# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_v230921a_autored
_database_code_depnum_ccdc_archive 'CCDC 2296634'
loop_
_audit_author_name
_audit_author_address
'Tomohiro Agou'
;University of Hyogo
Japan
;
_audit_update_record             
;
2024-02-27 deposited with the CCDC.	2024-03-22 downloaded from the CCDC.
;
_audit_creation_date             2024-02-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C46 H55 Cl2 N2 O2 Sb'
_chemical_formula_sum            'C46 H55 Cl2 N2 O2 Sb'
_chemical_formula_weight         860.57
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C11 H10 N O'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_operation_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'

_cell_length_a                   20.0826(9)
_cell_length_b                   14.1346(5)
_cell_length_c                   15.2463(7)
_cell_angle_alpha                90
_cell_angle_beta                 100.815(5)
_cell_angle_gamma                90
_cell_volume                     4250.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15535
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      30.4200
_cell_measurement_theta_min      3.0840
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.813
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68062
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic dark green'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.218
_exptl_crystal_size_mid          0.093
_exptl_crystal_size_min          0.089
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1105
_diffrn_reflns_av_unetI/netI     0.0922
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30936
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.369
_diffrn_reflns_theta_min         2.720
_diffrn_ambient_temperature      173.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -105.00  75.00   0.50   20.00    --  -15.00  45.00   0.00  360
  2  ω   -105.00  69.00   0.50   20.00    --  -15.00  45.00 270.00  348
  3  ω   -105.00  60.00   0.50   20.00    --  -15.00  45.00  45.00  330
  4  ω   -105.00  51.00   0.50   20.00    --  -15.00  45.00 180.00  312
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0092870000
_diffrn_orient_matrix_UB_12      0.0465750000
_diffrn_orient_matrix_UB_13      -0.0102270000
_diffrn_orient_matrix_UB_21      -0.0343501000
_diffrn_orient_matrix_UB_22      0.0143118000
_diffrn_orient_matrix_UB_23      -0.0053010000
_diffrn_orient_matrix_UB_31      0.0050739000
_diffrn_orient_matrix_UB_32      0.0119810000
_diffrn_orient_matrix_UB_33      0.0459680000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.986
_reflns_Friedel_fraction_full    0.989
_reflns_Friedel_fraction_max     0.987
_reflns_number_gt                7311
_reflns_number_total             8642
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.972
_refine_diff_density_min         -0.778
_refine_diff_density_rms         0.101
_refine_ls_abs_structure_details 
;
 Flack x determined using 2834 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.012(14)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         8642
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0618
_refine_ls_R_factor_gt           0.0480
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0352P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0863
_refine_ls_wR_factor_ref         0.0934
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C17(H17), C39(H39), C37(H37), C18(H18), C23(H23), C25(H25), C33(H33),
 C1(H1), C32(H32)
2.b Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C27(H27A,H27B,H27C), C42(H42A,H42B,H42C), C29(H29A,H29B,
 H29C), C28(H28A,H28B,H28C), C12(H12A,H12B,H12C), C10(H10A,H10B,H10C), C44(H44A,
 H44B,H44C), C43(H43A,H43B,H43C), C14(H14A,H14B,H14C), C9(H9A,H9B,H9C), C8(H8A,
 H8B,H8C), C48(H48A,H48B,H48C), C47(H47A,H47B,H47C), C46(H46A,H46B,H46C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb49 Sb 0.51213(2) 0.28082(3) 0.50166(3) 0.02253(12) Uani 1 1 d . . . . .
Cl50 Cl 0.60577(11) 0.24274(15) 0.61532(13) 0.0407(5) Uani 1 1 d . . . . .
O53 O 0.5171(3) 0.4130(3) 0.5391(3) 0.0327(13) Uani 1 1 d . . . . .
N30 N 0.5793(3) 0.3052(4) 0.4170(5) 0.0241(14) Uani 1 1 d . . . . .
O52 O 0.4524(3) 0.2587(4) 0.5866(4) 0.0318(14) Uani 1 1 d . . . . .
C35 C 0.5523(3) 0.4863(4) 0.5122(4) 0.0207(15) Uani 1 1 d . . . . .
C3 C 0.4193(3) 0.1773(5) 0.6052(5) 0.0206(16) Uani 1 1 d . . . . .
C4 C 0.4194(4) 0.0944(5) 0.5537(5) 0.0236(15) Uani 1 1 d . . . . .
C36 C 0.5973(3) 0.4779(4) 0.4539(5) 0.0240(16) Uani 1 1 d . . . . .
C31 C 0.6098(3) 0.2354(5) 0.3714(5) 0.0223(15) Uani 1 1 d . . . . .
C34 C 0.6119(4) 0.3895(5) 0.4109(5) 0.0263(16) Uani 1 1 d . . . . .
C5 C 0.3781(4) 0.0175(5) 0.5716(5) 0.0292(17) Uani 1 1 d . . . . .
H5 H 0.375192 -0.037278 0.534989 0.035 Uiso 1 1 calc R U . . .
C40 C 0.5425(3) 0.5748(4) 0.5525(4) 0.0238(15) Uani 1 1 d . . . . .
C20 C 0.5937(4) 0.1393(5) 0.3679(5) 0.0247(16) Uani 1 1 d . . . . .
N15 N 0.5042(3) 0.1422(4) 0.4616(4) 0.0252(14) Uani 1 1 d . . . . .
C21 C 0.6391(4) 0.0759(5) 0.3252(5) 0.0258(16) Uani 1 1 d . . . . .
C17 C 0.4726(4) -0.0115(5) 0.4471(5) 0.0324(18) Uani 1 1 d . . . . .
H17 H 0.449511 -0.069122 0.452961 0.039 Uiso 1 1 calc R U . . .
C39 C 0.5825(4) 0.6510(5) 0.5328(5) 0.0271(16) Uani 1 1 d . . . . .
H39 H 0.577774 0.710198 0.560500 0.033 Uiso 1 1 calc R U . . .
C37 C 0.6345(4) 0.5582(5) 0.4357(5) 0.0276(18) Uani 1 1 d . . . . .
H37 H 0.664539 0.552496 0.394760 0.033 Uiso 1 1 calc R U . . .
C13 C 0.3605(5) 0.3569(6) 0.6859(6) 0.043(2) Uani 1 1 d . . . . .
H13A H 0.367471 0.412979 0.724366 0.065 Uiso 1 1 calc R U . . .
H13B H 0.311831 0.347677 0.664027 0.065 Uiso 1 1 calc R U . . .
H13C H 0.383379 0.365746 0.635150 0.065 Uiso 1 1 calc R U . . .
C16 C 0.4610(4) 0.0766(5) 0.4870(5) 0.0293(17) Uani 1 1 d . . . . .
C2 C 0.3856(4) 0.1810(5) 0.6775(5) 0.0274(17) Uani 1 1 d . . . . .
C22 C 0.6188(4) 0.0415(4) 0.2390(5) 0.0289(17) Uani 1 1 d . . . . .
C18 C 0.5224(4) 0.0011(5) 0.3993(5) 0.0319(17) Uani 1 1 d . . . . .
H18 H 0.540235 -0.046473 0.366228 0.038 Uiso 1 1 calc R U . . .
C41 C 0.4904(4) 0.5877(5) 0.6134(5) 0.0316(18) Uani 1 1 d . . . . .
C23 C 0.6626(4) -0.0164(5) 0.2026(5) 0.0282(16) Uani 1 1 d . . . . .
H23 H 0.648366 -0.040730 0.143956 0.034 Uiso 1 1 calc R U . . .
C26 C 0.7032(4) 0.0539(5) 0.3751(5) 0.0279(17) Uani 1 1 d . . . . .
C25 C 0.7454(4) -0.0047(5) 0.3361(5) 0.0297(16) Uani 1 1 d . . . . .
H25 H 0.788518 -0.021589 0.369700 0.036 Uiso 1 1 calc R U . . .
C6 C 0.3422(4) 0.0203(5) 0.6405(5) 0.0282(17) Uani 1 1 d . . . . .
C38 C 0.6284(4) 0.6449(4) 0.4755(5) 0.0274(16) Uani 1 1 d . . . . .
C33 C 0.6610(4) 0.3743(6) 0.3571(6) 0.037(2) Uani 1 1 d . . . . .
H33 H 0.690028 0.421435 0.340580 0.044 Uiso 1 1 calc R U . . .
C1 C 0.3489(4) 0.1006(5) 0.6937(5) 0.0301(17) Uani 1 1 d . . . . .
H1 H 0.327252 0.101206 0.744003 0.036 Uiso 1 1 calc R U . . .
C27 C 0.5489(4) 0.0611(5) 0.1840(5) 0.041(2) Uani 1 1 d . . . . .
H27A H 0.551187 0.059742 0.120355 0.061 Uiso 1 1 calc R U . . .
H27B H 0.533428 0.123586 0.199551 0.061 Uiso 1 1 calc R U . . .
H27C H 0.517078 0.012694 0.196587 0.061 Uiso 1 1 calc R U . . .
C42 C 0.5077(5) 0.5248(5) 0.6972(5) 0.043(2) Uani 1 1 d . . . . .
H42A H 0.472164 0.531025 0.732913 0.065 Uiso 1 1 calc R U . . .
H42B H 0.551267 0.544693 0.732899 0.065 Uiso 1 1 calc R U . . .
H42C H 0.510827 0.458651 0.679118 0.065 Uiso 1 1 calc R U . . .
C29 C 0.7267(4) 0.0881(6) 0.4690(5) 0.044(2) Uani 1 1 d . . . . .
H29A H 0.757520 0.041406 0.502420 0.066 Uiso 1 1 calc R U . . .
H29B H 0.687417 0.096688 0.497919 0.066 Uiso 1 1 calc R U . . .
H29C H 0.750408 0.148576 0.468083 0.066 Uiso 1 1 calc R U . . .
C11 C 0.3902(4) 0.2685(5) 0.7403(5) 0.0314(17) Uani 1 1 d . . . . .
C24 C 0.7262(4) -0.0393(4) 0.2496(5) 0.0289(17) Uani 1 1 d . . . . .
C19 C 0.5431(4) 0.0959(4) 0.4066(5) 0.0266(16) Uani 1 1 d . . . . .
C28 C 0.7722(5) -0.1062(6) 0.2110(6) 0.046(2) Uani 1 1 d . . . . .
H28A H 0.744774 -0.155755 0.176532 0.068 Uiso 1 1 calc R U . . .
H28B H 0.804551 -0.135244 0.259678 0.068 Uiso 1 1 calc R U . . .
H28C H 0.796852 -0.071016 0.171909 0.068 Uiso 1 1 calc R U . . .
C12 C 0.4635(4) 0.2847(6) 0.7844(5) 0.041(2) Uani 1 1 d . . . . .
H12A H 0.467350 0.344753 0.817113 0.062 Uiso 1 1 calc R U . . .
H12B H 0.491796 0.287077 0.738549 0.062 Uiso 1 1 calc R U . . .
H12C H 0.478830 0.232858 0.825952 0.062 Uiso 1 1 calc R U . . .
C10 C 0.2289(4) -0.0291(6) 0.6691(6) 0.052(2) Uani 1 1 d . . . . .
H10A H 0.207512 -0.001339 0.611809 0.078 Uiso 1 1 calc R U . . .
H10B H 0.232089 0.018745 0.716168 0.078 Uiso 1 1 calc R U . . .
H10C H 0.201489 -0.082450 0.683137 0.078 Uiso 1 1 calc R U . . .
C44 C 0.4193(4) 0.5669(6) 0.5597(6) 0.042(2) Uani 1 1 d . . . . .
H44A H 0.417162 0.501174 0.538887 0.063 Uiso 1 1 calc R U . . .
H44B H 0.409623 0.609532 0.508199 0.063 Uiso 1 1 calc R U . . .
H44C H 0.385579 0.576685 0.597769 0.063 Uiso 1 1 calc R U . . .
C43 C 0.4887(5) 0.6902(5) 0.6480(6) 0.050(2) Uani 1 1 d . . . . .
H43A H 0.457235 0.694145 0.689809 0.075 Uiso 1 1 calc R U . . .
H43B H 0.473537 0.732892 0.597493 0.075 Uiso 1 1 calc R U . . .
H43C H 0.534195 0.708710 0.678486 0.075 Uiso 1 1 calc R U . . .
C45 C 0.6719(4) 0.7301(5) 0.4558(5) 0.0331(18) Uani 1 1 d . . . . .
C14 C 0.3490(5) 0.2547(6) 0.8148(7) 0.054(3) Uani 1 1 d . . . . .
H14A H 0.368435 0.202619 0.853696 0.080 Uiso 1 1 calc R U . . .
H14B H 0.301879 0.239841 0.788137 0.080 Uiso 1 1 calc R U . . .
H14C H 0.350392 0.313002 0.849903 0.080 Uiso 1 1 calc R U . . .
C7 C 0.2995(4) -0.0638(5) 0.6631(5) 0.0383(19) Uani 1 1 d . . . . .
C9 C 0.2926(5) -0.1408(6) 0.5918(7) 0.060(3) Uani 1 1 d . . . . .
H9A H 0.263974 -0.191951 0.607328 0.090 Uiso 1 1 calc R U . . .
H9B H 0.337579 -0.165870 0.588587 0.090 Uiso 1 1 calc R U . . .
H9C H 0.271890 -0.114004 0.533848 0.090 Uiso 1 1 calc R U . . .
Cl51 Cl 0.41898(11) 0.31869(16) 0.38850(14) 0.0433(5) Uani 1 1 d . . . . .
C8 C 0.3339(5) -0.1061(7) 0.7526(7) 0.075(3) Uani 1 1 d . . . . .
H8A H 0.339357 -0.056825 0.798659 0.113 Uiso 1 1 calc R U . . .
H8B H 0.378511 -0.130957 0.747278 0.113 Uiso 1 1 calc R U . . .
H8C H 0.305886 -0.157392 0.769177 0.113 Uiso 1 1 calc R U . . .
C48 C 0.6518(7) 0.7566(8) 0.3580(8) 0.088(4) Uani 1 1 d . . . . .
H48A H 0.605754 0.782615 0.346766 0.131 Uiso 1 1 calc R U . . .
H48B H 0.653193 0.700117 0.321063 0.131 Uiso 1 1 calc R U . . .
H48C H 0.683422 0.804017 0.343022 0.131 Uiso 1 1 calc R U . . .
C47 C 0.6629(7) 0.8155(7) 0.5127(9) 0.097(5) Uani 1 1 d . . . . .
H47A H 0.694607 0.865390 0.502752 0.145 Uiso 1 1 calc R U . . .
H47B H 0.672095 0.797410 0.575912 0.145 Uiso 1 1 calc R U . . .
H47C H 0.616349 0.838988 0.496331 0.145 Uiso 1 1 calc R U . . .
C32 C 0.6601(4) 0.2816(5) 0.3326(6) 0.0311(18) Uani 1 1 d . . . . .
H32 H 0.688107 0.253012 0.296294 0.037 Uiso 1 1 calc R U . . .
C46 C 0.7447(5) 0.7052(6) 0.4727(10) 0.084(4) Uani 1 1 d . . . . .
H46A H 0.752277 0.653280 0.432999 0.125 Uiso 1 1 calc R U . . .
H46B H 0.758868 0.685269 0.534955 0.125 Uiso 1 1 calc R U . . .
H46C H 0.771330 0.760385 0.461171 0.125 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sb49 Cl50 2.368(2) . ?
Sb49 O53 1.951(4) . ?
Sb49 N30 2.063(6) . ?
Sb49 O52 1.948(5) . ?
Sb49 N15 2.050(5) . ?
Sb49 Cl51 2.356(2) . ?
O53 C35 1.359(7) . ?
N30 C31 1.411(9) . ?
N30 C34 1.371(9) . ?
O52 C3 1.384(9) . ?
C35 C36 1.388(9) . ?
C35 C40 1.423(9) . ?
C3 C4 1.410(9) . ?
C3 C2 1.399(10) . ?
C4 C5 1.423(9) . ?
C4 C16 1.453(10) . ?
C36 C34 1.466(9) . ?
C36 C37 1.415(9) . ?
C31 C20 1.395(9) . ?
C31 C32 1.423(10) . ?
C34 C33 1.411(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.382(10) . ?
C40 C39 1.410(9) . ?
C40 C41 1.535(10) . ?
C20 C21 1.510(10) . ?
C20 C19 1.409(10) . ?
N15 C16 1.375(8) . ?
N15 C19 1.409(8) . ?
C21 C22 1.389(10) . ?
C21 C26 1.401(11) . ?
C17 H17 0.9500 . ?
C17 C16 1.425(10) . ?
C17 C18 1.354(10) . ?
C39 H39 0.9500 . ?
C39 C38 1.386(9) . ?
C37 H37 0.9500 . ?
C37 C38 1.382(9) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C13 C11 1.556(11) . ?
C2 C1 1.402(9) . ?
C2 C11 1.556(10) . ?
C22 C23 1.391(9) . ?
C22 C27 1.519(11) . ?
C18 H18 0.9500 . ?
C18 C19 1.401(9) . ?
C41 C42 1.542(10) . ?
C41 C44 1.537(11) . ?
C41 C43 1.544(10) . ?
C23 H23 0.9500 . ?
C23 C24 1.382(10) . ?
C26 C25 1.396(10) . ?
C26 C29 1.501(10) . ?
C25 H25 0.9500 . ?
C25 C24 1.391(9) . ?
C6 C1 1.388(10) . ?
C6 C7 1.542(10) . ?
C38 C45 1.550(9) . ?
C33 H33 0.9500 . ?
C33 C32 1.362(10) . ?
C1 H1 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C11 C12 1.517(12) . ?
C11 C14 1.537(11) . ?
C24 C28 1.515(10) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10 C7 1.519(11) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C45 C48 1.517(13) . ?
C45 C47 1.518(12) . ?
C45 C46 1.479(13) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C7 C9 1.525(11) . ?
C7 C8 1.531(12) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C32 H32 0.9500 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O53 Sb49 Cl50 90.76(17) . . ?
O53 Sb49 N30 91.1(2) . . ?
O53 Sb49 N15 178.5(2) . . ?
O53 Sb49 Cl51 89.26(17) . . ?
N30 Sb49 Cl50 88.4(2) . . ?
N30 Sb49 Cl51 91.5(2) . . ?
O52 Sb49 Cl50 88.88(19) . . ?
O52 Sb49 O53 87.9(2) . . ?
O52 Sb49 N30 177.1(3) . . ?
O52 Sb49 N15 91.3(2) . . ?
O52 Sb49 Cl51 91.15(19) . . ?
N15 Sb49 Cl50 90.41(17) . . ?
N15 Sb49 N30 89.8(2) . . ?
N15 Sb49 Cl51 89.57(18) . . ?
Cl51 Sb49 Cl50 179.97(10) . . ?
C35 O53 Sb49 130.0(4) . . ?
C31 N30 Sb49 125.9(5) . . ?
C34 N30 Sb49 124.4(5) . . ?
C34 N30 C31 108.5(6) . . ?
C3 O52 Sb49 130.4(5) . . ?
O53 C35 C36 124.5(6) . . ?
O53 C35 C40 114.7(5) . . ?
C36 C35 C40 120.7(6) . . ?
O52 C3 C4 121.8(6) . . ?
O52 C3 C2 116.8(6) . . ?
C2 C3 C4 121.4(6) . . ?
C3 C4 C5 117.8(6) . . ?
C3 C4 C16 126.4(6) . . ?
C5 C4 C16 115.7(6) . . ?
C35 C36 C34 124.6(6) . . ?
C35 C36 C37 119.2(6) . . ?
C37 C36 C34 116.1(6) . . ?
N30 C31 C32 106.9(6) . . ?
C20 C31 N30 125.6(6) . . ?
C20 C31 C32 127.5(6) . . ?
N30 C34 C36 124.9(6) . . ?
N30 C34 C33 107.6(6) . . ?
C33 C34 C36 127.5(6) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 C4 122.0(7) . . ?
C6 C5 H5 119.0 . . ?
C35 C40 C41 122.0(6) . . ?
C39 C40 C35 116.7(6) . . ?
C39 C40 C41 121.2(6) . . ?
C31 C20 C21 116.1(6) . . ?
C31 C20 C19 126.0(6) . . ?
C19 C20 C21 117.7(6) . . ?
C16 N15 Sb49 125.3(5) . . ?
C16 N15 C19 107.7(5) . . ?
C19 N15 Sb49 126.9(4) . . ?
C22 C21 C20 121.4(7) . . ?
C22 C21 C26 120.9(6) . . ?
C26 C21 C20 117.7(6) . . ?
C16 C17 H17 125.9 . . ?
C18 C17 H17 125.9 . . ?
C18 C17 C16 108.2(6) . . ?
C40 C39 H39 118.0 . . ?
C38 C39 C40 124.0(6) . . ?
C38 C39 H39 118.0 . . ?
C36 C37 H37 118.9 . . ?
C38 C37 C36 122.2(7) . . ?
C38 C37 H37 118.9 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
N15 C16 C4 123.8(6) . . ?
N15 C16 C17 107.8(6) . . ?
C17 C16 C4 127.7(6) . . ?
C3 C2 C1 117.2(7) . . ?
C3 C2 C11 122.3(6) . . ?
C1 C2 C11 120.5(6) . . ?
C21 C22 C23 119.2(7) . . ?
C21 C22 C27 122.4(6) . . ?
C23 C22 C27 118.3(6) . . ?
C17 C18 H18 125.6 . . ?
C17 C18 C19 108.7(6) . . ?
C19 C18 H18 125.6 . . ?
C40 C41 C42 111.1(6) . . ?
C40 C41 C44 109.0(6) . . ?
C40 C41 C43 112.3(6) . . ?
C42 C41 C43 106.0(6) . . ?
C44 C41 C42 112.0(6) . . ?
C44 C41 C43 106.5(7) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 C22 121.6(6) . . ?
C24 C23 H23 119.2 . . ?
C21 C26 C29 122.6(6) . . ?
C25 C26 C21 118.0(7) . . ?
C25 C26 C29 119.4(7) . . ?
C26 C25 H25 119.0 . . ?
C24 C25 C26 122.0(7) . . ?
C24 C25 H25 119.0 . . ?
C5 C6 C1 117.4(6) . . ?
C5 C6 C7 122.7(7) . . ?
C1 C6 C7 119.8(6) . . ?
C39 C38 C45 122.6(6) . . ?
C37 C38 C39 117.1(6) . . ?
C37 C38 C45 120.3(6) . . ?
C34 C33 H33 125.3 . . ?
C32 C33 C34 109.3(7) . . ?
C32 C33 H33 125.3 . . ?
C2 C1 H1 118.1 . . ?
C6 C1 C2 123.8(7) . . ?
C6 C1 H1 118.1 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C2 C11 C13 109.7(7) . . ?
C12 C11 C13 111.0(6) . . ?
C12 C11 C2 109.5(6) . . ?
C12 C11 C14 107.8(7) . . ?
C14 C11 C13 106.8(7) . . ?
C14 C11 C2 112.1(6) . . ?
C23 C24 C25 118.3(6) . . ?
C23 C24 C28 121.1(7) . . ?
C25 C24 C28 120.5(7) . . ?
C20 C19 N15 124.8(6) . . ?
C18 C19 C20 127.6(6) . . ?
C18 C19 N15 107.6(6) . . ?
C24 C28 H28A 109.5 . . ?
C24 C28 H28B 109.5 . . ?
C24 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C48 C45 C38 109.0(7) . . ?
C48 C45 C47 109.1(9) . . ?
C47 C45 C38 112.1(7) . . ?
C46 C45 C38 110.9(6) . . ?
C46 C45 C48 107.6(9) . . ?
C46 C45 C47 108.1(9) . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C7 C6 109.2(6) . . ?
C10 C7 C9 108.2(7) . . ?
C10 C7 C8 110.0(7) . . ?
C9 C7 C6 111.7(6) . . ?
C9 C7 C8 108.8(8) . . ?
C8 C7 C6 108.8(6) . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C31 C32 H32 126.2 . . ?
C33 C32 C31 107.5(6) . . ?
C33 C32 H32 126.2 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sb49 O53 C35 C36 -4.9(10) . . . . ?
Sb49 O53 C35 C40 178.3(5) . . . . ?
Sb49 N30 C31 C20 7.8(11) . . . . ?
Sb49 N30 C31 C32 -170.8(5) . . . . ?
Sb49 N30 C34 C36 -8.7(11) . . . . ?
Sb49 N30 C34 C33 170.9(6) . . . . ?
Sb49 O52 C3 C4 -7.0(11) . . . . ?
Sb49 O52 C3 C2 173.0(5) . . . . ?
Sb49 N15 C16 C4 -6.7(10) . . . . ?
Sb49 N15 C16 C17 -178.2(5) . . . . ?
Sb49 N15 C19 C20 -1.6(10) . . . . ?
Sb49 N15 C19 C18 177.9(5) . . . . ?
O53 C35 C36 C34 1.9(11) . . . . ?
O53 C35 C36 C37 -175.6(7) . . . . ?
O53 C35 C40 C39 174.4(6) . . . . ?
O53 C35 C40 C41 -6.3(9) . . . . ?
N30 C31 C20 C21 -172.3(7) . . . . ?
N30 C31 C20 C19 2.2(12) . . . . ?
N30 C31 C32 C33 2.0(10) . . . . ?
N30 C34 C33 C32 -1.8(10) . . . . ?
O52 C3 C4 C5 -173.4(6) . . . . ?
O52 C3 C4 C16 10.7(12) . . . . ?
O52 C3 C2 C1 176.5(6) . . . . ?
O52 C3 C2 C11 -5.7(11) . . . . ?
C35 C36 C34 N30 5.4(11) . . . . ?
C35 C36 C34 C33 -174.3(8) . . . . ?
C35 C36 C37 C38 1.3(11) . . . . ?
C35 C40 C39 C38 2.0(10) . . . . ?
C35 C40 C41 C42 62.2(9) . . . . ?
C35 C40 C41 C44 -61.6(9) . . . . ?
C35 C40 C41 C43 -179.3(7) . . . . ?
C3 C4 C5 C6 -4.2(11) . . . . ?
C3 C4 C16 N15 -3.5(12) . . . . ?
C3 C4 C16 C17 166.2(7) . . . . ?
C3 C2 C1 C6 -2.5(11) . . . . ?
C3 C2 C11 C13 61.8(9) . . . . ?
C3 C2 C11 C12 -60.2(9) . . . . ?
C3 C2 C11 C14 -179.7(8) . . . . ?
C4 C3 C2 C1 -3.4(11) . . . . ?
C4 C3 C2 C11 174.3(7) . . . . ?
C4 C5 C6 C1 -1.4(11) . . . . ?
C4 C5 C6 C7 -177.5(7) . . . . ?
C36 C35 C40 C39 -2.5(10) . . . . ?
C36 C35 C40 C41 176.8(6) . . . . ?
C36 C34 C33 C32 177.9(8) . . . . ?
C36 C37 C38 C39 -1.8(11) . . . . ?
C36 C37 C38 C45 178.0(7) . . . . ?
C31 N30 C34 C36 -176.6(7) . . . . ?
C31 N30 C34 C33 3.1(9) . . . . ?
C31 C20 C21 C22 -103.1(8) . . . . ?
C31 C20 C21 C26 76.1(9) . . . . ?
C31 C20 C19 N15 -5.5(12) . . . . ?
C31 C20 C19 C18 175.1(8) . . . . ?
C34 N30 C31 C20 175.4(7) . . . . ?
C34 N30 C31 C32 -3.2(9) . . . . ?
C34 C36 C37 C38 -176.5(7) . . . . ?
C34 C33 C32 C31 -0.2(10) . . . . ?
C5 C4 C16 N15 -179.6(7) . . . . ?
C5 C4 C16 C17 -9.8(11) . . . . ?
C5 C6 C1 C2 4.9(11) . . . . ?
C5 C6 C7 C10 -129.3(8) . . . . ?
C5 C6 C7 C9 -9.6(11) . . . . ?
C5 C6 C7 C8 110.5(9) . . . . ?
C40 C35 C36 C34 178.5(7) . . . . ?
C40 C35 C36 C37 1.0(10) . . . . ?
C40 C39 C38 C37 0.2(10) . . . . ?
C40 C39 C38 C45 -179.7(7) . . . . ?
C20 C31 C32 C33 -176.5(8) . . . . ?
C20 C21 C22 C23 179.8(6) . . . . ?
C20 C21 C22 C27 -3.0(10) . . . . ?
C20 C21 C26 C25 179.9(6) . . . . ?
C20 C21 C26 C29 2.0(11) . . . . ?
C21 C20 C19 N15 168.9(6) . . . . ?
C21 C20 C19 C18 -10.5(11) . . . . ?
C21 C22 C23 C24 -1.0(10) . . . . ?
C21 C26 C25 C24 1.6(11) . . . . ?
C17 C18 C19 C20 179.7(7) . . . . ?
C17 C18 C19 N15 0.2(9) . . . . ?
C39 C40 C41 C42 -118.6(7) . . . . ?
C39 C40 C41 C44 117.6(7) . . . . ?
C39 C40 C41 C43 -0.1(10) . . . . ?
C39 C38 C45 C48 -115.5(9) . . . . ?
C39 C38 C45 C47 5.5(11) . . . . ?
C39 C38 C45 C46 126.3(9) . . . . ?
C37 C36 C34 N30 -177.0(7) . . . . ?
C37 C36 C34 C33 3.4(11) . . . . ?
C37 C38 C45 C48 64.7(10) . . . . ?
C37 C38 C45 C47 -174.4(9) . . . . ?
C37 C38 C45 C46 -53.5(11) . . . . ?
C16 C4 C5 C6 172.3(7) . . . . ?
C16 N15 C19 C20 -179.4(7) . . . . ?
C16 N15 C19 C18 0.1(8) . . . . ?
C16 C17 C18 C19 -0.4(9) . . . . ?
C2 C3 C4 C5 6.6(11) . . . . ?
C2 C3 C4 C16 -169.4(7) . . . . ?
C22 C21 C26 C25 -1.0(10) . . . . ?
C22 C21 C26 C29 -178.8(7) . . . . ?
C22 C23 C24 C25 1.5(10) . . . . ?
C22 C23 C24 C28 177.0(7) . . . . ?
C18 C17 C16 C4 -170.6(7) . . . . ?
C18 C17 C16 N15 0.5(9) . . . . ?
C41 C40 C39 C38 -177.3(7) . . . . ?
C26 C21 C22 C23 0.7(10) . . . . ?
C26 C21 C22 C27 177.9(7) . . . . ?
C26 C25 C24 C23 -1.8(10) . . . . ?
C26 C25 C24 C28 -177.3(7) . . . . ?
C1 C2 C11 C13 -120.5(8) . . . . ?
C1 C2 C11 C12 117.5(8) . . . . ?
C1 C2 C11 C14 -2.0(11) . . . . ?
C1 C6 C7 C10 54.6(10) . . . . ?
C1 C6 C7 C9 174.3(8) . . . . ?
C1 C6 C7 C8 -65.5(10) . . . . ?
C27 C22 C23 C24 -178.3(6) . . . . ?
C29 C26 C25 C24 179.5(7) . . . . ?
C11 C2 C1 C6 179.7(7) . . . . ?
C19 C20 C21 C22 82.0(9) . . . . ?
C19 C20 C21 C26 -98.9(8) . . . . ?
C19 N15 C16 C4 171.2(6) . . . . ?
C19 N15 C16 C17 -0.4(8) . . . . ?
C7 C6 C1 C2 -178.9(7) . . . . ?
C32 C31 C20 C21 6.0(12) . . . . ?
C32 C31 C20 C19 -179.6(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.632
_oxdiff_exptl_absorpt_empirical_full_min 0.648
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_v231004a_autored
_database_code_depnum_ccdc_archive 'CCDC 2323628'
loop_
_audit_author_name
_audit_author_address
'Tomohiro Agou'
;University of Hyogo
Japan
;
_audit_update_record             
;
2024-02-27 deposited with the CCDC.	2024-03-22 downloaded from the CCDC.
;
_audit_creation_date             2024-02-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C46 H56 Cl N2 O3 Sb, C3 H6 O'
_chemical_formula_sum            'C49 H62 Cl N2 O4 Sb'
_chemical_formula_weight         900.20
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   24.3993(6)
_cell_length_b                   16.8320(4)
_cell_length_c                   11.6630(3)
_cell_angle_alpha                90
_cell_angle_beta                 100.297(3)
_cell_angle_gamma                90
_cell_volume                     4712.7(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    45334
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      30.3380
_cell_measurement_theta_min      2.0110
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.685
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79595
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic dark green'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1880
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: acetone'
_exptl_crystal_size_max          0.238
_exptl_crystal_size_mid          0.158
_exptl_crystal_size_min          0.138
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0170
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            76821
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         1.697
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -105.00  75.00   0.50   10.00    --  -15.00  45.00   0.00  360
  2  ω   -105.00  75.00   0.50   10.00    --  -15.00  45.00 270.00  360
  3  ω   -105.00  75.00   0.50   10.00    --  -15.00  45.00  90.00  360
  4  ω   -105.00  75.00   0.50   10.00    --  -15.00  45.00 180.00  360
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8679
_reflns_number_total             9643
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.496
_refine_diff_density_min         -0.320
_refine_diff_density_rms         0.058
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     601
_refine_ls_number_reflns         9643
_refine_ls_number_restraints     131
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0273
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0377P)²+2.6904P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0724
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C42-C43 \\sim C42-C46
 with sigma of 0.02
 C42-C44 \\sim C42-C47
 with sigma of 0.02
 C42-C45 \\sim C42-C48
 with sigma of 0.02
 Sb1-Cl3 \\sim Sb1-Cl2
 with sigma of 0.001
 Sb1-O2 \\sim Sb1-O3
 with sigma of 0.001
 O57-C58 \\sim O57A-C58A
 with sigma of 0.02
 C58-C60 \\sim C58A-C60A
 with sigma of 0.02
 C58-C59 \\sim C58A-C59A
 with sigma of 0.02
 O57-C60 \\sim O57A-C60A
 with sigma of 0.04
 O57-C59 \\sim O57A-C59A
 with sigma of 0.04
 C60-C59 \\sim C60A-C59A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C46 \\sim C43 \\sim C48 \\sim C44 \\sim C47 \\sim C45: within 1.7A with sigma
of 0.01 and sigma for terminal atoms of 0.01 within 1.7A
O57A \\sim C58A \\sim C60A \\sim C59A: within 2A with sigma of 0.001 and sigma
for terminal atoms of 0.002 within 2A
Cl2 \\sim O2: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08 within 1.7A
Uanis(Cl2) = Uanis(Cl3)
Uanis(O2) = Uanis(O3)
4. Rigid body (RIGU) restrains
 C43, C44, C45
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C46, C47, C48
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C46, C43, C42, C44, C47, C45, C48
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.004
 O57, C58, C60, C59
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O57A, C58A, C60A, C59A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C47)=Sof(H47A)=Sof(H47B)=Sof(H47C)=Sof(C46)=Sof(H46A)=Sof(H46B)=Sof(H46C)=
 Sof(C48)=Sof(H48A)=Sof(H48B)=Sof(H48C)=1-FVAR(1)
 Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(H43C)=Sof(C44)=Sof(H44A)=Sof(H44B)=Sof(H44C)=
 Sof(C45)=Sof(H45A)=Sof(H45B)=Sof(H45C)=FVAR(1)
 Sof(O57A)=Sof(C58A)=Sof(C60A)=Sof(H60D)=Sof(H60E)=Sof(H60F)=Sof(C59A)=
 Sof(H59D)=Sof(H59E)=Sof(H59F)=1-FVAR(2)
 Sof(O57)=Sof(C58)=Sof(C60)=Sof(H60A)=Sof(H60B)=Sof(H60C)=Sof(C59)=Sof(H59A)=
 Sof(H59B)=Sof(H59C)=FVAR(2)
 Sof(O2)=Sof(H2)=Sof(Cl3)=1-FVAR(3)
 Sof(Cl2)=Sof(O3)=Sof(H3)=FVAR(3)
6.a Free rotating group:
 O3(H3)
6.b Me refined with riding coordinates:
 C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C60(H60A,H60B,H60C), C59(H59A,H59B,
 H59C), C45(H45A,H45B,H45C), C47(H47A,H47B,H47C), C46(H46A,H46B,H46C), C48(H48A,
 H48B,H48C), C60A(H60D,H60E,H60F), C59A(H59D,H59E,H59F)
6.c Aromatic/amide H refined with riding coordinates:
 C18(H18), C13(H13), C12(H12), C25(H25), C19(H19), C7(H7), C27(H27), C31(H31),
 C9(H9), C33(H33)
6.d Tetrahedral OH refined with riding coordinates:
 O2(H2)
6.e Idealised Me refined as rotating group:
 C39(H39A,H39B,H39C), C35(H35A,H35B,H35C), C40(H40A,H40B,H40C), C50(H50A,H50B,
 H50C), C52(H52A,H52B,H52C), C41(H41A,H41B,H41C), C54(H54A,H54B,H54C), C51(H51A,
 H51B,H51C), C37(H37A,H37B,H37C), C56(H56A,H56B,H56C), C55(H55A,H55B,H55C),
 C36(H36A,H36B,H36C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.75315(2) 0.55689(2) 0.34516(2) 0.02451(5) Uani 1 1 d D . . . .
Cl2 Cl 0.69568(3) 0.48352(4) 0.19665(5) 0.0440(2) Uani 0.950(2) 1 d D U P A 3
O3 O 0.80145(7) 0.61392(11) 0.46410(15) 0.0309(3) Uani 0.950(2) 1 d DG . P A 3
H3 H 0.809811 0.583346 0.524882 0.046 Uiso 0.950(2) 1 d G U P A 3
O4 O 0.81504(5) 0.52997(8) 0.26462(12) 0.0318(3) Uani 1 1 d . . . . .
O22 O 0.76491(5) 0.46203(8) 0.44566(12) 0.0317(3) Uani 1 1 d . . . . .
N21 N 0.68139(6) 0.58259(10) 0.41141(14) 0.0285(3) Uani 1 1 d . . . . .
N15 N 0.74177(6) 0.66256(9) 0.25311(13) 0.0280(3) Uani 1 1 d . . . . .
C17 C 0.64797(7) 0.65030(11) 0.39095(16) 0.0275(4) Uani 1 1 d . . . . .
C16 C 0.65584(7) 0.71259(11) 0.31614(16) 0.0276(4) Uani 1 1 d . . . . .
C14 C 0.69910(8) 0.71870(11) 0.25364(16) 0.0289(4) Uani 1 1 d . . . . .
C11 C 0.77763(8) 0.69173(12) 0.18625(16) 0.0301(4) Uani 1 1 d . . . . .
C5 C 0.84917(8) 0.58125(12) 0.21950(16) 0.0283(4) Uani 1 1 d . . . . .
C18 C 0.60392(8) 0.64107(12) 0.45318(17) 0.0314(4) Uani 1 1 d . . . . .
H18 H 0.575152 0.678543 0.456750 0.038 Uiso 1 1 calc R U . . .
C13 C 0.70953(8) 0.78239(12) 0.18134(18) 0.0350(4) Uani 1 1 d . . . . .
H13 H 0.687032 0.828425 0.164153 0.042 Uiso 1 1 calc R U . . .
C6 C 0.90415(8) 0.55615(11) 0.21591(17) 0.0296(4) Uani 1 1 d . . . . .
C10 C 0.82986(8) 0.65482(12) 0.17086(17) 0.0304(4) Uani 1 1 d . . . . .
C24 C 0.67558(8) 0.44929(11) 0.50661(17) 0.0290(4) Uani 1 1 d . . . . .
C29 C 0.61231(8) 0.77739(11) 0.29644(17) 0.0301(4) Uani 1 1 d . . . . .
C12 C 0.75722(8) 0.76651(13) 0.14065(18) 0.0367(5) Uani 1 1 d . . . . .
H12 H 0.773949 0.799555 0.090566 0.044 Uiso 1 1 calc R U . . .
C20 C 0.65733(8) 0.53090(12) 0.47896(17) 0.0290(4) Uani 1 1 d . . . . .
C30 C 0.56423(8) 0.76502(12) 0.21301(18) 0.0341(4) Uani 1 1 d . . . . .
C23 C 0.72603(8) 0.41665(12) 0.48576(16) 0.0278(4) Uani 1 1 d . . . . .
C25 C 0.63902(8) 0.40072(12) 0.55654(17) 0.0341(4) Uani 1 1 d . . . . .
H25 H 0.604792 0.422572 0.569777 0.041 Uiso 1 1 calc R U . . .
C19 C 0.60979(8) 0.56854(11) 0.50773(18) 0.0322(4) Uani 1 1 d . . . . .
H19 H 0.586041 0.547309 0.556351 0.039 Uiso 1 1 calc R U . . .
C28 C 0.73952(8) 0.33629(11) 0.51445(16) 0.0304(4) Uani 1 1 d . . . . .
C26 C 0.65111(8) 0.32292(12) 0.58674(17) 0.0343(4) Uani 1 1 d . . . . .
C38 C 0.92875(8) 0.47937(12) 0.27511(18) 0.0339(4) Uani 1 1 d . . . . .
C7 C 0.93523(8) 0.60312(12) 0.15302(18) 0.0346(4) Uani 1 1 d . . . . .
H7 H 0.971980 0.586264 0.148879 0.042 Uiso 1 1 calc R U . . .
C53 C 0.61159(9) 0.26941(14) 0.6419(2) 0.0441(5) Uani 1 1 d . . . . .
C27 C 0.70178(9) 0.29250(12) 0.56457(17) 0.0343(4) Uani 1 1 d . . . . .
H27 H 0.710738 0.238828 0.585078 0.041 Uiso 1 1 calc R U . . .
C31 C 0.52421(9) 0.82543(14) 0.1942(2) 0.0419(5) Uani 1 1 d . . . . .
H31 H 0.491408 0.817403 0.137854 0.050 Uiso 1 1 calc R U . . .
C49 C 0.79503(9) 0.29885(13) 0.49545(18) 0.0371(5) Uani 1 1 d . . . . .
C9 C 0.86396(9) 0.69903(13) 0.10777(19) 0.0377(5) Uani 1 1 d . . . . .
H9 H 0.850421 0.747861 0.072849 0.045 Uiso 1 1 calc R U . . .
C39 C 0.89999(10) 0.40815(13) 0.2072(2) 0.0430(5) Uani 1 1 d . . . . .
H39A H 0.913840 0.358750 0.246486 0.064 Uiso 1 1 calc R U . . .
H39B H 0.908111 0.408345 0.127872 0.064 Uiso 1 1 calc R U . . .
H39C H 0.859650 0.411905 0.203834 0.064 Uiso 1 1 calc R U . . .
C8 C 0.91615(9) 0.67328(13) 0.09562(19) 0.0382(5) Uani 1 1 d . . . . .
C35 C 0.55485(9) 0.68934(14) 0.1435(2) 0.0458(5) Uani 1 1 d . . . . .
H35A H 0.586835 0.679379 0.105220 0.069 Uiso 1 1 calc R U . . .
H35B H 0.521034 0.694396 0.084332 0.069 Uiso 1 1 calc R U . . .
H35C H 0.550593 0.644975 0.195580 0.069 Uiso 1 1 calc R U . . .
C34 C 0.62061(9) 0.84922(12) 0.35797(18) 0.0380(5) Uani 1 1 d . . . . .
C40 C 0.92146(10) 0.47622(15) 0.40350(19) 0.0442(5) Uani 1 1 d . . . . .
H40A H 0.881674 0.475037 0.407393 0.066 Uiso 1 1 calc R U . . .
H40B H 0.938584 0.523319 0.444508 0.066 Uiso 1 1 calc R U . . .
H40C H 0.939468 0.428303 0.440297 0.066 Uiso 1 1 calc R U . . .
C33 C 0.57887(10) 0.90746(13) 0.3354(2) 0.0468(6) Uani 1 1 d . . . . .
H33 H 0.583860 0.956178 0.377135 0.056 Uiso 1 1 calc R U . . .
C50 C 0.80258(10) 0.30724(14) 0.36756(19) 0.0448(5) Uani 1 1 d . . . . .
H50A H 0.772004 0.280030 0.316665 0.067 Uiso 1 1 calc R U . . .
H50B H 0.838133 0.283369 0.358042 0.067 Uiso 1 1 calc R U . . .
H50C H 0.802422 0.363641 0.346668 0.067 Uiso 1 1 calc R U . . .
C42 C 0.95249(11) 0.71950(15) 0.0237(2) 0.0528(6) Uani 1 1 d D . . . .
C32 C 0.53077(10) 0.89611(14) 0.2546(2) 0.0470(6) Uani 1 1 d . . . . .
C52 C 0.79683(12) 0.20929(14) 0.5219(2) 0.0566(7) Uani 1 1 d . . . . .
H52A H 0.794981 0.200911 0.604311 0.085 Uiso 1 1 calc R U . . .
H52B H 0.831584 0.186790 0.505144 0.085 Uiso 1 1 calc R U . . .
H52C H 0.765059 0.183096 0.473232 0.085 Uiso 1 1 calc R U . . .
C41 C 0.99177(9) 0.47361(16) 0.2748(2) 0.0511(6) Uani 1 1 d . . . . .
H41A H 1.006858 0.426213 0.318120 0.077 Uiso 1 1 calc R U . . .
H41B H 1.010440 0.521008 0.311897 0.077 Uiso 1 1 calc R U . . .
H41C H 0.998071 0.469954 0.194353 0.077 Uiso 1 1 calc R U . . .
C54 C 0.55815(11) 0.31333(17) 0.6548(3) 0.0657(8) Uani 1 1 d . . . . .
H54A H 0.567354 0.358352 0.708065 0.099 Uiso 1 1 calc R U . . .
H54B H 0.533160 0.276976 0.686233 0.099 Uiso 1 1 calc R U . . .
H54C H 0.539710 0.332805 0.578435 0.099 Uiso 1 1 calc R U . . .
O57 O 0.8517(2) 0.5450(2) 0.6840(3) 0.0831(14) Uani 0.737(10) 1 d D . P B 1
C51 C 0.84334(9) 0.33825(16) 0.5777(2) 0.0502(6) Uani 1 1 d . . . . .
H51A H 0.843407 0.395404 0.561690 0.075 Uiso 1 1 calc R U . . .
H51B H 0.878639 0.314960 0.565359 0.075 Uiso 1 1 calc R U . . .
H51C H 0.838886 0.329597 0.658596 0.075 Uiso 1 1 calc R U . . .
C37 C 0.67229(11) 0.86464(15) 0.4463(2) 0.0528(6) Uani 1 1 d . . . . .
H37A H 0.672736 0.829640 0.513626 0.079 Uiso 1 1 calc R U . . .
H37B H 0.672662 0.920174 0.471690 0.079 Uiso 1 1 calc R U . . .
H37C H 0.705217 0.854177 0.411298 0.079 Uiso 1 1 calc R U . . .
C56 C 0.59561(11) 0.19623(16) 0.5637(3) 0.0610(7) Uani 1 1 d . . . . .
H56A H 0.578412 0.213685 0.485331 0.092 Uiso 1 1 calc R U . . .
H56B H 0.569141 0.163353 0.596699 0.092 Uiso 1 1 calc R U . . .
H56C H 0.629112 0.165105 0.559260 0.092 Uiso 1 1 calc R U . . .
C55 C 0.64147(12) 0.24096(18) 0.7617(2) 0.0624(7) Uani 1 1 d . . . . .
H55A H 0.673990 0.209065 0.752427 0.094 Uiso 1 1 calc R U . . .
H55B H 0.615930 0.208584 0.798134 0.094 Uiso 1 1 calc R U . . .
H55C H 0.653585 0.287037 0.811135 0.094 Uiso 1 1 calc R U . . .
C36 C 0.48616(13) 0.96076(18) 0.2318(3) 0.0733(9) Uani 1 1 d . . . . .
H36A H 0.496777 1.000340 0.178186 0.110 Uiso 1 1 calc R U . . .
H36B H 0.482705 0.986536 0.305558 0.110 Uiso 1 1 calc R U . . .
H36C H 0.450396 0.936868 0.197209 0.110 Uiso 1 1 calc R U . . .
C43 C 0.9309(2) 0.8000(3) -0.0143(5) 0.0626(14) Uani 0.642(4) 1 d D U P C 1
H43A H 0.922319 0.829274 0.053001 0.094 Uiso 0.642(4) 1 calc R U P C 1
H43B H 0.959210 0.829015 -0.047491 0.094 Uiso 0.642(4) 1 calc R U P C 1
H43C H 0.897052 0.794699 -0.073209 0.094 Uiso 0.642(4) 1 calc R U P C 1
C58 C 0.8344(2) 0.5166(3) 0.7649(4) 0.0696(13) Uani 0.737(10) 1 d D . P B 1
C44 C 1.01183(17) 0.7363(3) 0.1111(5) 0.0711(13) Uani 0.642(4) 1 d D U P C 1
H44A H 1.005356 0.769864 0.175981 0.107 Uiso 0.642(4) 1 calc R U P C 1
H44B H 1.028219 0.685681 0.141488 0.107 Uiso 0.642(4) 1 calc R U P C 1
H44C H 1.037377 0.763316 0.067978 0.107 Uiso 0.642(4) 1 calc R U P C 1
C60 C 0.8732(2) 0.4761(4) 0.8603(5) 0.089(2) Uani 0.737(10) 1 d D . P B 1
H60A H 0.852222 0.456590 0.918831 0.133 Uiso 0.737(10) 1 calc R U P B 1
H60B H 0.891116 0.431358 0.828054 0.133 Uiso 0.737(10) 1 calc R U P B 1
H60C H 0.901634 0.513860 0.896659 0.133 Uiso 0.737(10) 1 calc R U P B 1
C59 C 0.7741(3) 0.5112(6) 0.7661(7) 0.110(3) Uani 0.737(10) 1 d D . P B 1
H59A H 0.768292 0.486425 0.839037 0.165 Uiso 0.737(10) 1 calc R U P B 1
H59B H 0.757840 0.564611 0.760078 0.165 Uiso 0.737(10) 1 calc R U P B 1
H59C H 0.756115 0.478948 0.700009 0.165 Uiso 0.737(10) 1 calc R U P B 1
C45 C 0.9671(3) 0.6690(3) -0.0696(5) 0.0814(16) Uani 0.642(4) 1 d D U P C 1
H45A H 0.980823 0.617581 -0.036933 0.122 Uiso 0.642(4) 1 calc R U P C 1
H45B H 0.934062 0.660772 -0.129773 0.122 Uiso 0.642(4) 1 calc R U P C 1
H45C H 0.996219 0.695088 -0.104056 0.122 Uiso 0.642(4) 1 calc R U P C 1
C47 C 1.0064(4) 0.6812(6) 0.0146(10) 0.075(2) Uani 0.358(4) 1 d D U P C 2
H47A H 1.000013 0.625371 -0.007528 0.112 Uiso 0.358(4) 1 calc R U P C 2
H47B H 1.023204 0.708658 -0.044691 0.112 Uiso 0.358(4) 1 calc R U P C 2
H47C H 1.031592 0.684397 0.089989 0.112 Uiso 0.358(4) 1 calc R U P C 2
C46 C 0.9548(5) 0.8014(5) 0.0554(11) 0.075(3) Uani 0.358(4) 1 d D U P C 2
H46A H 0.917204 0.820529 0.058847 0.113 Uiso 0.358(4) 1 calc R U P C 2
H46B H 0.978627 0.807917 0.131942 0.113 Uiso 0.358(4) 1 calc R U P C 2
H46C H 0.970239 0.832178 -0.002739 0.113 Uiso 0.358(4) 1 calc R U P C 2
C48 C 0.9168(4) 0.7152(7) -0.1120(7) 0.089(3) Uani 0.358(4) 1 d D U P C 2
H48A H 0.914005 0.659741 -0.138211 0.133 Uiso 0.358(4) 1 calc R U P C 2
H48B H 0.879389 0.736836 -0.114124 0.133 Uiso 0.358(4) 1 calc R U P C 2
H48C H 0.936123 0.746339 -0.163639 0.133 Uiso 0.358(4) 1 calc R U P C 2
O57A O 0.8076(11) 0.5442(7) 0.6899(10) 0.127(5) Uani 0.263(10) 1 d D U P B 2
C58A C 0.8057(13) 0.5142(19) 0.7832(18) 0.128(5) Uani 0.263(10) 1 d D U P B 2
C60A C 0.7534(9) 0.4690(12) 0.8006(15) 0.129(5) Uani 0.263(10) 1 d D U P B 2
H60D H 0.758504 0.448353 0.880348 0.193 Uiso 0.263(10) 1 calc R U P B 2
H60E H 0.721301 0.504972 0.787144 0.193 Uiso 0.263(10) 1 calc R U P B 2
H60F H 0.746805 0.424671 0.745283 0.193 Uiso 0.263(10) 1 calc R U P B 2
C59A C 0.8500(11) 0.5141(13) 0.8887(15) 0.129(5) Uani 0.263(10) 1 d D U P B 2
H59D H 0.836904 0.485152 0.951516 0.194 Uiso 0.263(10) 1 calc R U P B 2
H59E H 0.883437 0.488150 0.870760 0.194 Uiso 0.263(10) 1 calc R U P B 2
H59F H 0.858925 0.568949 0.913406 0.194 Uiso 0.263(10) 1 calc R U P B 2
O2 O 0.7010(9) 0.523(2) 0.2120(15) 0.0309(3) Uani 0.050(2) 1 d D U P A 4
H2 H 0.697955 0.473478 0.212832 0.046 Uiso 0.050(2) 1 calc R U P A 4
Cl3 Cl 0.8164(6) 0.6243(10) 0.4910(11) 0.0440(2) Uani 0.050(2) 1 d D . P A 4


_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 Cl2 2.3714(7) . ?
Sb1 O3 1.9104(18) . ?
Sb1 O4 1.9684(12) . ?
Sb1 O22 1.9712(13) . ?
Sb1 N21 2.0817(15) . ?
Sb1 N15 2.0704(15) . ?
Sb1 O2 1.910(2) . ?
Sb1 Cl3 2.3708(12) . ?
O3 H3 0.8703 . ?
O4 C5 1.368(2) . ?
O22 C23 1.364(2) . ?
N21 C17 1.397(2) . ?
N21 C20 1.374(2) . ?
N15 C14 1.407(2) . ?
N15 C11 1.363(2) . ?
C17 C16 1.399(3) . ?
C17 C18 1.409(2) . ?
C16 C14 1.390(3) . ?
C16 C29 1.511(2) . ?
C14 C13 1.415(3) . ?
C11 C10 1.457(3) . ?
C11 C12 1.421(3) . ?
C5 C6 1.414(3) . ?
C5 C10 1.408(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.372(3) . ?
C13 H13 0.9500 . ?
C13 C12 1.359(3) . ?
C6 C38 1.536(3) . ?
C6 C7 1.392(3) . ?
C10 C9 1.417(3) . ?
C24 C20 1.462(3) . ?
C24 C23 1.408(3) . ?
C24 C25 1.410(3) . ?
C29 C30 1.399(3) . ?
C29 C34 1.402(3) . ?
C12 H12 0.9500 . ?
C20 C19 1.414(3) . ?
C30 C31 1.400(3) . ?
C30 C35 1.506(3) . ?
C23 C28 1.418(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.374(3) . ?
C19 H19 0.9500 . ?
C28 C27 1.388(3) . ?
C28 C49 1.545(3) . ?
C26 C53 1.542(3) . ?
C26 C27 1.404(3) . ?
C38 C39 1.536(3) . ?
C38 C40 1.540(3) . ?
C38 C41 1.541(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.396(3) . ?
C53 C54 1.529(3) . ?
C53 C56 1.541(4) . ?
C53 C55 1.532(3) . ?
C27 H27 0.9500 . ?
C31 H31 0.9500 . ?
C31 C32 1.377(3) . ?
C49 C50 1.542(3) . ?
C49 C52 1.538(3) . ?
C49 C51 1.531(3) . ?
C9 H9 0.9500 . ?
C9 C8 1.376(3) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C8 C42 1.537(3) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C34 C33 1.404(3) . ?
C34 C37 1.502(3) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C33 H33 0.9500 . ?
C33 C32 1.381(4) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C42 C43 1.492(5) . ?
C42 C44 1.639(5) . ?
C42 C45 1.474(5) . ?
C42 C47 1.486(7) . ?
C42 C46 1.427(9) . ?
C42 C48 1.666(9) . ?
C32 C36 1.528(3) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
O57 C58 1.199(6) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C58 C60 1.490(7) . ?
C58 C59 1.476(8) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
O57A C58A 1.208(16) . ?
C58A C60A 1.531(18) . ?
C58A C59A 1.485(18) . ?
C60A H60D 0.9800 . ?
C60A H60E 0.9800 . ?
C60A H60F 0.9800 . ?
C59A H59D 0.9800 . ?
C59A H59E 0.9800 . ?
C59A H59F 0.9800 . ?
O2 H2 0.8400 . ?

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 Cl2 178.15(5) . . ?
O3 Sb1 O4 92.06(7) . . ?
O3 Sb1 O22 88.28(7) . . ?
O3 Sb1 N21 94.40(7) . . ?
O3 Sb1 N15 87.31(7) . . ?
O4 Sb1 Cl2 86.30(4) . . ?
O4 Sb1 O22 93.14(5) . . ?
O4 Sb1 N21 173.12(6) . . ?
O4 Sb1 N15 89.63(6) . . ?
O4 Sb1 Cl3 89.8(4) . . ?
O22 Sb1 Cl2 90.96(4) . . ?
O22 Sb1 N21 89.44(6) . . ?
O22 Sb1 N15 174.87(6) . . ?
O22 Sb1 Cl3 87.4(4) . . ?
N21 Sb1 Cl2 87.27(5) . . ?
N21 Sb1 Cl3 96.7(4) . . ?
N15 Sb1 Cl2 93.53(5) . . ?
N15 Sb1 N21 88.30(6) . . ?
N15 Sb1 Cl3 88.3(4) . . ?
O2 Sb1 O4 90.0(8) . . ?
O2 Sb1 O22 104.3(10) . . ?
O2 Sb1 N21 83.1(8) . . ?
O2 Sb1 N15 79.9(10) . . ?
O2 Sb1 Cl3 168.3(11) . . ?
Sb1 O3 H3 108.6 . . ?
C5 O4 Sb1 127.58(12) . . ?
C23 O22 Sb1 128.40(11) . . ?
C17 N21 Sb1 127.60(12) . . ?
C20 N21 Sb1 123.73(12) . . ?
C20 N21 C17 108.56(15) . . ?
C14 N15 Sb1 127.26(12) . . ?
C11 N15 Sb1 124.45(12) . . ?
C11 N15 C14 108.17(15) . . ?
N21 C17 C16 125.23(16) . . ?
N21 C17 C18 107.33(16) . . ?
C16 C17 C18 127.32(17) . . ?
C17 C16 C29 117.69(16) . . ?
C14 C16 C17 125.76(17) . . ?
C14 C16 C29 116.48(16) . . ?
N15 C14 C13 107.11(16) . . ?
C16 C14 N15 125.78(17) . . ?
C16 C14 C13 127.10(17) . . ?
N15 C11 C10 125.57(17) . . ?
N15 C11 C12 108.37(16) . . ?
C12 C11 C10 125.94(17) . . ?
O4 C5 C6 117.95(17) . . ?
O4 C5 C10 121.79(16) . . ?
C10 C5 C6 120.13(17) . . ?
C17 C18 H18 125.9 . . ?
C19 C18 C17 108.11(17) . . ?
C19 C18 H18 125.9 . . ?
C14 C13 H13 125.8 . . ?
C12 C13 C14 108.39(17) . . ?
C12 C13 H13 125.8 . . ?
C5 C6 C38 122.32(17) . . ?
C7 C6 C5 117.06(18) . . ?
C7 C6 C38 120.59(17) . . ?
C5 C10 C11 124.23(17) . . ?
C5 C10 C9 119.08(17) . . ?
C9 C10 C11 116.60(17) . . ?
C23 C24 C20 124.72(17) . . ?
C23 C24 C25 118.82(17) . . ?
C25 C24 C20 116.45(17) . . ?
C30 C29 C16 118.52(18) . . ?
C30 C29 C34 120.70(18) . . ?
C34 C29 C16 120.75(18) . . ?
C11 C12 H12 126.0 . . ?
C13 C12 C11 107.94(17) . . ?
C13 C12 H12 126.0 . . ?
N21 C20 C24 125.23(17) . . ?
N21 C20 C19 107.77(16) . . ?
C19 C20 C24 126.80(17) . . ?
C29 C30 C31 118.4(2) . . ?
C29 C30 C35 121.88(18) . . ?
C31 C30 C35 119.7(2) . . ?
O22 C23 C24 121.58(17) . . ?
O22 C23 C28 117.95(16) . . ?
C24 C23 C28 120.31(17) . . ?
C24 C25 H25 118.8 . . ?
C26 C25 C24 122.37(18) . . ?
C26 C25 H25 118.8 . . ?
C18 C19 C20 108.11(17) . . ?
C18 C19 H19 125.9 . . ?
C20 C19 H19 125.9 . . ?
C23 C28 C49 121.85(17) . . ?
C27 C28 C23 117.55(17) . . ?
C27 C28 C49 120.56(17) . . ?
C25 C26 C53 122.81(18) . . ?
C25 C26 C27 117.13(18) . . ?
C27 C26 C53 120.06(18) . . ?
C6 C38 C40 111.23(17) . . ?
C6 C38 C41 111.22(17) . . ?
C39 C38 C6 108.60(17) . . ?
C39 C38 C40 110.68(18) . . ?
C39 C38 C41 108.30(18) . . ?
C40 C38 C41 106.77(18) . . ?
C6 C7 H7 117.7 . . ?
C6 C7 C8 124.54(18) . . ?
C8 C7 H7 117.7 . . ?
C54 C53 C26 111.50(18) . . ?
C54 C53 C56 108.3(2) . . ?
C54 C53 C55 109.7(2) . . ?
C56 C53 C26 109.30(19) . . ?
C55 C53 C26 109.39(19) . . ?
C55 C53 C56 108.6(2) . . ?
C28 C27 C26 123.81(18) . . ?
C28 C27 H27 118.1 . . ?
C26 C27 H27 118.1 . . ?
C30 C31 H31 118.9 . . ?
C32 C31 C30 122.2(2) . . ?
C32 C31 H31 118.9 . . ?
C50 C49 C28 111.15(16) . . ?
C52 C49 C28 111.42(18) . . ?
C52 C49 C50 106.26(18) . . ?
C51 C49 C28 109.26(17) . . ?
C51 C49 C50 110.76(19) . . ?
C51 C49 C52 107.9(2) . . ?
C10 C9 H9 119.1 . . ?
C8 C9 C10 121.89(19) . . ?
C8 C9 H9 119.1 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C7 C8 C42 120.97(19) . . ?
C9 C8 C7 116.91(18) . . ?
C9 C8 C42 122.1(2) . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C29 C34 C33 118.2(2) . . ?
C29 C34 C37 121.81(19) . . ?
C33 C34 C37 120.0(2) . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C34 C33 H33 119.0 . . ?
C32 C33 C34 122.0(2) . . ?
C32 C33 H33 119.0 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C8 C42 C44 106.2(2) . . ?
C8 C42 C48 104.0(3) . . ?
C43 C42 C8 114.5(2) . . ?
C43 C42 C44 104.7(3) . . ?
C45 C42 C8 110.5(3) . . ?
C45 C42 C43 115.1(4) . . ?
C45 C42 C44 104.8(4) . . ?
C47 C42 C8 115.1(4) . . ?
C47 C42 C48 103.4(6) . . ?
C46 C42 C8 110.4(4) . . ?
C46 C42 C47 116.3(7) . . ?
C46 C42 C48 106.2(7) . . ?
C31 C32 C33 118.4(2) . . ?
C31 C32 C36 120.8(2) . . ?
C33 C32 C36 120.8(2) . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C32 C36 H36A 109.5 . . ?
C32 C36 H36B 109.5 . . ?
C32 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O57 C58 C60 120.2(5) . . ?
O57 C58 C59 121.6(5) . . ?
C59 C58 C60 117.7(5) . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C42 C45 H45A 109.5 . . ?
C42 C45 H45B 109.5 . . ?
C42 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C42 C47 H47A 109.5 . . ?
C42 C47 H47B 109.5 . . ?
C42 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C42 C46 H46A 109.5 . . ?
C42 C46 H46B 109.5 . . ?
C42 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C42 C48 H48A 109.5 . . ?
C42 C48 H48B 109.5 . . ?
C42 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
O57A C58A C60A 119.6(18) . . ?
O57A C58A C59A 127(2) . . ?
C59A C58A C60A 113.0(14) . . ?
C58A C60A H60D 109.5 . . ?
C58A C60A H60E 109.5 . . ?
C58A C60A H60F 109.5 . . ?
H60D C60A H60E 109.5 . . ?
H60D C60A H60F 109.5 . . ?
H60E C60A H60F 109.5 . . ?
C58A C59A H59D 109.5 . . ?
C58A C59A H59E 109.5 . . ?
C58A C59A H59F 109.5 . . ?
H59D C59A H59E 109.5 . . ?
H59D C59A H59F 109.5 . . ?
H59E C59A H59F 109.5 . . ?
Sb1 O2 H2 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sb1 O4 C5 C6 150.57(14) . . . . ?
Sb1 O4 C5 C10 -33.5(2) . . . . ?
Sb1 O22 C23 C24 -30.1(3) . . . . ?
Sb1 O22 C23 C28 154.51(14) . . . . ?
Sb1 N21 C17 C16 3.1(3) . . . . ?
Sb1 N21 C17 C18 179.49(13) . . . . ?
Sb1 N21 C20 C24 -4.9(3) . . . . ?
Sb1 N21 C20 C19 179.86(13) . . . . ?
Sb1 N15 C14 C16 -0.8(3) . . . . ?
Sb1 N15 C14 C13 177.82(13) . . . . ?
Sb1 N15 C11 C10 -1.5(3) . . . . ?
Sb1 N15 C11 C12 -177.73(13) . . . . ?
O4 C5 C6 C38 -8.4(3) . . . . ?
O4 C5 C6 C7 169.82(17) . . . . ?
O4 C5 C10 C11 14.4(3) . . . . ?
O4 C5 C10 C9 -169.17(18) . . . . ?
O22 C23 C28 C27 174.56(17) . . . . ?
O22 C23 C28 C49 -3.2(3) . . . . ?
N21 C17 C16 C14 -2.5(3) . . . . ?
N21 C17 C16 C29 174.42(18) . . . . ?
N21 C17 C18 C19 -1.4(2) . . . . ?
N21 C20 C19 C18 2.7(2) . . . . ?
N15 C14 C13 C12 -1.3(2) . . . . ?
N15 C11 C10 C5 3.1(3) . . . . ?
N15 C11 C10 C9 -173.41(19) . . . . ?
N15 C11 C12 C13 0.7(2) . . . . ?
C17 N21 C20 C24 171.59(18) . . . . ?
C17 N21 C20 C19 -3.6(2) . . . . ?
C17 C16 C14 N15 1.3(3) . . . . ?
C17 C16 C14 C13 -177.1(2) . . . . ?
C17 C16 C29 C30 -83.3(2) . . . . ?
C17 C16 C29 C34 98.5(2) . . . . ?
C17 C18 C19 C20 -0.8(2) . . . . ?
C16 C17 C18 C19 174.8(2) . . . . ?
C16 C14 C13 C12 177.3(2) . . . . ?
C16 C29 C30 C31 -179.43(17) . . . . ?
C16 C29 C30 C35 0.2(3) . . . . ?
C16 C29 C34 C33 179.58(18) . . . . ?
C16 C29 C34 C37 -0.7(3) . . . . ?
C14 N15 C11 C10 174.73(18) . . . . ?
C14 N15 C11 C12 -1.5(2) . . . . ?
C14 C16 C29 C30 94.0(2) . . . . ?
C14 C16 C29 C34 -84.2(2) . . . . ?
C14 C13 C12 C11 0.4(2) . . . . ?
C11 N15 C14 C16 -176.95(18) . . . . ?
C11 N15 C14 C13 1.7(2) . . . . ?
C11 C10 C9 C8 174.7(2) . . . . ?
C5 C6 C38 C39 70.3(2) . . . . ?
C5 C6 C38 C40 -51.8(3) . . . . ?
C5 C6 C38 C41 -170.65(19) . . . . ?
C5 C6 C7 C8 1.1(3) . . . . ?
C5 C10 C9 C8 -2.0(3) . . . . ?
C18 C17 C16 C14 -178.17(19) . . . . ?
C18 C17 C16 C29 -1.2(3) . . . . ?
C6 C5 C10 C11 -169.73(18) . . . . ?
C6 C5 C10 C9 6.7(3) . . . . ?
C6 C7 C8 C9 3.4(3) . . . . ?
C6 C7 C8 C42 -177.3(2) . . . . ?
C10 C11 C12 C13 -175.5(2) . . . . ?
C10 C5 C6 C38 175.57(18) . . . . ?
C10 C5 C6 C7 -6.2(3) . . . . ?
C10 C9 C8 C7 -2.9(3) . . . . ?
C10 C9 C8 C42 177.8(2) . . . . ?
C24 C20 C19 C18 -172.39(19) . . . . ?
C24 C23 C28 C27 -0.9(3) . . . . ?
C24 C23 C28 C49 -178.61(18) . . . . ?
C24 C25 C26 C53 179.7(2) . . . . ?
C24 C25 C26 C27 -0.7(3) . . . . ?
C29 C16 C14 N15 -175.65(18) . . . . ?
C29 C16 C14 C13 5.9(3) . . . . ?
C29 C30 C31 C32 0.2(3) . . . . ?
C29 C34 C33 C32 -0.6(3) . . . . ?
C12 C11 C10 C5 178.6(2) . . . . ?
C12 C11 C10 C9 2.2(3) . . . . ?
C20 N21 C17 C16 -173.21(18) . . . . ?
C20 N21 C17 C18 3.2(2) . . . . ?
C20 C24 C23 O22 5.6(3) . . . . ?
C20 C24 C23 C28 -179.15(18) . . . . ?
C20 C24 C25 C26 -179.96(19) . . . . ?
C30 C29 C34 C33 1.4(3) . . . . ?
C30 C29 C34 C37 -178.8(2) . . . . ?
C30 C31 C32 C33 0.6(3) . . . . ?
C30 C31 C32 C36 -179.9(2) . . . . ?
C23 C24 C20 N21 11.9(3) . . . . ?
C23 C24 C20 C19 -173.7(2) . . . . ?
C23 C24 C25 C26 0.7(3) . . . . ?
C23 C28 C27 C26 0.9(3) . . . . ?
C23 C28 C49 C50 -56.0(3) . . . . ?
C23 C28 C49 C52 -174.3(2) . . . . ?
C23 C28 C49 C51 66.5(2) . . . . ?
C25 C24 C20 N21 -167.34(19) . . . . ?
C25 C24 C20 C19 7.0(3) . . . . ?
C25 C24 C23 O22 -175.14(17) . . . . ?
C25 C24 C23 C28 0.1(3) . . . . ?
C25 C26 C53 C54 1.4(3) . . . . ?
C25 C26 C53 C56 121.2(2) . . . . ?
C25 C26 C53 C55 -120.0(2) . . . . ?
C25 C26 C27 C28 -0.1(3) . . . . ?
C38 C6 C7 C8 179.39(19) . . . . ?
C7 C6 C38 C39 -107.9(2) . . . . ?
C7 C6 C38 C40 130.0(2) . . . . ?
C7 C6 C38 C41 11.2(3) . . . . ?
C7 C8 C42 C43 -169.5(3) . . . . ?
C7 C8 C42 C44 -54.5(3) . . . . ?
C7 C8 C42 C45 58.6(4) . . . . ?
C7 C8 C42 C47 3.8(6) . . . . ?
C7 C8 C42 C46 -130.3(6) . . . . ?
C7 C8 C42 C48 116.2(5) . . . . ?
C53 C26 C27 C28 179.5(2) . . . . ?
C27 C28 C49 C50 126.3(2) . . . . ?
C27 C28 C49 C52 8.0(3) . . . . ?
C27 C28 C49 C51 -111.1(2) . . . . ?
C27 C26 C53 C54 -178.1(2) . . . . ?
C27 C26 C53 C56 -58.4(3) . . . . ?
C27 C26 C53 C55 60.4(3) . . . . ?
C49 C28 C27 C26 178.65(19) . . . . ?
C9 C8 C42 C43 9.8(4) . . . . ?
C9 C8 C42 C44 124.8(3) . . . . ?
C9 C8 C42 C45 -122.1(4) . . . . ?
C9 C8 C42 C47 -177.0(6) . . . . ?
C9 C8 C42 C46 48.9(7) . . . . ?
C9 C8 C42 C48 -64.6(5) . . . . ?
C35 C30 C31 C32 -179.5(2) . . . . ?
C34 C29 C30 C31 -1.2(3) . . . . ?
C34 C29 C30 C35 178.44(19) . . . . ?
C34 C33 C32 C31 -0.4(3) . . . . ?
C34 C33 C32 C36 -179.9(2) . . . . ?
C37 C34 C33 C32 179.7(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_v231215a_autored
_database_code_depnum_ccdc_archive 'CCDC 2323629'
loop_
_audit_author_name
_audit_author_address
'Tomohiro Agou'
;University of Hyogo
Japan
;
_audit_update_record             
;
2024-01-05 deposited with the CCDC.	2024-03-22 downloaded from the CCDC.
;
_audit_creation_date             2024-01-05
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C46 H57 N2 O4 Sb'
_chemical_formula_sum            'C46 H57 N2 O4 Sb'
_chemical_formula_weight         823.68
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C11 H10 N O'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   28.4574(5)
_cell_length_b                   27.9101(4)
_cell_length_c                   32.3437(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     25688.9(8)
_cell_formula_units_Z            24
_cell_measurement_reflns_used    64851
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      30.4320
_cell_measurement_theta_min      1.6230
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.687
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70396
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic dark green'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             10320
_exptl_crystal_size_max          0.131
_exptl_crystal_size_mid          0.127
_exptl_crystal_size_min          0.113
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1196
_diffrn_reflns_av_unetI/netI     0.0532
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            281142
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         1.589
_diffrn_ambient_temperature      173.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -120.00  60.00   0.50   30.00    --  -30.00  45.00 270.00  360
  2  ω   -120.00  60.00   0.50   30.00    --  -30.00  45.00  90.00  360
  3  ω   -120.00  60.00   0.50   30.00    --  -30.00  45.00   0.00  360
  4  ω   -120.00  60.00   0.50   30.00    --  -30.00  45.00 180.00  360
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0019049000
_diffrn_orient_matrix_UB_12      0.0059292000
_diffrn_orient_matrix_UB_13      -0.0212583000
_diffrn_orient_matrix_UB_21      -0.0125673000
_diffrn_orient_matrix_UB_22      0.0215497000
_diffrn_orient_matrix_UB_23      0.0035996000
_diffrn_orient_matrix_UB_31      0.0214345000
_diffrn_orient_matrix_UB_32      0.0121080000
_diffrn_orient_matrix_UB_33      0.0039991000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                18165
_reflns_number_total             26265
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.575
_refine_diff_density_min         -0.423
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1493
_refine_ls_number_reflns         26265
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0427
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0294P)²+14.6108P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0771
_refine_ls_wR_factor_ref         0.0875
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Free rotating group:
 O55(H55), O107(H107), O3(H3), O2(H2), O108(H108)
1.b Aromatic/amide H refined with riding coordinates:
 C59(H59), C142(H142), C88(H88), C143(H143), C160(H160), C21(H21), C9(H9),
 C150(H150), C61(H61), C89(H89), C7(H7), C42(H42), C22(H22), C114(H114),
 C37(H37), C74(H74), C36(H36), C112(H112), C96(H96), C128(H128), C94(H94),
 C148(H148), C79(H79), C73(H73), C133(H133), C27(H27), C127(H127), C29(H29),
 C135(H135), C81(H81)
1.c Idealised Me refined as rotating group:
 C101(H10A,H10B,H10C), C105(H10D,H10E,H10F), C139(H13D,H13E,H13F), C64(H64A,
 H64B,H64C), C16(H16A,H16B,H16C), C14(H14A,H14B,H14C), C65(H65A,H65B,H65C),
 C119(H11A,H11B,H11C), C33(H33A,H33B,H33C), C31(H31A,H31B,H31C), C46(H46A,H46B,
 H46C), C66(H66A,H66B,H66C), C48(H48A,H48B,H48C), C47(H47A,H47B,H47C), C12(H12A,
 H12B,H12C), C50(H50A,H50B,H50C), C84(H84A,H84B,H84C), C120(H12D,H12E,H12F),
 C99(H99A,H99B,H99C), C13(H13A,H13B,H13C), C70(H70A,H70B,H70C), C52(H52A,H52B,
 H52C), C118(H11D,H11E,H11F), C100(H10G,H10H,H10I), C104(H10J,H10K,H10L),
 C137(H13G,H13H,H13I), C51(H51A,H51B,H51C), C18(H18A,H18B,H18C), C153(H15A,H15B,
 H15C), C83(H83A,H83B,H83C), C32(H32A,H32B,H32C), C124(H12G,H12H,H12I),
 C159(H15D,H15E,H15F), C138(H13J,H13K,H13L), C17(H17A,H17B,H17C), C68(H68A,H68B,
 H68C), C123(H12J,H12K,H12L), C157(H15G,H15H,H15I), C155(H15J,H15K,H15L),
 C103(H10M,H10N,H10O), C122(H12M,H12N,H12O), C69(H69A,H69B,H69C), C158(H15M,
 H15N,H15O), C154(H15P,H15Q,H15R), C85(H85A,H85B,H85C)
1.d Idealised tetrahedral OH refined as rotating group:
 O54(H54)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.27243(2) 0.72192(2) 0.87418(2) 0.02110(5) Uani 1 1 d . . . . .
Sb10 Sb 0.26934(2) 0.70727(2) 0.54071(2) 0.02268(5) Uani 1 1 d . . . . .
Sb53 Sb 0.23358(2) 0.67221(2) 0.71094(2) 0.02283(6) Uani 1 1 d . . . . .
O91 O 0.16580(7) 0.66306(7) 0.70012(7) 0.0307(5) Uani 1 1 d . . . . .
O56 O 0.24558(7) 0.60406(7) 0.72462(7) 0.0301(5) Uani 1 1 d . . . . .
O109 O 0.25789(7) 0.63901(7) 0.55404(7) 0.0302(5) Uani 1 1 d . . . . .
O39 O 0.26471(7) 0.65300(7) 0.86226(7) 0.0307(5) Uani 1 1 d . . . . .
O55 O 0.22330(8) 0.68077(7) 0.77023(7) 0.0320(5) Uani 1 1 d G . . . .
H55 H 0.221718 0.652740 0.781916 0.048 Uiso 1 1 d G U . . .
O4 O 0.33915(7) 0.71281(7) 0.88860(7) 0.0321(6) Uani 1 1 d . . . . .
O107 O 0.28542(8) 0.72078(8) 0.59743(7) 0.0353(6) Uani 1 1 d G . . . .
H107 H 0.273247 0.699084 0.613496 0.053 Uiso 1 1 d G U . . .
O145 O 0.33595(7) 0.69560(7) 0.52717(7) 0.0319(6) Uani 1 1 d . . . . .
O3 O 0.28821(8) 0.73234(8) 0.81714(7) 0.0356(6) Uani 1 1 d G . . . .
H3 H 0.268257 0.716955 0.801685 0.053 Uiso 1 1 d G U . . .
O2 O 0.25686(8) 0.71292(8) 0.93248(7) 0.0363(6) Uani 1 1 d G . . . .
H2 H 0.276262 0.692822 0.943951 0.054 Uiso 1 1 d G U . . .
O54 O 0.24258(8) 0.65987(8) 0.65198(6) 0.0356(6) Uani 1 1 d . . . . .
H54 H 0.216428 0.654510 0.640852 0.053 Uiso 1 1 calc R U . . .
O108 O 0.25358(8) 0.69541(8) 0.48315(7) 0.0351(6) Uani 1 1 d G . . . .
H108 H 0.259400 0.722054 0.470137 0.053 Uiso 1 1 d G U . . .
N19 N 0.27977(8) 0.79537(8) 0.88378(8) 0.0234(6) Uani 1 1 d . . . . .
N86 N 0.22391(9) 0.74551(8) 0.70602(8) 0.0256(6) Uani 1 1 d . . . . .
N140 N 0.27938(9) 0.78026(9) 0.52947(8) 0.0247(6) Uani 1 1 d . . . . .
N34 N 0.20052(9) 0.73122(8) 0.86498(8) 0.0249(6) Uani 1 1 d . . . . .
N125 N 0.19811(9) 0.72077(9) 0.55192(8) 0.0275(6) Uani 1 1 d . . . . .
N71 N 0.30529(9) 0.68568(9) 0.71330(8) 0.0273(6) Uani 1 1 d . . . . .
C57 C 0.28474(11) 0.57785(11) 0.71413(10) 0.0289(8) Uani 1 1 d . . . . .
C151 C 0.36730(11) 0.77632(11) 0.52644(10) 0.0259(7) Uani 1 1 d . . . . .
C23 C 0.24343(11) 0.82965(10) 0.88189(9) 0.0233(7) Uani 1 1 d . . . . .
C146 C 0.37249(11) 0.72673(11) 0.53375(10) 0.0285(8) Uani 1 1 d . . . . .
C90 C 0.18022(12) 0.76686(11) 0.70515(10) 0.0300(8) Uani 1 1 d . . . . .
C58 C 0.27979(11) 0.52793(11) 0.70758(10) 0.0297(8) Uani 1 1 d . . . . .
C76 C 0.30637(12) 0.77527(11) 0.70660(10) 0.0277(7) Uani 1 1 d . . . . .
C92 C 0.13002(11) 0.69244(11) 0.71370(10) 0.0280(8) Uani 1 1 d . . . . .
C10 C 0.36742(11) 0.79500(11) 0.89315(10) 0.0262(7) Uani 1 1 d . . . . .
C5 C 0.37528(11) 0.74515(11) 0.88901(10) 0.0257(7) Uani 1 1 d . . . . .
C20 C 0.32129(11) 0.81789(10) 0.89258(10) 0.0258(7) Uani 1 1 d . . . . .
C87 C 0.25805(11) 0.78165(10) 0.70160(10) 0.0257(7) Uani 1 1 d . . . . .
C59 C 0.32059(12) 0.50116(12) 0.70159(11) 0.0352(9) Uani 1 1 d . . . . .
H59 H 0.317446 0.467576 0.697693 0.042 Uiso 1 1 calc R U . . .
C142 C 0.31363(12) 0.84867(11) 0.50842(10) 0.0298(8) Uani 1 1 d . . . . .
H142 H 0.336733 0.871097 0.499754 0.036 Uiso 1 1 calc R U . . .
C24 C 0.19677(11) 0.82030(10) 0.87216(10) 0.0253(7) Uani 1 1 d . . . . .
C144 C 0.24448(11) 0.81500(10) 0.52579(9) 0.0247(7) Uani 1 1 d . . . . .
C40 C 0.22582(11) 0.62474(10) 0.86460(9) 0.0250(7) Uani 1 1 d . . . . .
C115 C 0.21981(12) 0.56364(11) 0.54456(10) 0.0315(8) Uani 1 1 d . . . . .
C88 C 0.23399(12) 0.82513(11) 0.69548(11) 0.0360(9) Uani 1 1 d . . . . .
H88 H 0.248146 0.855451 0.690706 0.043 Uiso 1 1 calc R U . . .
C77 C 0.33805(11) 0.81884(10) 0.70588(10) 0.0267(8) Uani 1 1 d . . . . .
C62 C 0.32989(11) 0.59943(11) 0.71278(10) 0.0292(8) Uani 1 1 d . . . . .
C143 C 0.26637(12) 0.85739(10) 0.51192(10) 0.0299(8) Uani 1 1 d . . . . .
H143 H 0.251049 0.886847 0.506015 0.036 Uiso 1 1 calc R U . . .
C130 C 0.19737(11) 0.80876(11) 0.53727(10) 0.0265(7) Uani 1 1 d . . . . .
C141 C 0.32215(11) 0.80011(11) 0.52006(9) 0.0246(7) Uani 1 1 d . . . . .
C25 C 0.16344(11) 0.86274(11) 0.87141(11) 0.0277(7) Uani 1 1 d . . . . .
C160 C 0.19305(12) 0.54565(11) 0.86887(11) 0.0343(8) Uani 1 1 d . . . . .
H160 H 0.197489 0.511980 0.870692 0.041 Uiso 1 1 calc R U . . .
C21 C 0.31140(12) 0.86728(11) 0.89753(11) 0.0333(8) Uani 1 1 d . . . . .
H21 H 0.333639 0.891425 0.904298 0.040 Uiso 1 1 calc R U . . .
C9 C 0.40694(11) 0.82539(11) 0.89716(11) 0.0333(8) Uani 1 1 d . . . . .
H9 H 0.401922 0.858888 0.899908 0.040 Uiso 1 1 calc R U . . .
C26 C 0.14260(11) 0.87813(12) 0.90810(11) 0.0336(8) Uani 1 1 d . . . . .
C150 C 0.40768(12) 0.80583(12) 0.52958(10) 0.0319(8) Uani 1 1 d . . . . .
H150 H 0.404532 0.839161 0.524313 0.038 Uiso 1 1 calc R U . . .
C110 C 0.21693(12) 0.61372(11) 0.55246(10) 0.0285(8) Uani 1 1 d . . . . .
C43 C 0.14711(12) 0.56281(11) 0.86780(11) 0.0322(8) Uani 1 1 d . . . . .
C75 C 0.32811(12) 0.73078(11) 0.71311(11) 0.0322(8) Uani 1 1 d . . . . .
C78 C 0.34616(12) 0.84471(11) 0.74221(10) 0.0323(8) Uani 1 1 d . . . . .
C61 C 0.36950(12) 0.56975(11) 0.70623(11) 0.0357(9) Uani 1 1 d . . . . .
H61 H 0.399760 0.584105 0.705415 0.043 Uiso 1 1 calc R U . . .
C93 C 0.13615(12) 0.74238(11) 0.71519(10) 0.0311(8) Uani 1 1 d . . . . .
C89 C 0.18639(12) 0.81625(11) 0.69759(11) 0.0362(9) Uani 1 1 d . . . . .
H89 H 0.162068 0.839292 0.694497 0.043 Uiso 1 1 calc R U . . .
C7 C 0.45828(12) 0.75893(12) 0.89172(11) 0.0347(8) Uani 1 1 d . . . . .
H7 H 0.489433 0.746719 0.891088 0.042 Uiso 1 1 calc R U . . .
C42 C 0.14130(12) 0.61194(11) 0.86402(11) 0.0328(8) Uani 1 1 d . . . . .
H42 H 0.110366 0.624676 0.862913 0.039 Uiso 1 1 calc R U . . .
C147 C 0.41624(12) 0.70744(12) 0.54595(11) 0.0369(9) Uani 1 1 d . . . . .
C41 C 0.18003(11) 0.64376(11) 0.86177(10) 0.0276(8) Uani 1 1 d . . . . .
C132 C 0.13575(12) 0.85400(12) 0.49767(11) 0.0325(8) Uani 1 1 d . . . . .
C60 C 0.36600(12) 0.52070(11) 0.70096(11) 0.0324(8) Uani 1 1 d . . . . .
C35 C 0.17666(11) 0.77540(11) 0.86336(10) 0.0279(8) Uani 1 1 d . . . . .
C44 C 0.23293(11) 0.57453(11) 0.86744(10) 0.0287(7) Uani 1 1 d . . . . .
C38 C 0.16907(11) 0.69523(11) 0.85815(10) 0.0276(8) Uani 1 1 d . . . . .
C131 C 0.16463(11) 0.85097(11) 0.53261(11) 0.0296(8) Uani 1 1 d . . . . .
C6 C 0.42145(11) 0.72662(11) 0.88711(10) 0.0282(8) Uani 1 1 d . . . . .
C63 C 0.23112(12) 0.50345(11) 0.70804(12) 0.0360(8) Uani 1 1 d . . . . .
C22 C 0.26433(12) 0.87440(11) 0.89092(10) 0.0325(8) Uani 1 1 d . . . . .
H22 H 0.248455 0.904312 0.892183 0.039 Uiso 1 1 calc R U . . .
C114 C 0.17814(13) 0.53755(12) 0.54585(11) 0.0395(9) Uani 1 1 d . . . . .
H114 H 0.179735 0.504072 0.540727 0.047 Uiso 1 1 calc R U . . .
C11 C 0.43095(11) 0.67281(11) 0.88097(11) 0.0334(8) Uani 1 1 d . . . . .
C111 C 0.17271(12) 0.63536(11) 0.56030(10) 0.0292(8) Uani 1 1 d . . . . .
C37 C 0.12477(12) 0.71626(12) 0.85046(11) 0.0367(9) Uani 1 1 d . . . . .
H37 H 0.096675 0.699497 0.843958 0.044 Uiso 1 1 calc R U . . .
C74 C 0.37635(12) 0.72177(12) 0.71745(12) 0.0431(10) Uani 1 1 d . . . . .
H74 H 0.400286 0.745456 0.718551 0.052 Uiso 1 1 calc R U . . .
C149 C 0.45124(12) 0.78817(12) 0.53995(11) 0.0338(8) Uani 1 1 d . . . . .
C129 C 0.17672(11) 0.76599(11) 0.55175(11) 0.0309(8) Uani 1 1 d . . . . .
C30 C 0.15264(12) 0.88490(12) 0.83396(11) 0.0361(9) Uani 1 1 d . . . . .
C36 C 0.12925(12) 0.76502(12) 0.85397(11) 0.0370(9) Uani 1 1 d . . . . .
H36 H 0.104760 0.787833 0.850662 0.044 Uiso 1 1 calc R U . . .
C112 C 0.13196(13) 0.60611(12) 0.56115(11) 0.0361(9) Uani 1 1 d . . . . .
H112 H 0.102380 0.620531 0.566668 0.043 Uiso 1 1 calc R U . . .
C8 C 0.45232(12) 0.80843(12) 0.89725(11) 0.0347(8) Uani 1 1 d . . . . .
C96 C 0.05083(12) 0.70235(12) 0.73724(11) 0.0373(9) Uani 1 1 d . . . . .
H96 H 0.021388 0.688607 0.744400 0.045 Uiso 1 1 calc R U . . .
C72 C 0.33866(11) 0.65111(11) 0.71648(11) 0.0325(8) Uani 1 1 d . . . . .
C126 C 0.16552(11) 0.68746(11) 0.56338(11) 0.0316(8) Uani 1 1 d . . . . .
C128 C 0.13034(12) 0.75956(12) 0.56591(12) 0.0432(10) Uani 1 1 d . . . . .
H128 H 0.107741 0.784227 0.569671 0.052 Uiso 1 1 calc R U . . .
C80 C 0.39892(12) 0.89798(11) 0.70509(12) 0.0350(9) Uani 1 1 d . . . . .
C45 C 0.28259(12) 0.55261(11) 0.87019(12) 0.0361(9) Uani 1 1 d . . . . .
C94 C 0.09844(12) 0.77121(12) 0.72894(11) 0.0387(9) Uani 1 1 d . . . . .
H94 H 0.102740 0.804930 0.730197 0.046 Uiso 1 1 calc R U . . .
C97 C 0.08646(11) 0.67168(11) 0.72406(10) 0.0307(8) Uani 1 1 d . . . . .
C148 C 0.45432(12) 0.73889(13) 0.54812(11) 0.0411(9) Uani 1 1 d . . . . .
H148 H 0.484099 0.726162 0.555580 0.049 Uiso 1 1 calc R U . . .
C79 C 0.37695(12) 0.88377(11) 0.74094(11) 0.0365(9) Uani 1 1 d . . . . .
H79 H 0.382888 0.901076 0.765684 0.044 Uiso 1 1 calc R U . . .
C95 C 0.05568(12) 0.75241(12) 0.74061(12) 0.0389(9) Uani 1 1 d . . . . .
C73 C 0.38334(12) 0.67339(12) 0.71982(13) 0.0451(10) Uani 1 1 d . . . . .
H73 H 0.412682 0.657597 0.723105 0.054 Uiso 1 1 calc R U . . .
C101 C 0.08613(13) 0.59931(12) 0.67704(12) 0.0447(10) Uani 1 1 d . . . . .
H10A H 0.064536 0.616022 0.658354 0.067 Uiso 1 1 calc R U . . .
H10B H 0.080197 0.564754 0.675707 0.067 Uiso 1 1 calc R U . . .
H10C H 0.118611 0.605839 0.668715 0.067 Uiso 1 1 calc R U . . .
C105 C -0.02726(13) 0.77895(14) 0.72730(13) 0.0522(11) Uani 1 1 d . . . . .
H10D H -0.037752 0.745542 0.725929 0.078 Uiso 1 1 calc R U . . .
H10E H -0.017504 0.789583 0.699728 0.078 Uiso 1 1 calc R U . . .
H10F H -0.053114 0.799154 0.737122 0.078 Uiso 1 1 calc R U . . .
C133 C 0.10508(12) 0.89312(13) 0.49467(12) 0.0422(10) Uani 1 1 d . . . . .
H133 H 0.085878 0.895938 0.470769 0.051 Uiso 1 1 calc R U . . .
C136 C 0.16229(12) 0.88577(12) 0.56366(11) 0.0372(9) Uani 1 1 d . . . . .
C27 C 0.11043(12) 0.91628(13) 0.90604(12) 0.0415(10) Uani 1 1 d . . . . .
H27 H 0.096524 0.927519 0.930917 0.050 Uiso 1 1 calc R U . . .
C113 C 0.13394(13) 0.55757(12) 0.55423(11) 0.0390(9) Uani 1 1 d . . . . .
C139 C 0.13684(14) 0.81596(14) 0.46415(12) 0.0509(11) Uani 1 1 d . . . . .
H13D H 0.169311 0.811060 0.454969 0.076 Uiso 1 1 calc R U . . .
H13E H 0.117622 0.826428 0.440682 0.076 Uiso 1 1 calc R U . . .
H13F H 0.124306 0.785844 0.475138 0.076 Uiso 1 1 calc R U . . .
C127 C 0.12329(12) 0.71177(12) 0.57335(12) 0.0440(10) Uani 1 1 d . . . . .
H127 H 0.095193 0.697516 0.583376 0.053 Uiso 1 1 calc R U . . .
C82 C 0.35927(14) 0.83303(13) 0.66878(12) 0.0473(10) Uani 1 1 d . . . . .
C64 C 0.19813(12) 0.52706(13) 0.67599(12) 0.0445(10) Uani 1 1 d . . . . .
H64A H 0.167384 0.511274 0.676767 0.067 Uiso 1 1 calc R U . . .
H64B H 0.211715 0.523769 0.648296 0.067 Uiso 1 1 calc R U . . .
H64C H 0.194381 0.561117 0.682602 0.067 Uiso 1 1 calc R U . . .
C15 C 0.49640(13) 0.83975(13) 0.90563(13) 0.0448(10) Uani 1 1 d . . . . .
C29 C 0.11990(13) 0.92227(13) 0.83376(13) 0.0480(10) Uani 1 1 d . . . . .
H29 H 0.112383 0.937241 0.808227 0.058 Uiso 1 1 calc R U . . .
C116 C 0.26734(13) 0.53978(12) 0.53440(12) 0.0412(9) Uani 1 1 d . . . . .
C28 C 0.09826(12) 0.93810(12) 0.86910(14) 0.0454(10) Uani 1 1 d . . . . .
C98 C 0.07832(12) 0.61708(12) 0.72161(12) 0.0377(9) Uani 1 1 d . . . . .
C16 C 0.51580(13) 0.82552(14) 0.94808(13) 0.0539(11) Uani 1 1 d . . . . .
H16A H 0.491867 0.831359 0.969279 0.081 Uiso 1 1 calc R U . . .
H16B H 0.543822 0.844659 0.954217 0.081 Uiso 1 1 calc R U . . .
H16C H 0.524125 0.791452 0.947907 0.081 Uiso 1 1 calc R U . . .
C49 C 0.10602(12) 0.52704(12) 0.87254(12) 0.0413(9) Uani 1 1 d . . . . .
C14 C 0.41334(13) 0.64511(13) 0.91910(12) 0.0466(10) Uani 1 1 d . . . . .
H14A H 0.430405 0.655968 0.943687 0.070 Uiso 1 1 calc R U . . .
H14B H 0.418735 0.610750 0.915048 0.070 Uiso 1 1 calc R U . . .
H14C H 0.379647 0.650976 0.922826 0.070 Uiso 1 1 calc R U . . .
C65 C 0.20974(12) 0.50625(12) 0.75183(12) 0.0448(10) Uani 1 1 d . . . . .
H65A H 0.207298 0.539861 0.760312 0.067 Uiso 1 1 calc R U . . .
H65B H 0.229943 0.488943 0.771296 0.067 Uiso 1 1 calc R U . . .
H65C H 0.178390 0.491708 0.751673 0.067 Uiso 1 1 calc R U . . .
C119 C 0.30109(14) 0.54408(13) 0.57143(13) 0.0527(11) Uani 1 1 d . . . . .
H11A H 0.305197 0.577945 0.578581 0.079 Uiso 1 1 calc R U . . .
H11B H 0.331590 0.530177 0.564095 0.079 Uiso 1 1 calc R U . . .
H11C H 0.287948 0.526868 0.595169 0.079 Uiso 1 1 calc R U . . .
C33 C 0.17628(16) 0.86987(16) 0.79393(12) 0.0647(13) Uani 1 1 d . . . . .
H33A H 0.168427 0.836413 0.787850 0.097 Uiso 1 1 calc R U . . .
H33B H 0.210413 0.873130 0.796777 0.097 Uiso 1 1 calc R U . . .
H33C H 0.165251 0.890359 0.771317 0.097 Uiso 1 1 calc R U . . .
C67 C 0.41049(13) 0.49090(12) 0.69315(13) 0.0425(10) Uani 1 1 d . . . . .
C31 C 0.15430(14) 0.85547(15) 0.94921(12) 0.0566(12) Uani 1 1 d . . . . .
H31A H 0.137126 0.872018 0.971252 0.085 Uiso 1 1 calc R U . . .
H31B H 0.188155 0.858079 0.954289 0.085 Uiso 1 1 calc R U . . .
H31C H 0.145218 0.821604 0.948781 0.085 Uiso 1 1 calc R U . . .
C46 C 0.30801(14) 0.57180(13) 0.90857(12) 0.0538(11) Uani 1 1 d . . . . .
H46A H 0.311205 0.606669 0.906427 0.081 Uiso 1 1 calc R U . . .
H46B H 0.339256 0.557194 0.910462 0.081 Uiso 1 1 calc R U . . .
H46C H 0.289820 0.563788 0.933352 0.081 Uiso 1 1 calc R U . . .
C135 C 0.13025(14) 0.92352(12) 0.55941(13) 0.0467(10) Uani 1 1 d . . . . .
H135 H 0.128142 0.946827 0.580736 0.056 Uiso 1 1 calc R U . . .
C134 C 0.10160(13) 0.92790(13) 0.52514(13) 0.0446(10) Uani 1 1 d . . . . .
C66 C 0.23453(13) 0.45034(12) 0.69699(14) 0.0544(12) Uani 1 1 d . . . . .
H66A H 0.203078 0.436050 0.697447 0.082 Uiso 1 1 calc R U . . .
H66B H 0.254622 0.433984 0.717153 0.082 Uiso 1 1 calc R U . . .
H66C H 0.248079 0.446917 0.669294 0.082 Uiso 1 1 calc R U . . .
C48 C 0.28051(13) 0.49752(12) 0.87477(14) 0.0532(11) Uani 1 1 d . . . . .
H48A H 0.262966 0.489249 0.899849 0.080 Uiso 1 1 calc R U . . .
H48B H 0.312500 0.484722 0.876752 0.080 Uiso 1 1 calc R U . . .
H48C H 0.264751 0.483674 0.850630 0.080 Uiso 1 1 calc R U . . .
C47 C 0.31004(13) 0.56337(13) 0.83027(12) 0.0508(11) Uani 1 1 d . . . . .
H47A H 0.293915 0.548652 0.806702 0.076 Uiso 1 1 calc R U . . .
H47B H 0.341856 0.550203 0.832530 0.076 Uiso 1 1 calc R U . . .
H47C H 0.311817 0.598110 0.826160 0.076 Uiso 1 1 calc R U . . .
C12 C 0.40764(13) 0.65492(13) 0.84097(12) 0.0505(11) Uani 1 1 d . . . . .
H12A H 0.373637 0.660138 0.842568 0.076 Uiso 1 1 calc R U . . .
H12B H 0.413998 0.620643 0.837512 0.076 Uiso 1 1 calc R U . . .
H12C H 0.420436 0.672576 0.817319 0.076 Uiso 1 1 calc R U . . .
C81 C 0.38961(14) 0.87269(13) 0.66960(12) 0.0496(11) Uani 1 1 d . . . . .
H81 H 0.404285 0.882429 0.644594 0.060 Uiso 1 1 calc R U . . .
C102 C 0.01463(12) 0.78298(13) 0.75741(13) 0.0447(10) Uani 1 1 d . . . . .
C50 C 0.10684(15) 0.49032(13) 0.83689(12) 0.0556(12) Uani 1 1 d . . . . .
H50A H 0.137070 0.473497 0.836813 0.083 Uiso 1 1 calc R U . . .
H50B H 0.102610 0.507007 0.810492 0.083 Uiso 1 1 calc R U . . .
H50C H 0.081359 0.467115 0.840718 0.083 Uiso 1 1 calc R U . . .
C84 C 0.43198(14) 0.94134(13) 0.70464(13) 0.0538(11) Uani 1 1 d . . . . .
H84A H 0.414892 0.969569 0.694715 0.081 Uiso 1 1 calc R U . . .
H84B H 0.458574 0.934824 0.686224 0.081 Uiso 1 1 calc R U . . .
H84C H 0.443612 0.947334 0.732682 0.081 Uiso 1 1 calc R U . . .
C120 C 0.26115(15) 0.48578(12) 0.52497(15) 0.0621(13) Uani 1 1 d . . . . .
H12D H 0.247924 0.469648 0.549239 0.093 Uiso 1 1 calc R U . . .
H12E H 0.291768 0.471676 0.518303 0.093 Uiso 1 1 calc R U . . .
H12F H 0.239855 0.481816 0.501411 0.093 Uiso 1 1 calc R U . . .
C99 C 0.11226(13) 0.59137(13) 0.75135(12) 0.0498(11) Uani 1 1 d . . . . .
H99A H 0.144754 0.598242 0.743250 0.075 Uiso 1 1 calc R U . . .
H99B H 0.106744 0.556737 0.750109 0.075 Uiso 1 1 calc R U . . .
H99C H 0.106882 0.602762 0.779618 0.075 Uiso 1 1 calc R U . . .
C13 C 0.48405(12) 0.66219(13) 0.87705(14) 0.0534(11) Uani 1 1 d . . . . .
H13A H 0.497175 0.680785 0.854087 0.080 Uiso 1 1 calc R U . . .
H13B H 0.488703 0.627941 0.871785 0.080 Uiso 1 1 calc R U . . .
H13C H 0.499965 0.671120 0.902797 0.080 Uiso 1 1 calc R U . . .
C70 C 0.40042(13) 0.43701(12) 0.69102(14) 0.0551(12) Uani 1 1 d . . . . .
H70A H 0.378610 0.430527 0.668250 0.083 Uiso 1 1 calc R U . . .
H70B H 0.386349 0.426437 0.717131 0.083 Uiso 1 1 calc R U . . .
H70C H 0.429850 0.419610 0.686332 0.083 Uiso 1 1 calc R U . . .
C121 C 0.09017(14) 0.52440(13) 0.55464(12) 0.0451(10) Uani 1 1 d . . . . .
C52 C 0.11190(14) 0.50060(13) 0.91395(12) 0.0520(11) Uani 1 1 d . . . . .
H52A H 0.085470 0.478579 0.917982 0.078 Uiso 1 1 calc R U . . .
H52B H 0.112615 0.523941 0.936571 0.078 Uiso 1 1 calc R U . . .
H52C H 0.141365 0.482423 0.913665 0.078 Uiso 1 1 calc R U . . .
C118 C 0.28879(14) 0.56261(14) 0.49540(13) 0.0565(12) Uani 1 1 d . . . . .
H11D H 0.267277 0.558295 0.472033 0.085 Uiso 1 1 calc R U . . .
H11E H 0.318896 0.547171 0.489162 0.085 Uiso 1 1 calc R U . . .
H11F H 0.293849 0.596897 0.500175 0.085 Uiso 1 1 calc R U . . .
C100 C 0.02779(13) 0.60326(13) 0.73419(15) 0.0600(13) Uani 1 1 d . . . . .
H10G H 0.021996 0.613375 0.762754 0.090 Uiso 1 1 calc R U . . .
H10H H 0.023940 0.568455 0.732051 0.090 Uiso 1 1 calc R U . . .
H10I H 0.005350 0.619169 0.715758 0.090 Uiso 1 1 calc R U . . .
C104 C -0.00016(13) 0.76416(16) 0.80007(13) 0.0588(12) Uani 1 1 d . . . . .
H10J H 0.026553 0.766098 0.819116 0.088 Uiso 1 1 calc R U . . .
H10K H -0.010340 0.730735 0.797592 0.088 Uiso 1 1 calc R U . . .
H10L H -0.026139 0.783616 0.810731 0.088 Uiso 1 1 calc R U . . .
C156 C 0.49529(12) 0.82008(13) 0.54389(13) 0.0425(9) Uani 1 1 d . . . . .
C137 C 0.19346(15) 0.88294(14) 0.60146(12) 0.0580(12) Uani 1 1 d . . . . .
H13G H 0.190135 0.851321 0.614316 0.087 Uiso 1 1 calc R U . . .
H13H H 0.184180 0.907766 0.621268 0.087 Uiso 1 1 calc R U . . .
H13I H 0.226265 0.887885 0.593290 0.087 Uiso 1 1 calc R U . . .
C51 C 0.05822(13) 0.55238(14) 0.87270(15) 0.0647(13) Uani 1 1 d . . . . .
H51A H 0.053431 0.568589 0.846154 0.097 Uiso 1 1 calc R U . . .
H51B H 0.057444 0.576033 0.895087 0.097 Uiso 1 1 calc R U . . .
H51C H 0.033240 0.528728 0.876967 0.097 Uiso 1 1 calc R U . . .
C18 C 0.53392(13) 0.83187(15) 0.87257(14) 0.0617(12) Uani 1 1 d . . . . .
H18A H 0.541591 0.797693 0.870949 0.093 Uiso 1 1 calc R U . . .
H18B H 0.562228 0.850038 0.879794 0.093 Uiso 1 1 calc R U . . .
H18C H 0.522036 0.842831 0.845751 0.093 Uiso 1 1 calc R U . . .
C152 C 0.42152(13) 0.65437(14) 0.55878(15) 0.0555(12) Uani 1 1 d . . . . .
C153 C 0.39034(15) 0.64506(15) 0.59690(14) 0.0676(14) Uani 1 1 d . . . . .
H15A H 0.400609 0.665591 0.619757 0.101 Uiso 1 1 calc R U . . .
H15B H 0.393038 0.611373 0.605098 0.101 Uiso 1 1 calc R U . . .
H15C H 0.357550 0.652301 0.590069 0.101 Uiso 1 1 calc R U . . .
C83 C 0.32341(18) 0.83107(15) 0.78261(12) 0.0697(15) Uani 1 1 d . . . . .
H83A H 0.336577 0.800652 0.792357 0.105 Uiso 1 1 calc R U . . .
H83B H 0.289452 0.827561 0.778578 0.105 Uiso 1 1 calc R U . . .
H83C H 0.329405 0.856124 0.803174 0.105 Uiso 1 1 calc R U . . .
C32 C 0.06263(15) 0.97901(15) 0.86848(16) 0.0769(15) Uani 1 1 d . . . . .
H32A H 0.031340 0.966208 0.862321 0.115 Uiso 1 1 calc R U . . .
H32B H 0.071525 1.002277 0.847177 0.115 Uiso 1 1 calc R U . . .
H32C H 0.062177 0.994797 0.895539 0.115 Uiso 1 1 calc R U . . .
C124 C 0.04500(15) 0.55205(15) 0.56256(16) 0.0761(15) Uani 1 1 d . . . . .
H12G H 0.046879 0.567934 0.589529 0.114 Uiso 1 1 calc R U . . .
H12H H 0.018312 0.529854 0.562388 0.114 Uiso 1 1 calc R U . . .
H12I H 0.040702 0.576162 0.540865 0.114 Uiso 1 1 calc R U . . .
C159 C 0.48374(14) 0.87310(14) 0.53832(15) 0.0658(13) Uani 1 1 d . . . . .
H15D H 0.469629 0.878131 0.511019 0.099 Uiso 1 1 calc R U . . .
H15E H 0.512630 0.892037 0.540562 0.099 Uiso 1 1 calc R U . . .
H15F H 0.461547 0.883183 0.559790 0.099 Uiso 1 1 calc R U . . .
C138 C 0.06713(15) 0.96929(14) 0.52098(15) 0.0736(15) Uani 1 1 d . . . . .
H13J H 0.055306 0.978172 0.548383 0.110 Uiso 1 1 calc R U . . .
H13K H 0.040784 0.959524 0.503372 0.110 Uiso 1 1 calc R U . . .
H13L H 0.083084 0.996839 0.508491 0.110 Uiso 1 1 calc R U . . .
C17 C 0.48356(14) 0.89358(13) 0.90660(17) 0.0753(16) Uani 1 1 d . . . . .
H17A H 0.471211 0.903227 0.879569 0.113 Uiso 1 1 calc R U . . .
H17B H 0.511682 0.912448 0.912990 0.113 Uiso 1 1 calc R U . . .
H17C H 0.459648 0.899184 0.927865 0.113 Uiso 1 1 calc R U . . .
C68 C 0.43190(15) 0.50644(14) 0.65159(15) 0.0703(14) Uani 1 1 d . . . . .
H68A H 0.459192 0.486297 0.645312 0.105 Uiso 1 1 calc R U . . .
H68B H 0.441769 0.540018 0.653324 0.105 Uiso 1 1 calc R U . . .
H68C H 0.408385 0.502899 0.629671 0.105 Uiso 1 1 calc R U . . .
C123 C 0.09587(15) 0.48692(14) 0.58855(13) 0.0634(13) Uani 1 1 d . . . . .
H12J H 0.123197 0.466762 0.582449 0.095 Uiso 1 1 calc R U . . .
H12K H 0.067589 0.466936 0.589822 0.095 Uiso 1 1 calc R U . . .
H12L H 0.100479 0.502971 0.615197 0.095 Uiso 1 1 calc R U . . .
C157 C 0.51764(17) 0.81291(18) 0.58568(15) 0.0844(17) Uani 1 1 d . . . . .
H15G H 0.494849 0.820694 0.607376 0.127 Uiso 1 1 calc R U . . .
H15H H 0.545074 0.833926 0.588269 0.127 Uiso 1 1 calc R U . . .
H15I H 0.527543 0.779446 0.588567 0.127 Uiso 1 1 calc R U . . .
C155 C 0.40811(15) 0.62078(14) 0.52310(16) 0.0765(16) Uani 1 1 d . . . . .
H15J H 0.375219 0.626211 0.515431 0.115 Uiso 1 1 calc R U . . .
H15K H 0.412185 0.587424 0.531865 0.115 Uiso 1 1 calc R U . . .
H15L H 0.428346 0.627252 0.499234 0.115 Uiso 1 1 calc R U . . .
C103 C 0.02819(14) 0.83590(14) 0.76157(17) 0.0752(16) Uani 1 1 d . . . . .
H10M H 0.001539 0.853960 0.772782 0.113 Uiso 1 1 calc R U . . .
H10N H 0.036558 0.848697 0.734334 0.113 Uiso 1 1 calc R U . . .
H10O H 0.055129 0.838898 0.780265 0.113 Uiso 1 1 calc R U . . .
C122 C 0.08608(17) 0.49871(17) 0.51268(13) 0.0785(16) Uani 1 1 d . . . . .
H12M H 0.081637 0.522480 0.490729 0.118 Uiso 1 1 calc R U . . .
H12N H 0.059131 0.476858 0.513227 0.118 Uiso 1 1 calc R U . . .
H12O H 0.114863 0.480439 0.507385 0.118 Uiso 1 1 calc R U . . .
C69 C 0.44587(15) 0.49909(16) 0.72793(16) 0.0794(16) Uani 1 1 d . . . . .
H69A H 0.430713 0.493023 0.754629 0.119 Uiso 1 1 calc R U . . .
H69B H 0.457065 0.532274 0.727000 0.119 Uiso 1 1 calc R U . . .
H69C H 0.472526 0.477222 0.724482 0.119 Uiso 1 1 calc R U . . .
C158 C 0.53020(15) 0.80604(17) 0.50955(15) 0.0756(15) Uani 1 1 d . . . . .
H15M H 0.539560 0.772497 0.513114 0.113 Uiso 1 1 calc R U . . .
H15N H 0.558051 0.826602 0.511189 0.113 Uiso 1 1 calc R U . . .
H15O H 0.515199 0.810073 0.482497 0.113 Uiso 1 1 calc R U . . .
C154 C 0.47281(15) 0.64245(16) 0.57140(18) 0.0897(19) Uani 1 1 d . . . . .
H15P H 0.493780 0.648250 0.547891 0.135 Uiso 1 1 calc R U . . .
H15Q H 0.474853 0.608722 0.579630 0.135 Uiso 1 1 calc R U . . .
H15R H 0.482188 0.662844 0.594641 0.135 Uiso 1 1 calc R U . . .
C85 C 0.3509(2) 0.80689(18) 0.62880(13) 0.101(2) Uani 1 1 d . . . . .
H85A H 0.367489 0.776118 0.629361 0.152 Uiso 1 1 calc R U . . .
H85B H 0.362667 0.826257 0.605733 0.152 Uiso 1 1 calc R U . . .
H85C H 0.317169 0.801272 0.625250 0.152 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sb1 O39 1.9741(19) . ?
Sb1 O4 1.972(2) . ?
Sb1 O3 1.921(2) . ?
Sb1 O2 1.953(2) . ?
Sb1 N19 2.084(2) . ?
Sb1 N34 2.084(2) . ?
Sb10 O109 1.980(2) . ?
Sb10 O107 1.928(2) . ?
Sb10 O145 1.973(2) . ?
Sb10 O108 1.943(2) . ?
Sb10 N140 2.089(2) . ?
Sb10 N125 2.093(3) . ?
Sb53 O91 1.977(2) . ?
Sb53 O56 1.982(2) . ?
Sb53 O55 1.955(2) . ?
Sb53 O54 1.955(2) . ?
Sb53 N86 2.071(2) . ?
Sb53 N71 2.076(3) . ?
O91 C92 1.379(4) . ?
O56 C57 1.376(4) . ?
O109 C110 1.364(4) . ?
O39 C40 1.361(3) . ?
O55 H55 0.8699 . ?
O4 C5 1.368(3) . ?
O107 H107 0.8701 . ?
O145 C146 1.372(4) . ?
O3 H3 0.8698 . ?
O2 H2 0.8701 . ?
O54 H54 0.8400 . ?
O108 H108 0.8703 . ?
N19 C23 1.410(4) . ?
N19 C20 1.368(4) . ?
N86 C90 1.379(4) . ?
N86 C87 1.408(4) . ?
N140 C144 1.393(4) . ?
N140 C141 1.372(4) . ?
N34 C35 1.408(4) . ?
N34 C38 1.363(4) . ?
N125 C129 1.401(4) . ?
N125 C126 1.364(4) . ?
N71 C75 1.416(4) . ?
N71 C72 1.358(4) . ?
C57 C58 1.416(4) . ?
C57 C62 1.420(4) . ?
C151 C146 1.412(4) . ?
C151 C141 1.461(4) . ?
C151 C150 1.418(4) . ?
C23 C24 1.389(4) . ?
C23 C22 1.414(4) . ?
C146 C147 1.413(4) . ?
C90 C93 1.464(4) . ?
C90 C89 1.411(4) . ?
C58 C59 1.394(4) . ?
C58 C63 1.544(4) . ?
C76 C87 1.396(5) . ?
C76 C77 1.514(4) . ?
C76 C75 1.403(4) . ?
C92 C93 1.406(4) . ?
C92 C97 1.409(4) . ?
C10 C5 1.415(4) . ?
C10 C20 1.460(4) . ?
C10 C9 1.414(4) . ?
C5 C6 1.413(4) . ?
C20 C21 1.416(4) . ?
C87 C88 1.407(4) . ?
C59 H59 0.9500 . ?
C59 C60 1.403(4) . ?
C142 H142 0.9500 . ?
C142 C143 1.371(4) . ?
C142 C141 1.427(4) . ?
C24 C25 1.518(4) . ?
C24 C35 1.407(4) . ?
C144 C143 1.410(4) . ?
C144 C130 1.402(4) . ?
C40 C41 1.410(4) . ?
C40 C44 1.419(4) . ?
C115 C110 1.423(4) . ?
C115 C114 1.392(4) . ?
C115 C116 1.543(5) . ?
C88 H88 0.9500 . ?
C88 C89 1.379(5) . ?
C77 C78 1.398(4) . ?
C77 C82 1.401(5) . ?
C62 C61 1.415(4) . ?
C62 C72 1.469(4) . ?
C143 H143 0.9500 . ?
C130 C131 1.509(4) . ?
C130 C129 1.411(4) . ?
C25 C26 1.394(4) . ?
C25 C30 1.394(4) . ?
C160 H160 0.9500 . ?
C160 C43 1.393(4) . ?
C160 C44 1.393(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.371(4) . ?
C9 H9 0.9500 . ?
C9 C8 1.376(4) . ?
C26 C27 1.406(5) . ?
C26 C31 1.510(5) . ?
C150 H150 0.9500 . ?
C150 C149 1.376(4) . ?
C110 C111 1.419(4) . ?
C43 C42 1.386(4) . ?
C43 C49 1.545(4) . ?
C75 C74 1.403(5) . ?
C78 C79 1.399(4) . ?
C78 C83 1.507(5) . ?
C61 H61 0.9500 . ?
C61 C60 1.383(4) . ?
C93 C94 1.413(4) . ?
C89 H89 0.9500 . ?
C7 H7 0.9500 . ?
C7 C6 1.391(4) . ?
C7 C8 1.404(4) . ?
C42 H42 0.9500 . ?
C42 C41 1.417(4) . ?
C147 C148 1.396(5) . ?
C147 C152 1.545(5) . ?
C41 C38 1.475(4) . ?
C132 C131 1.400(5) . ?
C132 C133 1.401(4) . ?
C132 C139 1.518(5) . ?
C60 C67 1.536(5) . ?
C35 C36 1.413(4) . ?
C44 C45 1.543(4) . ?
C38 C37 1.413(4) . ?
C131 C136 1.399(5) . ?
C6 C11 1.539(4) . ?
C63 C64 1.546(5) . ?
C63 C65 1.543(5) . ?
C63 C66 1.528(4) . ?
C22 H22 0.9500 . ?
C114 H114 0.9500 . ?
C114 C113 1.403(5) . ?
C11 C14 1.539(5) . ?
C11 C12 1.537(5) . ?
C11 C13 1.545(4) . ?
C111 C112 1.418(4) . ?
C111 C126 1.472(4) . ?
C37 H37 0.9500 . ?
C37 C36 1.372(4) . ?
C74 H74 0.9500 . ?
C74 C73 1.367(5) . ?
C149 C148 1.403(5) . ?
C149 C156 1.543(5) . ?
C129 C128 1.408(4) . ?
C30 C29 1.399(5) . ?
C30 C33 1.518(5) . ?
C36 H36 0.9500 . ?
C112 H112 0.9500 . ?
C112 C113 1.374(5) . ?
C8 C15 1.553(5) . ?
C96 H96 0.9500 . ?
C96 C97 1.394(5) . ?
C96 C95 1.408(5) . ?
C72 C73 1.420(4) . ?
C126 C127 1.417(5) . ?
C128 H128 0.9500 . ?
C128 C127 1.370(5) . ?
C80 C79 1.376(5) . ?
C80 C81 1.373(5) . ?
C80 C84 1.533(4) . ?
C45 C46 1.533(5) . ?
C45 C48 1.546(4) . ?
C45 C47 1.538(5) . ?
C94 H94 0.9500 . ?
C94 C95 1.378(5) . ?
C97 C98 1.543(4) . ?
C148 H148 0.9500 . ?
C79 H79 0.9500 . ?
C95 C102 1.545(5) . ?
C73 H73 0.9500 . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C101 C98 1.540(5) . ?
C105 H10D 0.9800 . ?
C105 H10E 0.9800 . ?
C105 H10F 0.9800 . ?
C105 C102 1.543(5) . ?
C133 H133 0.9500 . ?
C133 C134 1.387(5) . ?
C136 C135 1.400(5) . ?
C136 C137 1.513(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.385(5) . ?
C113 C121 1.552(5) . ?
C139 H13D 0.9800 . ?
C139 H13E 0.9800 . ?
C139 H13F 0.9800 . ?
C127 H127 0.9500 . ?
C82 C81 1.404(5) . ?
C82 C85 1.504(5) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C15 C16 1.532(5) . ?
C15 C18 1.527(5) . ?
C15 C17 1.546(5) . ?
C29 H29 0.9500 . ?
C29 C28 1.371(5) . ?
C116 C119 1.540(5) . ?
C116 C120 1.548(5) . ?
C116 C118 1.539(5) . ?
C28 C32 1.527(5) . ?
C98 C99 1.541(5) . ?
C98 C100 1.543(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C49 C50 1.543(5) . ?
C49 C52 1.538(5) . ?
C49 C51 1.533(5) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C119 H11A 0.9800 . ?
C119 H11B 0.9800 . ?
C119 H11C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C67 C70 1.533(5) . ?
C67 C68 1.538(5) . ?
C67 C69 1.527(5) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C135 H135 0.9500 . ?
C135 C134 1.381(5) . ?
C134 C138 1.522(5) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C81 H81 0.9500 . ?
C102 C104 1.535(5) . ?
C102 C103 1.533(5) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C120 H12D 0.9800 . ?
C120 H12E 0.9800 . ?
C120 H12F 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C121 C124 1.521(6) . ?
C121 C123 1.524(5) . ?
C121 C122 1.539(5) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C118 H11D 0.9800 . ?
C118 H11E 0.9800 . ?
C118 H11F 0.9800 . ?
C100 H10G 0.9800 . ?
C100 H10H 0.9800 . ?
C100 H10I 0.9800 . ?
C104 H10J 0.9800 . ?
C104 H10K 0.9800 . ?
C104 H10L 0.9800 . ?
C156 C159 1.527(5) . ?
C156 C157 1.507(5) . ?
C156 C158 1.541(5) . ?
C137 H13G 0.9800 . ?
C137 H13H 0.9800 . ?
C137 H13I 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C152 C153 1.541(6) . ?
C152 C155 1.535(6) . ?
C152 C154 1.552(5) . ?
C153 H15A 0.9800 . ?
C153 H15B 0.9800 . ?
C153 H15C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C124 H12G 0.9800 . ?
C124 H12H 0.9800 . ?
C124 H12I 0.9800 . ?
C159 H15D 0.9800 . ?
C159 H15E 0.9800 . ?
C159 H15F 0.9800 . ?
C138 H13J 0.9800 . ?
C138 H13K 0.9800 . ?
C138 H13L 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C123 H12J 0.9800 . ?
C123 H12K 0.9800 . ?
C123 H12L 0.9800 . ?
C157 H15G 0.9800 . ?
C157 H15H 0.9800 . ?
C157 H15I 0.9800 . ?
C155 H15J 0.9800 . ?
C155 H15K 0.9800 . ?
C155 H15L 0.9800 . ?
C103 H10M 0.9800 . ?
C103 H10N 0.9800 . ?
C103 H10O 0.9800 . ?
C122 H12M 0.9800 . ?
C122 H12N 0.9800 . ?
C122 H12O 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C158 H15M 0.9800 . ?
C158 H15N 0.9800 . ?
C158 H15O 0.9800 . ?
C154 H15P 0.9800 . ?
C154 H15Q 0.9800 . ?
C154 H15R 0.9800 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O39 Sb1 N19 177.22(10) . . ?
O39 Sb1 N34 89.10(9) . . ?
O4 Sb1 O39 91.59(8) . . ?
O4 Sb1 N19 89.72(9) . . ?
O4 Sb1 N34 174.51(10) . . ?
O3 Sb1 O39 89.20(9) . . ?
O3 Sb1 O4 91.24(10) . . ?
O3 Sb1 O2 178.60(10) . . ?
O3 Sb1 N19 88.32(10) . . ?
O3 Sb1 N34 94.22(10) . . ?
O2 Sb1 O39 92.18(9) . . ?
O2 Sb1 O4 88.48(10) . . ?
O2 Sb1 N19 90.31(10) . . ?
O2 Sb1 N34 86.05(10) . . ?
N19 Sb1 N34 89.84(9) . . ?
O109 Sb10 N140 176.94(10) . . ?
O109 Sb10 N125 88.64(9) . . ?
O107 Sb10 O109 91.15(9) . . ?
O107 Sb10 O145 90.87(10) . . ?
O107 Sb10 O108 178.45(9) . . ?
O107 Sb10 N140 86.68(10) . . ?
O107 Sb10 N125 91.71(10) . . ?
O145 Sb10 O109 92.72(9) . . ?
O145 Sb10 N140 89.48(9) . . ?
O145 Sb10 N125 177.05(10) . . ?
O108 Sb10 O109 90.39(9) . . ?
O108 Sb10 O145 88.91(10) . . ?
O108 Sb10 N140 91.78(10) . . ?
O108 Sb10 N125 88.46(10) . . ?
N140 Sb10 N125 89.26(10) . . ?
O91 Sb53 O56 94.80(9) . . ?
O91 Sb53 N86 89.11(9) . . ?
O91 Sb53 N71 171.42(10) . . ?
O56 Sb53 N86 171.15(10) . . ?
O56 Sb53 N71 89.78(9) . . ?
O55 Sb53 O91 92.49(9) . . ?
O55 Sb53 O56 85.64(9) . . ?
O55 Sb53 N86 86.26(9) . . ?
O55 Sb53 N71 95.09(10) . . ?
O54 Sb53 O91 86.13(9) . . ?
O54 Sb53 O56 91.50(10) . . ?
O54 Sb53 O55 176.71(9) . . ?
O54 Sb53 N86 96.69(10) . . ?
O54 Sb53 N71 86.51(10) . . ?
N86 Sb53 N71 87.39(10) . . ?
C92 O91 Sb53 125.97(19) . . ?
C57 O56 Sb53 126.49(18) . . ?
C110 O109 Sb10 129.08(19) . . ?
C40 O39 Sb1 130.09(18) . . ?
Sb53 O55 H55 108.9 . . ?
C5 O4 Sb1 129.86(19) . . ?
Sb10 O107 H107 109.7 . . ?
C146 O145 Sb10 126.12(19) . . ?
Sb1 O3 H3 108.9 . . ?
Sb1 O2 H2 110.5 . . ?
Sb53 O54 H54 109.5 . . ?
Sb10 O108 H108 105.9 . . ?
C23 N19 Sb1 125.98(19) . . ?
C20 N19 Sb1 124.71(19) . . ?
C20 N19 C23 109.3(2) . . ?
C90 N86 Sb53 123.24(19) . . ?
C90 N86 C87 108.1(2) . . ?
C87 N86 Sb53 128.6(2) . . ?
C144 N140 Sb10 126.6(2) . . ?
C141 N140 Sb10 123.6(2) . . ?
C141 N140 C144 109.4(2) . . ?
C35 N34 Sb1 126.0(2) . . ?
C38 N34 Sb1 125.2(2) . . ?
C38 N34 C35 108.8(3) . . ?
C129 N125 Sb10 125.6(2) . . ?
C126 N125 Sb10 125.6(2) . . ?
C126 N125 C129 108.6(3) . . ?
C75 N71 Sb53 127.7(2) . . ?
C72 N71 Sb53 124.2(2) . . ?
C72 N71 C75 108.1(3) . . ?
O56 C57 C58 118.7(3) . . ?
O56 C57 C62 121.0(3) . . ?
C58 C57 C62 120.2(3) . . ?
C146 C151 C141 124.2(3) . . ?
C146 C151 C150 118.2(3) . . ?
C150 C151 C141 117.3(3) . . ?
N19 C23 C22 106.4(3) . . ?
C24 C23 N19 125.7(3) . . ?
C24 C23 C22 127.9(3) . . ?
O145 C146 C151 121.0(3) . . ?
O145 C146 C147 118.0(3) . . ?
C151 C146 C147 120.8(3) . . ?
N86 C90 C93 124.5(3) . . ?
N86 C90 C89 108.3(3) . . ?
C89 C90 C93 126.9(3) . . ?
C57 C58 C63 121.5(3) . . ?
C59 C58 C57 117.7(3) . . ?
C59 C58 C63 120.7(3) . . ?
C87 C76 C77 118.8(3) . . ?
C87 C76 C75 124.4(3) . . ?
C75 C76 C77 116.8(3) . . ?
O91 C92 C93 120.6(3) . . ?
O91 C92 C97 118.7(3) . . ?
C93 C92 C97 120.6(3) . . ?
C5 C10 C20 124.8(3) . . ?
C9 C10 C5 118.2(3) . . ?
C9 C10 C20 117.0(3) . . ?
O4 C5 C10 122.0(3) . . ?
O4 C5 C6 117.2(3) . . ?
C6 C5 C10 120.7(3) . . ?
N19 C20 C10 125.3(3) . . ?
N19 C20 C21 107.4(3) . . ?
C21 C20 C10 127.1(3) . . ?
C76 C87 N86 125.2(3) . . ?
C76 C87 C88 127.3(3) . . ?
C88 C87 N86 107.2(3) . . ?
C58 C59 H59 117.9 . . ?
C58 C59 C60 124.1(3) . . ?
C60 C59 H59 117.9 . . ?
C143 C142 H142 125.9 . . ?
C143 C142 C141 108.3(3) . . ?
C141 C142 H142 125.9 . . ?
C23 C24 C25 117.0(3) . . ?
C23 C24 C35 127.0(3) . . ?
C35 C24 C25 116.0(3) . . ?
N140 C144 C143 107.2(3) . . ?
N140 C144 C130 124.9(3) . . ?
C130 C144 C143 127.7(3) . . ?
O39 C40 C41 122.0(3) . . ?
O39 C40 C44 117.4(3) . . ?
C41 C40 C44 120.5(3) . . ?
C110 C115 C116 120.8(3) . . ?
C114 C115 C110 117.3(3) . . ?
C114 C115 C116 121.8(3) . . ?
C87 C88 H88 125.8 . . ?
C89 C88 C87 108.4(3) . . ?
C89 C88 H88 125.8 . . ?
C78 C77 C76 120.0(3) . . ?
C78 C77 C82 120.2(3) . . ?
C82 C77 C76 119.8(3) . . ?
C57 C62 C72 124.6(3) . . ?
C61 C62 C57 118.5(3) . . ?
C61 C62 C72 116.9(3) . . ?
C142 C143 C144 108.1(3) . . ?
C142 C143 H143 126.0 . . ?
C144 C143 H143 126.0 . . ?
C144 C130 C131 117.8(3) . . ?
C144 C130 C129 126.3(3) . . ?
C129 C130 C131 115.9(3) . . ?
N140 C141 C151 124.4(3) . . ?
N140 C141 C142 106.9(3) . . ?
C142 C141 C151 128.2(3) . . ?
C26 C25 C24 119.5(3) . . ?
C30 C25 C24 119.8(3) . . ?
C30 C25 C26 120.6(3) . . ?
C43 C160 H160 117.8 . . ?
C44 C160 H160 117.8 . . ?
C44 C160 C43 124.4(3) . . ?
C20 C21 H21 125.7 . . ?
C22 C21 C20 108.5(3) . . ?
C22 C21 H21 125.7 . . ?
C10 C9 H9 118.6 . . ?
C8 C9 C10 122.7(3) . . ?
C8 C9 H9 118.6 . . ?
C25 C26 C27 118.0(3) . . ?
C25 C26 C31 121.8(3) . . ?
C27 C26 C31 120.2(3) . . ?
C151 C150 H150 118.7 . . ?
C149 C150 C151 122.7(3) . . ?
C149 C150 H150 118.7 . . ?
O109 C110 C115 117.8(3) . . ?
O109 C110 C111 122.1(3) . . ?
C111 C110 C115 120.1(3) . . ?
C160 C43 C49 119.1(3) . . ?
C42 C43 C160 117.0(3) . . ?
C42 C43 C49 123.9(3) . . ?
C76 C75 N71 125.8(3) . . ?
C74 C75 N71 106.8(3) . . ?
C74 C75 C76 127.2(3) . . ?
C77 C78 C79 118.8(3) . . ?
C77 C78 C83 121.8(3) . . ?
C79 C78 C83 119.4(3) . . ?
C62 C61 H61 118.6 . . ?
C60 C61 C62 122.7(3) . . ?
C60 C61 H61 118.6 . . ?
C92 C93 C90 124.1(3) . . ?
C92 C93 C94 118.7(3) . . ?
C94 C93 C90 117.0(3) . . ?
C90 C89 H89 126.1 . . ?
C88 C89 C90 107.8(3) . . ?
C88 C89 H89 126.1 . . ?
C6 C7 H7 117.9 . . ?
C6 C7 C8 124.1(3) . . ?
C8 C7 H7 117.9 . . ?
C43 C42 H42 118.9 . . ?
C43 C42 C41 122.1(3) . . ?
C41 C42 H42 118.9 . . ?
C146 C147 C152 121.7(3) . . ?
C148 C147 C146 117.3(3) . . ?
C148 C147 C152 120.9(3) . . ?
C40 C41 C42 118.6(3) . . ?
C40 C41 C38 124.6(3) . . ?
C42 C41 C38 116.8(3) . . ?
C131 C132 C133 118.0(3) . . ?
C131 C132 C139 121.5(3) . . ?
C133 C132 C139 120.5(3) . . ?
C59 C60 C67 123.4(3) . . ?
C61 C60 C59 116.7(3) . . ?
C61 C60 C67 119.8(3) . . ?
N34 C35 C36 106.8(3) . . ?
C24 C35 N34 125.2(3) . . ?
C24 C35 C36 127.9(3) . . ?
C40 C44 C45 121.7(3) . . ?
C160 C44 C40 117.2(3) . . ?
C160 C44 C45 121.0(3) . . ?
N34 C38 C41 124.5(3) . . ?
N34 C38 C37 107.9(3) . . ?
C37 C38 C41 127.4(3) . . ?
C132 C131 C130 119.4(3) . . ?
C136 C131 C130 120.0(3) . . ?
C136 C131 C132 120.6(3) . . ?
C5 C6 C11 121.8(3) . . ?
C7 C6 C5 117.3(3) . . ?
C7 C6 C11 120.9(3) . . ?
C58 C63 C64 110.5(3) . . ?
C65 C63 C58 109.9(3) . . ?
C65 C63 C64 110.7(3) . . ?
C66 C63 C58 111.7(3) . . ?
C66 C63 C64 107.2(3) . . ?
C66 C63 C65 106.8(3) . . ?
C23 C22 H22 125.8 . . ?
C21 C22 C23 108.4(3) . . ?
C21 C22 H22 125.8 . . ?
C115 C114 H114 117.9 . . ?
C115 C114 C113 124.1(3) . . ?
C113 C114 H114 117.9 . . ?
C6 C11 C14 109.2(3) . . ?
C6 C11 C13 111.7(3) . . ?
C14 C11 C13 106.7(3) . . ?
C12 C11 C6 110.5(3) . . ?
C12 C11 C14 111.8(3) . . ?
C12 C11 C13 106.9(3) . . ?
C110 C111 C126 123.8(3) . . ?
C112 C111 C110 118.9(3) . . ?
C112 C111 C126 117.0(3) . . ?
C38 C37 H37 125.8 . . ?
C36 C37 C38 108.3(3) . . ?
C36 C37 H37 125.8 . . ?
C75 C74 H74 125.5 . . ?
C73 C74 C75 109.0(3) . . ?
C73 C74 H74 125.5 . . ?
C150 C149 C148 117.0(3) . . ?
C150 C149 C156 123.0(3) . . ?
C148 C149 C156 120.0(3) . . ?
N125 C129 C130 125.6(3) . . ?
N125 C129 C128 106.9(3) . . ?
C128 C129 C130 127.3(3) . . ?
C25 C30 C29 118.8(3) . . ?
C25 C30 C33 121.4(3) . . ?
C29 C30 C33 119.8(3) . . ?
C35 C36 H36 126.0 . . ?
C37 C36 C35 108.0(3) . . ?
C37 C36 H36 126.0 . . ?
C111 C112 H112 119.0 . . ?
C113 C112 C111 122.1(3) . . ?
C113 C112 H112 119.0 . . ?
C9 C8 C7 116.9(3) . . ?
C9 C8 C15 124.4(3) . . ?
C7 C8 C15 118.6(3) . . ?
C97 C96 H96 117.9 . . ?
C97 C96 C95 124.2(3) . . ?
C95 C96 H96 117.9 . . ?
N71 C72 C62 125.0(3) . . ?
N71 C72 C73 108.7(3) . . ?
C73 C72 C62 126.1(3) . . ?
N125 C126 C111 124.1(3) . . ?
N125 C126 C127 108.2(3) . . ?
C127 C126 C111 127.3(3) . . ?
C129 C128 H128 125.7 . . ?
C127 C128 C129 108.6(3) . . ?
C127 C128 H128 125.7 . . ?
C79 C80 C84 121.0(3) . . ?
C81 C80 C79 117.9(3) . . ?
C81 C80 C84 121.1(3) . . ?
C44 C45 C48 111.4(3) . . ?
C46 C45 C44 109.9(3) . . ?
C46 C45 C48 106.7(3) . . ?
C46 C45 C47 111.8(3) . . ?
C47 C45 C44 109.8(3) . . ?
C47 C45 C48 107.1(3) . . ?
C93 C94 H94 118.7 . . ?
C95 C94 C93 122.7(3) . . ?
C95 C94 H94 118.7 . . ?
C92 C97 C98 121.7(3) . . ?
C96 C97 C92 117.4(3) . . ?
C96 C97 C98 120.9(3) . . ?
C147 C148 C149 123.9(3) . . ?
C147 C148 H148 118.0 . . ?
C149 C148 H148 118.0 . . ?
C78 C79 H79 118.9 . . ?
C80 C79 C78 122.3(3) . . ?
C80 C79 H79 118.9 . . ?
C96 C95 C102 120.1(3) . . ?
C94 C95 C96 116.3(3) . . ?
C94 C95 C102 123.6(3) . . ?
C74 C73 C72 107.3(3) . . ?
C74 C73 H73 126.3 . . ?
C72 C73 H73 126.3 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C98 C101 H10A 109.5 . . ?
C98 C101 H10B 109.5 . . ?
C98 C101 H10C 109.5 . . ?
H10D C105 H10E 109.5 . . ?
H10D C105 H10F 109.5 . . ?
H10E C105 H10F 109.5 . . ?
C102 C105 H10D 109.5 . . ?
C102 C105 H10E 109.5 . . ?
C102 C105 H10F 109.5 . . ?
C132 C133 H133 118.6 . . ?
C134 C133 C132 122.7(4) . . ?
C134 C133 H133 118.6 . . ?
C131 C136 C135 118.9(4) . . ?
C131 C136 C137 121.1(3) . . ?
C135 C136 C137 120.0(3) . . ?
C26 C27 H27 118.8 . . ?
C28 C27 C26 122.5(3) . . ?
C28 C27 H27 118.8 . . ?
C114 C113 C121 118.9(3) . . ?
C112 C113 C114 117.4(3) . . ?
C112 C113 C121 123.6(3) . . ?
C132 C139 H13D 109.5 . . ?
C132 C139 H13E 109.5 . . ?
C132 C139 H13F 109.5 . . ?
H13D C139 H13E 109.5 . . ?
H13D C139 H13F 109.5 . . ?
H13E C139 H13F 109.5 . . ?
C126 C127 H127 126.2 . . ?
C128 C127 C126 107.6(3) . . ?
C128 C127 H127 126.2 . . ?
C77 C82 C81 118.2(3) . . ?
C77 C82 C85 122.1(3) . . ?
C81 C82 C85 119.7(3) . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C16 C15 C8 107.5(3) . . ?
C16 C15 C17 108.6(3) . . ?
C18 C15 C8 111.2(3) . . ?
C18 C15 C16 109.8(3) . . ?
C18 C15 C17 108.6(3) . . ?
C17 C15 C8 111.1(3) . . ?
C30 C29 H29 118.8 . . ?
C28 C29 C30 122.4(4) . . ?
C28 C29 H29 118.8 . . ?
C115 C116 C120 111.3(3) . . ?
C119 C116 C115 110.3(3) . . ?
C119 C116 C120 107.5(3) . . ?
C118 C116 C115 110.1(3) . . ?
C118 C116 C119 111.0(3) . . ?
C118 C116 C120 106.7(3) . . ?
C27 C28 C32 120.4(4) . . ?
C29 C28 C27 117.7(3) . . ?
C29 C28 C32 121.9(4) . . ?
C101 C98 C97 110.2(3) . . ?
C101 C98 C99 110.1(3) . . ?
C101 C98 C100 107.5(3) . . ?
C99 C98 C97 109.5(3) . . ?
C99 C98 C100 107.6(3) . . ?
C100 C98 C97 111.9(3) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C50 C49 C43 110.1(3) . . ?
C52 C49 C43 108.3(3) . . ?
C52 C49 C50 109.3(3) . . ?
C51 C49 C43 111.9(3) . . ?
C51 C49 C50 108.8(3) . . ?
C51 C49 C52 108.4(3) . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C116 C119 H11A 109.5 . . ?
C116 C119 H11B 109.5 . . ?
C116 C119 H11C 109.5 . . ?
H11A C119 H11B 109.5 . . ?
H11A C119 H11C 109.5 . . ?
H11B C119 H11C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C60 C67 C68 108.5(3) . . ?
C70 C67 C60 112.6(3) . . ?
C70 C67 C68 108.2(3) . . ?
C69 C67 C60 109.9(3) . . ?
C69 C67 C70 107.7(3) . . ?
C69 C67 C68 109.9(4) . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C136 C135 H135 119.0 . . ?
C134 C135 C136 122.0(4) . . ?
C134 C135 H135 119.0 . . ?
C133 C134 C138 121.0(4) . . ?
C135 C134 C133 117.8(3) . . ?
C135 C134 C138 121.2(4) . . ?
C63 C66 H66A 109.5 . . ?
C63 C66 H66B 109.5 . . ?
C63 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C80 C81 C82 122.7(3) . . ?
C80 C81 H81 118.7 . . ?
C82 C81 H81 118.7 . . ?
C105 C102 C95 108.8(3) . . ?
C104 C102 C95 109.5(3) . . ?
C104 C102 C105 109.3(3) . . ?
C103 C102 C95 111.9(3) . . ?
C103 C102 C105 108.7(3) . . ?
C103 C102 C104 108.7(3) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C80 C84 H84A 109.5 . . ?
C80 C84 H84B 109.5 . . ?
C80 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C116 C120 H12D 109.5 . . ?
C116 C120 H12E 109.5 . . ?
C116 C120 H12F 109.5 . . ?
H12D C120 H12E 109.5 . . ?
H12D C120 H12F 109.5 . . ?
H12E C120 H12F 109.5 . . ?
C98 C99 H99A 109.5 . . ?
C98 C99 H99B 109.5 . . ?
C98 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C67 C70 H70A 109.5 . . ?
C67 C70 H70B 109.5 . . ?
C67 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C124 C121 C113 112.2(3) . . ?
C124 C121 C123 108.5(4) . . ?
C124 C121 C122 108.7(4) . . ?
C123 C121 C113 109.3(3) . . ?
C123 C121 C122 108.8(3) . . ?
C122 C121 C113 109.3(3) . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C116 C118 H11D 109.5 . . ?
C116 C118 H11E 109.5 . . ?
C116 C118 H11F 109.5 . . ?
H11D C118 H11E 109.5 . . ?
H11D C118 H11F 109.5 . . ?
H11E C118 H11F 109.5 . . ?
C98 C100 H10G 109.5 . . ?
C98 C100 H10H 109.5 . . ?
C98 C100 H10I 109.5 . . ?
H10G C100 H10H 109.5 . . ?
H10G C100 H10I 109.5 . . ?
H10H C100 H10I 109.5 . . ?
C102 C104 H10J 109.5 . . ?
C102 C104 H10K 109.5 . . ?
C102 C104 H10L 109.5 . . ?
H10J C104 H10K 109.5 . . ?
H10J C104 H10L 109.5 . . ?
H10K C104 H10L 109.5 . . ?
C159 C156 C149 112.0(3) . . ?
C159 C156 C158 107.5(3) . . ?
C157 C156 C149 109.9(3) . . ?
C157 C156 C159 109.0(4) . . ?
C157 C156 C158 109.9(4) . . ?
C158 C156 C149 108.5(3) . . ?
C136 C137 H13G 109.5 . . ?
C136 C137 H13H 109.5 . . ?
C136 C137 H13I 109.5 . . ?
H13G C137 H13H 109.5 . . ?
H13G C137 H13I 109.5 . . ?
H13H C137 H13I 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C147 C152 C154 111.6(3) . . ?
C153 C152 C147 108.7(3) . . ?
C153 C152 C154 107.2(4) . . ?
C155 C152 C147 111.1(4) . . ?
C155 C152 C153 110.8(3) . . ?
C155 C152 C154 107.5(4) . . ?
C152 C153 H15A 109.5 . . ?
C152 C153 H15B 109.5 . . ?
C152 C153 H15C 109.5 . . ?
H15A C153 H15B 109.5 . . ?
H15A C153 H15C 109.5 . . ?
H15B C153 H15C 109.5 . . ?
C78 C83 H83A 109.5 . . ?
C78 C83 H83B 109.5 . . ?
C78 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C28 C32 H32A 109.5 . . ?
C28 C32 H32B 109.5 . . ?
C28 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C121 C124 H12G 109.5 . . ?
C121 C124 H12H 109.5 . . ?
C121 C124 H12I 109.5 . . ?
H12G C124 H12H 109.5 . . ?
H12G C124 H12I 109.5 . . ?
H12H C124 H12I 109.5 . . ?
C156 C159 H15D 109.5 . . ?
C156 C159 H15E 109.5 . . ?
C156 C159 H15F 109.5 . . ?
H15D C159 H15E 109.5 . . ?
H15D C159 H15F 109.5 . . ?
H15E C159 H15F 109.5 . . ?
C134 C138 H13J 109.5 . . ?
C134 C138 H13K 109.5 . . ?
C134 C138 H13L 109.5 . . ?
H13J C138 H13K 109.5 . . ?
H13J C138 H13L 109.5 . . ?
H13K C138 H13L 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C121 C123 H12J 109.5 . . ?
C121 C123 H12K 109.5 . . ?
C121 C123 H12L 109.5 . . ?
H12J C123 H12K 109.5 . . ?
H12J C123 H12L 109.5 . . ?
H12K C123 H12L 109.5 . . ?
C156 C157 H15G 109.5 . . ?
C156 C157 H15H 109.5 . . ?
C156 C157 H15I 109.5 . . ?
H15G C157 H15H 109.5 . . ?
H15G C157 H15I 109.5 . . ?
H15H C157 H15I 109.5 . . ?
C152 C155 H15J 109.5 . . ?
C152 C155 H15K 109.5 . . ?
C152 C155 H15L 109.5 . . ?
H15J C155 H15K 109.5 . . ?
H15J C155 H15L 109.5 . . ?
H15K C155 H15L 109.5 . . ?
C102 C103 H10M 109.5 . . ?
C102 C103 H10N 109.5 . . ?
C102 C103 H10O 109.5 . . ?
H10M C103 H10N 109.5 . . ?
H10M C103 H10O 109.5 . . ?
H10N C103 H10O 109.5 . . ?
C121 C122 H12M 109.5 . . ?
C121 C122 H12N 109.5 . . ?
C121 C122 H12O 109.5 . . ?
H12M C122 H12N 109.5 . . ?
H12M C122 H12O 109.5 . . ?
H12N C122 H12O 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C156 C158 H15M 109.5 . . ?
C156 C158 H15N 109.5 . . ?
C156 C158 H15O 109.5 . . ?
H15M C158 H15N 109.5 . . ?
H15M C158 H15O 109.5 . . ?
H15N C158 H15O 109.5 . . ?
C152 C154 H15P 109.5 . . ?
C152 C154 H15Q 109.5 . . ?
C152 C154 H15R 109.5 . . ?
H15P C154 H15Q 109.5 . . ?
H15P C154 H15R 109.5 . . ?
H15Q C154 H15R 109.5 . . ?
C82 C85 H85A 109.5 . . ?
C82 C85 H85B 109.5 . . ?
C82 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sb1 O39 C40 C41 24.0(4) . . . . ?
Sb1 O39 C40 C44 -159.9(2) . . . . ?
Sb1 O4 C5 C10 23.5(4) . . . . ?
Sb1 O4 C5 C6 -159.4(2) . . . . ?
Sb1 N19 C23 C24 -1.9(4) . . . . ?
Sb1 N19 C23 C22 179.3(2) . . . . ?
Sb1 N19 C20 C10 5.6(4) . . . . ?
Sb1 N19 C20 C21 -179.1(2) . . . . ?
Sb1 N34 C35 C24 -7.3(5) . . . . ?
Sb1 N34 C35 C36 176.3(2) . . . . ?
Sb1 N34 C38 C41 8.6(5) . . . . ?
Sb1 N34 C38 C37 -175.8(2) . . . . ?
Sb10 O109 C110 C115 151.3(2) . . . . ?
Sb10 O109 C110 C111 -31.7(4) . . . . ?
Sb10 O145 C146 C151 -40.1(4) . . . . ?
Sb10 O145 C146 C147 143.2(3) . . . . ?
Sb10 N140 C144 C143 -170.9(2) . . . . ?
Sb10 N140 C144 C130 13.7(4) . . . . ?
Sb10 N140 C141 C151 -15.8(4) . . . . ?
Sb10 N140 C141 C142 171.3(2) . . . . ?
Sb10 N125 C129 C130 11.5(5) . . . . ?
Sb10 N125 C129 C128 -172.5(2) . . . . ?
Sb10 N125 C126 C111 -14.9(5) . . . . ?
Sb10 N125 C126 C127 172.1(2) . . . . ?
Sb53 O91 C92 C93 37.3(4) . . . . ?
Sb53 O91 C92 C97 -145.8(2) . . . . ?
Sb53 O56 C57 C58 -149.5(2) . . . . ?
Sb53 O56 C57 C62 35.0(4) . . . . ?
Sb53 N86 C90 C93 11.9(5) . . . . ?
Sb53 N86 C90 C89 -174.4(2) . . . . ?
Sb53 N86 C87 C76 -11.4(5) . . . . ?
Sb53 N86 C87 C88 174.3(2) . . . . ?
Sb53 N71 C75 C76 -7.6(5) . . . . ?
Sb53 N71 C75 C74 176.8(2) . . . . ?
Sb53 N71 C72 C62 9.2(5) . . . . ?
Sb53 N71 C72 C73 -176.5(2) . . . . ?
O91 C92 C93 C90 -3.5(5) . . . . ?
O91 C92 C93 C94 179.4(3) . . . . ?
O91 C92 C97 C96 -179.3(3) . . . . ?
O91 C92 C97 C98 1.5(5) . . . . ?
O56 C57 C58 C59 -172.9(3) . . . . ?
O56 C57 C58 C63 5.6(5) . . . . ?
O56 C57 C62 C61 173.2(3) . . . . ?
O56 C57 C62 C72 -8.7(5) . . . . ?
O109 C110 C111 C112 -175.3(3) . . . . ?
O109 C110 C111 C126 11.4(5) . . . . ?
O39 C40 C41 C42 179.3(3) . . . . ?
O39 C40 C41 C38 -3.2(5) . . . . ?
O39 C40 C44 C160 -178.5(3) . . . . ?
O39 C40 C44 C45 3.3(5) . . . . ?
O4 C5 C6 C7 -173.7(3) . . . . ?
O4 C5 C6 C11 5.2(5) . . . . ?
O145 C146 C147 C148 173.2(3) . . . . ?
O145 C146 C147 C152 -10.2(5) . . . . ?
N19 C23 C24 C25 -179.3(3) . . . . ?
N19 C23 C24 C35 1.6(5) . . . . ?
N19 C23 C22 C21 0.6(4) . . . . ?
N19 C20 C21 C22 -1.2(4) . . . . ?
N86 C90 C93 C92 -21.8(5) . . . . ?
N86 C90 C93 C94 155.3(3) . . . . ?
N86 C90 C89 C88 -2.3(4) . . . . ?
N86 C87 C88 C89 2.1(4) . . . . ?
N140 C144 C143 C142 -1.6(4) . . . . ?
N140 C144 C130 C131 177.7(3) . . . . ?
N140 C144 C130 C129 -4.4(5) . . . . ?
N34 C35 C36 C37 0.5(4) . . . . ?
N34 C38 C37 C36 -1.9(4) . . . . ?
N125 C129 C128 C127 -1.6(4) . . . . ?
N125 C126 C127 C128 2.7(4) . . . . ?
N71 C75 C74 C73 0.6(4) . . . . ?
N71 C72 C73 C74 -1.6(4) . . . . ?
C57 C58 C59 C60 -1.1(5) . . . . ?
C57 C58 C63 C64 56.4(4) . . . . ?
C57 C58 C63 C65 -66.0(4) . . . . ?
C57 C58 C63 C66 175.6(3) . . . . ?
C57 C62 C61 C60 0.2(5) . . . . ?
C57 C62 C72 N71 -14.0(6) . . . . ?
C57 C62 C72 C73 172.6(4) . . . . ?
C151 C146 C147 C148 -3.6(5) . . . . ?
C151 C146 C147 C152 173.1(3) . . . . ?
C151 C150 C149 C148 -1.0(5) . . . . ?
C151 C150 C149 C156 -179.3(3) . . . . ?
C23 N19 C20 C10 -173.8(3) . . . . ?
C23 N19 C20 C21 1.5(4) . . . . ?
C23 C24 C25 C26 -85.0(4) . . . . ?
C23 C24 C25 C30 97.3(4) . . . . ?
C23 C24 C35 N34 3.4(6) . . . . ?
C23 C24 C35 C36 179.1(3) . . . . ?
C146 C151 C141 N140 15.5(5) . . . . ?
C146 C151 C141 C142 -173.1(3) . . . . ?
C146 C151 C150 C149 -0.9(5) . . . . ?
C146 C147 C148 C149 1.6(6) . . . . ?
C146 C147 C152 C153 -61.2(5) . . . . ?
C146 C147 C152 C155 60.9(5) . . . . ?
C146 C147 C152 C154 -179.1(4) . . . . ?
C90 N86 C87 C76 170.8(3) . . . . ?
C90 N86 C87 C88 -3.5(4) . . . . ?
C90 C93 C94 C95 -177.9(3) . . . . ?
C58 C57 C62 C61 -2.2(5) . . . . ?
C58 C57 C62 C72 175.9(3) . . . . ?
C58 C59 C60 C61 -0.7(5) . . . . ?
C58 C59 C60 C67 -178.3(3) . . . . ?
C76 C87 C88 C89 -172.0(3) . . . . ?
C76 C77 C78 C79 177.7(3) . . . . ?
C76 C77 C78 C83 -1.1(5) . . . . ?
C76 C77 C82 C81 -178.0(3) . . . . ?
C76 C77 C82 C85 1.3(6) . . . . ?
C76 C75 C74 C73 -175.0(4) . . . . ?
C92 C93 C94 C95 -0.6(6) . . . . ?
C92 C97 C98 C101 -60.1(4) . . . . ?
C92 C97 C98 C99 61.1(4) . . . . ?
C92 C97 C98 C100 -179.6(3) . . . . ?
C10 C5 C6 C7 3.4(5) . . . . ?
C10 C5 C6 C11 -177.7(3) . . . . ?
C10 C20 C21 C22 174.1(3) . . . . ?
C10 C9 C8 C7 2.1(5) . . . . ?
C10 C9 C8 C15 -174.1(3) . . . . ?
C5 C10 C20 N19 -7.1(5) . . . . ?
C5 C10 C20 C21 178.4(3) . . . . ?
C5 C10 C9 C8 -0.1(5) . . . . ?
C5 C6 C11 C14 -65.9(4) . . . . ?
C5 C6 C11 C12 57.4(4) . . . . ?
C5 C6 C11 C13 176.2(3) . . . . ?
C20 N19 C23 C24 177.5(3) . . . . ?
C20 N19 C23 C22 -1.3(3) . . . . ?
C20 C10 C5 O4 -7.4(5) . . . . ?
C20 C10 C5 C6 175.6(3) . . . . ?
C20 C10 C9 C8 -178.6(3) . . . . ?
C20 C21 C22 C23 0.3(4) . . . . ?
C87 N86 C90 C93 -170.1(3) . . . . ?
C87 N86 C90 C89 3.6(4) . . . . ?
C87 C76 C77 C78 86.4(4) . . . . ?
C87 C76 C77 C82 -93.7(4) . . . . ?
C87 C76 C75 N71 3.8(5) . . . . ?
C87 C76 C75 C74 178.5(3) . . . . ?
C87 C88 C89 C90 0.1(4) . . . . ?
C59 C58 C63 C64 -125.0(3) . . . . ?
C59 C58 C63 C65 112.5(4) . . . . ?
C59 C58 C63 C66 -5.8(5) . . . . ?
C59 C60 C67 C70 -6.5(5) . . . . ?
C59 C60 C67 C68 113.2(4) . . . . ?
C59 C60 C67 C69 -126.5(4) . . . . ?
C24 C23 C22 C21 -178.2(3) . . . . ?
C24 C25 C26 C27 -177.4(3) . . . . ?
C24 C25 C26 C31 3.5(5) . . . . ?
C24 C25 C30 C29 176.6(3) . . . . ?
C24 C25 C30 C33 -4.5(5) . . . . ?
C24 C35 C36 C37 -175.8(3) . . . . ?
C144 N140 C141 C151 170.6(3) . . . . ?
C144 N140 C141 C142 -2.3(3) . . . . ?
C144 C130 C131 C132 98.3(4) . . . . ?
C144 C130 C131 C136 -83.7(4) . . . . ?
C144 C130 C129 N125 -9.2(6) . . . . ?
C144 C130 C129 C128 175.6(4) . . . . ?
C40 C41 C38 N34 -13.2(5) . . . . ?
C40 C41 C38 C37 172.1(3) . . . . ?
C40 C44 C45 C46 59.6(4) . . . . ?
C40 C44 C45 C48 177.7(3) . . . . ?
C40 C44 C45 C47 -63.8(4) . . . . ?
C115 C110 C111 C112 1.6(5) . . . . ?
C115 C110 C111 C126 -171.7(3) . . . . ?
C115 C114 C113 C112 0.7(6) . . . . ?
C115 C114 C113 C121 179.9(3) . . . . ?
C77 C76 C87 N86 -172.7(3) . . . . ?
C77 C76 C87 C88 0.4(5) . . . . ?
C77 C76 C75 N71 -177.4(3) . . . . ?
C77 C76 C75 C74 -2.7(5) . . . . ?
C77 C78 C79 C80 1.0(5) . . . . ?
C77 C82 C81 C80 -0.4(6) . . . . ?
C62 C57 C58 C59 2.6(5) . . . . ?
C62 C57 C58 C63 -178.9(3) . . . . ?
C62 C61 C60 C59 1.2(5) . . . . ?
C62 C61 C60 C67 178.8(3) . . . . ?
C62 C72 C73 C74 172.6(4) . . . . ?
C143 C142 C141 N140 1.3(4) . . . . ?
C143 C142 C141 C151 -171.3(3) . . . . ?
C143 C144 C130 C131 3.4(5) . . . . ?
C143 C144 C130 C129 -178.8(3) . . . . ?
C130 C144 C143 C142 173.6(3) . . . . ?
C130 C131 C136 C135 -177.4(3) . . . . ?
C130 C131 C136 C137 2.3(5) . . . . ?
C130 C129 C128 C127 174.3(4) . . . . ?
C141 N140 C144 C143 2.5(3) . . . . ?
C141 N140 C144 C130 -172.9(3) . . . . ?
C141 C151 C146 O145 13.3(5) . . . . ?
C141 C151 C146 C147 -170.1(3) . . . . ?
C141 C151 C150 C149 172.9(3) . . . . ?
C141 C142 C143 C144 0.2(4) . . . . ?
C25 C24 C35 N34 -175.7(3) . . . . ?
C25 C24 C35 C36 -0.1(5) . . . . ?
C25 C26 C27 C28 1.3(5) . . . . ?
C25 C30 C29 C28 0.4(6) . . . . ?
C160 C43 C42 C41 -0.7(5) . . . . ?
C160 C43 C49 C50 -61.5(4) . . . . ?
C160 C43 C49 C52 57.9(4) . . . . ?
C160 C43 C49 C51 177.3(3) . . . . ?
C160 C44 C45 C46 -118.5(3) . . . . ?
C160 C44 C45 C48 -0.4(5) . . . . ?
C160 C44 C45 C47 118.1(3) . . . . ?
C9 C10 C5 O4 174.2(3) . . . . ?
C9 C10 C5 C6 -2.8(5) . . . . ?
C9 C10 C20 N19 171.3(3) . . . . ?
C9 C10 C20 C21 -3.2(5) . . . . ?
C9 C8 C15 C16 109.2(4) . . . . ?
C9 C8 C15 C18 -130.6(4) . . . . ?
C9 C8 C15 C17 -9.5(6) . . . . ?
C26 C25 C30 C29 -1.1(5) . . . . ?
C26 C25 C30 C33 177.7(3) . . . . ?
C26 C27 C28 C29 -2.0(6) . . . . ?
C26 C27 C28 C32 179.2(3) . . . . ?
C150 C151 C146 O145 -173.4(3) . . . . ?
C150 C151 C146 C147 3.2(5) . . . . ?
C150 C151 C141 N140 -157.9(3) . . . . ?
C150 C151 C141 C142 13.5(5) . . . . ?
C150 C149 C148 C147 0.6(6) . . . . ?
C150 C149 C156 C159 4.5(5) . . . . ?
C150 C149 C156 C157 125.8(4) . . . . ?
C150 C149 C156 C158 -114.0(4) . . . . ?
C110 C115 C114 C113 0.2(5) . . . . ?
C110 C115 C116 C119 63.6(4) . . . . ?
C110 C115 C116 C120 -177.2(3) . . . . ?
C110 C115 C116 C118 -59.2(4) . . . . ?
C110 C111 C112 C113 -0.6(5) . . . . ?
C110 C111 C126 N125 12.2(5) . . . . ?
C110 C111 C126 C127 -176.2(4) . . . . ?
C43 C160 C44 C40 -0.2(5) . . . . ?
C43 C160 C44 C45 178.0(3) . . . . ?
C43 C42 C41 C40 -1.8(5) . . . . ?
C43 C42 C41 C38 -179.5(3) . . . . ?
C75 N71 C72 C62 -172.4(3) . . . . ?
C75 N71 C72 C73 2.0(4) . . . . ?
C75 C76 C87 N86 6.0(5) . . . . ?
C75 C76 C87 C88 179.2(3) . . . . ?
C75 C76 C77 C78 -92.4(4) . . . . ?
C75 C76 C77 C82 87.4(4) . . . . ?
C75 C74 C73 C72 0.6(5) . . . . ?
C78 C77 C82 C81 1.8(6) . . . . ?
C78 C77 C82 C85 -178.9(4) . . . . ?
C61 C62 C72 N71 164.1(3) . . . . ?
C61 C62 C72 C73 -9.3(5) . . . . ?
C61 C60 C67 C70 176.1(3) . . . . ?
C61 C60 C67 C68 -64.2(4) . . . . ?
C61 C60 C67 C69 56.0(5) . . . . ?
C93 C90 C89 C88 171.2(3) . . . . ?
C93 C92 C97 C96 -2.4(5) . . . . ?
C93 C92 C97 C98 178.4(3) . . . . ?
C93 C94 C95 C96 -1.4(6) . . . . ?
C93 C94 C95 C102 177.4(4) . . . . ?
C89 C90 C93 C92 165.7(3) . . . . ?
C89 C90 C93 C94 -17.2(5) . . . . ?
C7 C6 C11 C14 113.0(4) . . . . ?
C7 C6 C11 C12 -123.7(3) . . . . ?
C7 C6 C11 C13 -4.9(5) . . . . ?
C7 C8 C15 C16 -66.9(4) . . . . ?
C7 C8 C15 C18 53.3(5) . . . . ?
C7 C8 C15 C17 174.4(4) . . . . ?
C42 C43 C49 C50 121.0(4) . . . . ?
C42 C43 C49 C52 -119.6(4) . . . . ?
C42 C43 C49 C51 -0.2(5) . . . . ?
C42 C41 C38 N34 164.4(3) . . . . ?
C42 C41 C38 C37 -10.3(5) . . . . ?
C41 C40 C44 C160 -2.4(5) . . . . ?
C41 C40 C44 C45 179.4(3) . . . . ?
C41 C38 C37 C36 173.5(3) . . . . ?
C132 C131 C136 C135 0.6(5) . . . . ?
C132 C131 C136 C137 -179.8(3) . . . . ?
C132 C133 C134 C135 0.8(5) . . . . ?
C132 C133 C134 C138 -178.8(3) . . . . ?
C35 N34 C38 C41 -173.3(3) . . . . ?
C35 N34 C38 C37 2.2(4) . . . . ?
C35 C24 C25 C26 94.2(4) . . . . ?
C35 C24 C25 C30 -83.5(4) . . . . ?
C44 C40 C41 C42 3.3(5) . . . . ?
C44 C40 C41 C38 -179.1(3) . . . . ?
C44 C160 C43 C42 1.7(5) . . . . ?
C44 C160 C43 C49 -176.0(3) . . . . ?
C38 N34 C35 C24 174.7(3) . . . . ?
C38 N34 C35 C36 -1.7(4) . . . . ?
C38 C37 C36 C35 0.8(4) . . . . ?
C131 C130 C129 N125 168.7(3) . . . . ?
C131 C130 C129 C128 -6.5(5) . . . . ?
C131 C132 C133 C134 -1.5(5) . . . . ?
C131 C136 C135 C134 -1.3(5) . . . . ?
C6 C7 C8 C9 -1.4(5) . . . . ?
C6 C7 C8 C15 175.0(3) . . . . ?
C63 C58 C59 C60 -179.7(3) . . . . ?
C22 C23 C24 C25 -0.7(5) . . . . ?
C22 C23 C24 C35 -179.8(3) . . . . ?
C114 C115 C110 O109 175.7(3) . . . . ?
C114 C115 C110 C111 -1.4(5) . . . . ?
C114 C115 C116 C119 -117.3(4) . . . . ?
C114 C115 C116 C120 1.8(5) . . . . ?
C114 C115 C116 C118 119.9(4) . . . . ?
C114 C113 C121 C124 -177.8(4) . . . . ?
C114 C113 C121 C123 61.9(5) . . . . ?
C114 C113 C121 C122 -57.1(5) . . . . ?
C111 C112 C113 C114 -0.5(5) . . . . ?
C111 C112 C113 C121 -179.6(3) . . . . ?
C111 C126 C127 C128 -169.9(4) . . . . ?
C129 N125 C126 C111 169.2(3) . . . . ?
C129 N125 C126 C127 -3.8(4) . . . . ?
C129 C130 C131 C132 -79.8(4) . . . . ?
C129 C130 C131 C136 98.2(4) . . . . ?
C129 C128 C127 C126 -0.6(5) . . . . ?
C30 C25 C26 C27 0.3(5) . . . . ?
C30 C25 C26 C31 -178.8(3) . . . . ?
C30 C29 C28 C27 1.1(6) . . . . ?
C30 C29 C28 C32 179.9(4) . . . . ?
C112 C111 C126 N125 -161.2(3) . . . . ?
C112 C111 C126 C127 10.4(5) . . . . ?
C112 C113 C121 C124 1.3(5) . . . . ?
C112 C113 C121 C123 -119.0(4) . . . . ?
C112 C113 C121 C122 122.0(4) . . . . ?
C8 C7 C6 C5 -1.3(5) . . . . ?
C8 C7 C6 C11 179.7(3) . . . . ?
C96 C97 C98 C101 120.8(4) . . . . ?
C96 C97 C98 C99 -118.0(4) . . . . ?
C96 C97 C98 C100 1.2(5) . . . . ?
C96 C95 C102 C105 -64.1(5) . . . . ?
C96 C95 C102 C104 55.3(5) . . . . ?
C96 C95 C102 C103 175.9(4) . . . . ?
C72 N71 C75 C76 174.0(3) . . . . ?
C72 N71 C75 C74 -1.6(4) . . . . ?
C72 C62 C61 C60 -178.0(3) . . . . ?
C126 N125 C129 C130 -172.6(3) . . . . ?
C126 N125 C129 C128 3.3(4) . . . . ?
C126 C111 C112 C113 173.1(3) . . . . ?
C94 C95 C102 C105 117.1(4) . . . . ?
C94 C95 C102 C104 -123.5(4) . . . . ?
C94 C95 C102 C103 -3.0(6) . . . . ?
C97 C92 C93 C90 179.7(3) . . . . ?
C97 C92 C93 C94 2.6(5) . . . . ?
C97 C96 C95 C94 1.6(6) . . . . ?
C97 C96 C95 C102 -177.3(3) . . . . ?
C148 C147 C152 C153 115.4(4) . . . . ?
C148 C147 C152 C155 -122.5(4) . . . . ?
C148 C147 C152 C154 -2.6(6) . . . . ?
C148 C149 C156 C159 -173.9(4) . . . . ?
C148 C149 C156 C157 -52.5(5) . . . . ?
C148 C149 C156 C158 67.7(5) . . . . ?
C79 C80 C81 C82 -0.8(6) . . . . ?
C95 C96 C97 C92 0.3(5) . . . . ?
C95 C96 C97 C98 179.5(3) . . . . ?
C133 C132 C131 C130 178.7(3) . . . . ?
C133 C132 C131 C136 0.8(5) . . . . ?
C136 C135 C134 C133 0.6(5) . . . . ?
C136 C135 C134 C138 -179.7(3) . . . . ?
C139 C132 C131 C130 -0.4(5) . . . . ?
C139 C132 C131 C136 -178.4(3) . . . . ?
C139 C132 C133 C134 177.7(3) . . . . ?
C82 C77 C78 C79 -2.1(5) . . . . ?
C82 C77 C78 C83 179.0(4) . . . . ?
C116 C115 C110 O109 -5.2(5) . . . . ?
C116 C115 C110 C111 177.7(3) . . . . ?
C116 C115 C114 C113 -178.9(3) . . . . ?
C49 C43 C42 C41 176.8(3) . . . . ?
C33 C30 C29 C28 -178.5(4) . . . . ?
C31 C26 C27 C28 -179.6(3) . . . . ?
C81 C80 C79 C78 0.4(5) . . . . ?
C84 C80 C79 C78 179.2(3) . . . . ?
C84 C80 C81 C82 -179.5(4) . . . . ?
C156 C149 C148 C147 179.0(3) . . . . ?
C137 C136 C135 C134 179.0(3) . . . . ?
C152 C147 C148 C149 -175.1(4) . . . . ?
C83 C78 C79 C80 179.8(4) . . . . ?
C85 C82 C81 C80 -179.7(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.727
_oxdiff_exptl_absorpt_empirical_full_min 0.642
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane'
