450 1.1828 0.068 Uiso 1 1 calc R . .
C31 C 0.8982(4) 0.2141(3) 1.0112(4) 0.0526(15) Uani 1 1 d . . .
C32 C 0.8647(5) 0.1470(3) 1.0262(5) 0.076(2) Uani 1 1 d . . .
H32 H 0.7966 0.1417 1.0144 0.091 Uiso 1 1 calc R . .
C33 C 0.9310(7) 0.0874(4) 1.0585(6) 0.100(3) Uani 1 1 d . . .
H33 H 0.9085 0.0422 1.0689 0.120 Uiso 1 1 calc R . .
C34 C 1.0285(7) 0.0969(4) 1.0743(5) 0.094(3) Uani 1 1 d . . .
C35 C 1.0649(5) 0.1610(5) 1.0612(5) 0.096(2) Uani 1 1 d . . .
H35 H 1.1333 0.1655 1.0736 0.115 Uiso 1 1 calc R . .
C36 C 0.9978(5) 0.2207(3) 1.0288(5) 0.0744(19) Uani 1 1 d . . .
H36 H 1.0216 0.2656 1.0190 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
Sb1 C13 2.099(5) . ?
Sb1 C7 2.120(5) . ?
Sb1 C1 2.123(5) . ?
Sb1 Cl1 2.4604(13) . ?
Sb1 Cl2 2.4638(12) . ?
Sb2 C19 2.102(5) . ?
Sb2 C25 2.105(5) . ?
Sb2 C31 2.123(5) . ?
Sb2 Cl4 2.4546(13) . ?
Sb2 Cl3 2.4577(13) . ?
F1 C4 1.353(6) . ?
F2 C10 1.354(6) . ?
F3 C16 1.350(6) . ?
F4 C22 1.361(6) . ?
F5 C28 1.357(7) . ?
F6 C34 1.361(7) . ?
C1 C2 1.361(7) . ?
C1 C6 1.379(6) . ?
C2 C3 1.397(7) . ?
C3 C4 1.340(8) . ?
C4 C5 1.352(8) . ?
C5 C6 1.386(7) . ?
C7 C8 1.381(6) . ?
C7 C12 1.384(6) . ?
C8 C9 1.380(7) . ?
C9 C10 1.368(7) . ?
C10 C11 1.358(7) . ?
C11 C12 1.382(7) . ?
C13 C14 1.361(7) . ?
C13 C18 1.377(6) . ?
C14 C15 1.383(7) . ?
C15 C16 1.348(7) . ?
C16 C17 1.344(8) . ?
C17 C18 1.385(7) . ?
C19 C20 1.370(7) . ?
C19 C24 1.391(7) . ?
C20 C21 1.387(7) . ?
C21 C22 1.358(7) . ?
C22 C23 1.348(7) . ?
C23 C24 1.371(7) . ?
C25 C26 1.378(7) . ?
C25 C30 1.386(7) . ?
C26 C27 1.391(8) . ?
C27 C28 1.357(8) . ?
C28 C29 1.372(8) . ?
C29 C30 1.377(8) . ?
C31 C36 1.355(7) . ?
C31 C32 1.380(7) . ?
C32 C33 1.383(8) . ?
C33 C34 1.341(10) . ?
C34 C35 1.339(9) . ?
C35 C36 1.391(8) . ?

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
C13 Sb1 C7 117.11(19) . . ?
C13 Sb1 C1 122.81(19) . . ?
C7 Sb1 C1 120.08(19) . . ?
C13 Sb1 Cl1 87.68(13) . . ?
C7 Sb1 Cl1 90.92(13) . . ?
C1 Sb1 Cl1 92.06(14) . . ?
C13 Sb1 Cl2 88.21(13) . . ?
C7 Sb1 Cl2 88.84(13) . . ?
C1 Sb1 Cl2 92.17(14) . . ?
Cl1 Sb1 Cl2 175.25(5) . . ?
C19 Sb2 C25 122.16(19) . . ?
C19 Sb2 C31 121.0(2) . . ?
C25 Sb2 C31 116.8(2) . . ?
C19 Sb2 Cl4 90.30(14) . . ?
C25 Sb2 Cl4 88.17(14) . . ?
C31 Sb2 Cl4 92.33(16) . . ?
C19 Sb2 Cl3 88.12(14) . . ?
C25 Sb2 Cl3 89.22(14) . . ?
C31 Sb2 Cl3 91.97(16) . . ?
Cl4 Sb2 Cl3 175.64(5) . . ?
C2 C1 C6 118.7(5) . . ?
C2 C1 Sb1 120.7(4) . . ?
C6 C1 Sb1 120.6(4) . . ?
C1 C2 C3 120.8(5) . . ?
C4 C3 C2 118.5(6) . . ?
C3 C4 C5 122.8(6) . . ?
C3 C4 F1 118.8(7) . . ?
C5 C4 F1 118.4(6) . . ?
C4 C5 C6 118.4(6) . . ?
C1 C6 C5 120.7(6) . . ?
C8 C7 C12 119.6(5) . . ?
C8 C7 Sb1 120.2(4) . . ?
C12 C7 Sb1 120.1(4) . . ?
C9 C8 C7 120.2(5) . . ?
C10 C9 C8 118.4(5) . . ?
F2 C10 C11 118.6(6) . . ?
F2 C10 C9 118.2(6) . . ?
C11 C10 C9 123.2(6) . . ?
C10 C11 C12 118.1(5) . . ?
C11 C12 C7 120.5(5) . . ?
C14 C13 C18 119.1(5) . . ?
C14 C13 Sb1 122.4(4) . . ?
C18 C13 Sb1 118.5(4) . . ?
C13 C14 C15 121.1(5) . . ?
C16 C15 C14 118.5(6) . . ?
C17 C16 C15 122.1(6) . . ?
C17 C16 F3 119.0(6) . . ?
C15 C16 F3 118.9(6) . . ?
C16 C17 C18 119.7(6) . . ?
C13 C18 C17 119.5(5) . . ?
C20 C19 C24 117.6(5) . . ?
C20 C19 Sb2 120.9(4) . . ?
C24 C19 Sb2 121.5(4) . . ?
C19 C20 C21 121.2(5) . . ?
C22 C21 C20 118.3(5) . . ?
C23 C22 C21 123.1(6) . . ?
C23 C22 F4 118.4(6) . . ?
C21 C22 F4 118.5(6) . . ?
C22 C23 C24 117.9(5) . . ?
C23 C24 C19 122.0(5) . . ?
C26 C25 C30 119.8(5) . . ?
C26 C25 Sb2 121.2(4) . . ?
C30 C25 Sb2 118.9(4) . . ?
C25 C26 C27 119.7(6) . . ?
C28 C27 C26 118.7(6) . . ?
C27 C28 F5 119.0(6) . . ?
C27 C28 C29 123.2(6) . . ?
F5 C28 C29 117.8(6) . . ?
C28 C29 C30 117.7(6) . . ?
C29 C30 C25 120.8(5) . . ?
C36 C31 C32 118.6(5) . . ?
C36 C31 Sb2 121.3(4) . . ?
C32 C31 Sb2 120.1(5) . . ?
C31 C32 C33 120.9(7) . . ?
C34 C33 C32 118.0(7) . . ?
C35 C34 C33 123.3(7) . . ?
C35 C34 F6 117.9(9) . . ?
C33 C34 F6 118.8(8) . . ?
C34 C35 C36 118.4(7) . . ?
C31 C36 C35 120.8(6) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.468
_refine_diff_density_min         -0.415
_refine_diff_density_rms         0.086


