# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_Sbtol3
_database_code_depnum_ccdc_archive 'CCDC 2265793'
loop_
_audit_author_name
_audit_author_address
'Timothy Johnstone'
;University of California, Santa Cruz
United States of America
;
_audit_update_record             
;
2023-05-27 deposited with the CCDC.	2023-06-20 downloaded from the CCDC.
;
_audit_creation_date             2022-12-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H21 Sb'
_chemical_formula_sum            'C21 H21 Sb'
_chemical_formula_weight         395.13
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Sb C21 H21'
_chemical_oxdiff_usercomment     BLK0489
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   12.6758(3)
_cell_length_b                   12.6758(3)
_cell_length_c                   19.8058(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     2755.96(14)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    4743
_cell_measurement_temperature    101.1(6)
_cell_measurement_theta_max      76.7580
_cell_measurement_theta_min      4.5810
_shelx_estimated_absorpt_T_max   0.649
_shelx_estimated_absorpt_T_min   0.190
_exptl_absorpt_coefficient_mu    11.844
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.240
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.75a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1188
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -1 0 0.0801
1 0 2 0.0997
-1 0 -2 0.1091
1 -1 -1 0.0126
-1 2 0 0.0631
-2 1 2 0.0544
2 -1 -2 0.0056
-2 2 1 0.0380
2 -2 -1 0.0010
-2 1 0 0.0648
1 -2 2 0.0621
-1 1 -2 0.1051
0 -1 -1 0.0731
0 1 -2 0.0668
1 -2 -2 0.0358
0 1 -1 0.0481
-1 1 2 0.0724
-1 2 1 0.0770
2 -1 1 0.0578

_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0002 -0.9995 0.0010 -0.0063 -0.0385 -0.1347
1.0003 0.0002 1.9967 0.0491 0.2031 0.0128
-1.0003 -0.0002 -1.9967 -0.0491 -0.2031 -0.0128
1.0002 -0.9992 -0.9997 -0.1396 0.0275 -0.0742
-0.9999 1.9987 -0.0004 0.0851 -0.0347 0.2248
-2.0007 0.9989 2.0003 0.2729 -0.0936 0.0136
2.0007 -0.9989 -2.0003 -0.2729 0.0936 -0.0136
-2.0004 1.9984 1.0003 0.2184 -0.1008 0.1643
2.0004 -1.9984 -1.0003 -0.2184 0.1008 -0.1643
-2.0006 0.9989 0.0021 0.1513 -0.1850 0.0454
0.9999 -1.9988 1.9986 0.0365 0.1262 -0.2566
-1.0001 0.9993 -1.9976 -0.0428 -0.1646 0.1219
-0.0002 -0.9995 -0.9981 -0.0671 -0.0842 -0.1188
0.0003 0.9995 -1.9992 -0.1153 -0.0529 0.1665
1.0000 -1.9987 -1.9978 -0.2067 -0.0567 -0.1930
0.0003 0.9995 -1.0001 -0.0545 -0.0072 0.1506
-1.0003 0.9992 1.9988 0.2004 0.0182 0.0583
-1.0000 1.9987 0.9987 0.1459 0.0110 0.2089
2.0006 -0.9990 0.9970 -0.0905 0.2307 -0.0613

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0296
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            6111
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.036
_diffrn_reflns_theta_max         67.036
_diffrn_reflns_theta_min         4.605
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      101.1(6)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_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     52.00 111.00   0.50    0.15    --  105.75-125.00-180.00  118
  2  ω      9.00  81.00   0.50    0.05    --   49.41-100.00-109.00  144
  3  ω    -30.00   7.00   0.50    0.05    --  -49.41  38.00  60.00   74
  4  ω    -74.00 -41.00   0.50    0.15    --  -84.25 100.00  -4.00   66
  5  ω    -42.00 -15.00   0.50    0.15    --  -84.25  38.00 -60.00   54
  6  ω    -16.00  24.00   0.50    0.05    --  -49.41  19.00 -90.00   80
  7  ω     82.00 114.00   0.50    0.05    --   49.41  57.00-180.00   64
  8  ω     86.00 111.00   0.50    0.05    --   49.41  57.00 -90.00   50
  9  ω    131.00 174.00   0.50    0.15    --  105.75  19.00-180.00   86
 10  ω    136.00 178.00   0.50    0.15    --  105.75  21.00 -15.00   84
 11  ω    103.00 131.00   0.50    0.15    --  105.75  21.00 -15.00   56
 12  ω    104.00 137.00   0.50    0.15    --  105.75  38.00 120.00   66
 13  ω     41.00  66.00   0.50    0.15    --  105.75 -57.00 150.00   50
 14  ω     35.00  70.00   0.50    0.15    --  105.75 -67.00  70.00   70
 15  ω     57.00 105.00   0.50    0.15    --  105.75 -77.00  60.00   96
 16  ω     39.00  67.00   0.50    0.15    --  105.75 -57.00  30.00   56
 17  ω     37.00 105.00   0.50    0.15    --  105.75 -77.00 -30.00  136
 18  ω     34.00  61.00   0.50    0.15    --  105.75 -57.00   0.00   54
 19  ω     64.00 104.00   0.50    0.15    --  105.75 -77.00 -90.00   80
 20  ω     39.00  88.00   0.50    0.15    --  105.75 -71.00-127.00   98
 21  ω     34.00  62.00   0.50    0.15    --  105.75 -57.00-180.00   56
 22  ω   -151.00 -87.00   0.50    0.15    --  -84.25 -21.00 177.00  128
 23  ω   -119.00 -93.00   0.50    0.05    --  -49.41 -57.00 150.00   52
 24  ω   -121.00 -94.00   0.50    0.05    --  -49.41-125.00 -30.00   54
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0723695000
_diffrn_orient_matrix_UB_12      0.0063683000
_diffrn_orient_matrix_UB_13      0.0608456000
_diffrn_orient_matrix_UB_21      0.1117400000
_diffrn_orient_matrix_UB_22      0.0385266000
_diffrn_orient_matrix_UB_23      0.0457490000
_diffrn_orient_matrix_UB_31      0.0445612000
_diffrn_orient_matrix_UB_32      0.1347665000
_diffrn_orient_matrix_UB_33      -0.0159169000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1071
_reflns_number_total             1099
_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 1.171.42.75a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.75a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.75a (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         0.460
_refine_diff_density_min         -0.223
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     68
_refine_ls_number_reflns         1099
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0216
_refine_ls_R_factor_gt           0.0211
_refine_ls_restrained_S_all      1.098
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0272P)²+2.2207P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0541
_refine_ls_wR_factor_ref         0.0543
_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:
 C12(H12), C13(H13), C15(H15), C16(H16)
2.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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 0.666667 0.333333 0.52350(2) 0.02902(12) Uani 1 3 d S T P . .
C11 C 0.5025(2) 0.2868(2) 0.46921(11) 0.0269(5) Uani 1 1 d . . . . .
C12 C 0.4249(2) 0.3260(2) 0.49424(13) 0.0325(5) Uani 1 1 d . . . . .
H12 H 0.447538 0.375407 0.533585 0.039 Uiso 1 1 calc R U . . .
C13 C 0.3152(2) 0.2938(2) 0.46248(14) 0.0354(5) Uani 1 1 d . . . . .
H13 H 0.263921 0.321713 0.480282 0.043 Uiso 1 1 calc R U . . .
C14 C 0.2794(2) 0.2210(2) 0.40480(14) 0.0335(5) Uani 1 1 d . . . . .
C15 C 0.3567(2) 0.1818(2) 0.38003(13) 0.0323(5) Uani 1 1 d . . . . .
H15 H 0.333927 0.131922 0.340860 0.039 Uiso 1 1 calc R U . . .
C16 C 0.4665(2) 0.2143(2) 0.41158(12) 0.0301(5) Uani 1 1 d . . . . .
H16 H 0.517955 0.186751 0.393559 0.036 Uiso 1 1 calc R U . . .
C17 C 0.1610(3) 0.1870(3) 0.37019(19) 0.0505(7) Uani 1 1 d . . . . .
H17A H 0.175499 0.245662 0.334099 0.076 Uiso 1 1 calc R U . . .
H17B H 0.103753 0.188116 0.403056 0.076 Uiso 1 1 calc R U . . .
H17C H 0.126579 0.105194 0.350867 0.076 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 C11 2.147(2) 2_655 ?
Sb1 C11 2.147(2) 3_665 ?
Sb1 C11 2.147(2) . ?
C11 C12 1.395(3) . ?
C11 C16 1.391(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.389(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.394(4) . ?
C14 C15 1.391(3) . ?
C14 C17 1.504(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.387(4) . ?
C16 H16 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 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
C11 Sb1 C11 97.11(8) 2_655 . ?
C11 Sb1 C11 97.11(8) 2_655 3_665 ?
C11 Sb1 C11 97.11(8) . 3_665 ?
C12 C11 Sb1 118.87(17) . . ?
C16 C11 Sb1 123.02(17) . . ?
C16 C11 C12 118.0(2) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 C11 121.0(2) . . ?
C13 C12 H12 119.5 . . ?
C12 C13 H13 119.6 . . ?
C12 C13 C14 120.8(2) . . ?
C14 C13 H13 119.6 . . ?
C13 C14 C17 120.7(2) . . ?
C15 C14 C13 118.1(2) . . ?
C15 C14 C17 121.2(2) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 C14 121.1(2) . . ?
C16 C15 H15 119.5 . . ?
C11 C16 H16 119.5 . . ?
C15 C16 C11 121.0(2) . . ?
C15 C16 H16 119.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 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 C11 C12 C13 -177.26(18) . . . . ?
Sb1 C11 C16 C15 176.87(17) . . . . ?
C11 C12 C13 C14 0.2(4) . . . . ?
C12 C11 C16 C15 -0.2(3) . . . . ?
C12 C13 C14 C15 -0.1(4) . . . . ?
C12 C13 C14 C17 -179.5(2) . . . . ?
C13 C14 C15 C16 -0.2(4) . . . . ?
C14 C15 C16 C11 0.3(4) . . . . ?
C16 C11 C12 C13 -0.1(3) . . . . ?
C17 C14 C15 C16 179.3(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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.614
_oxdiff_exptl_absorpt_empirical_full_min 0.654
####################################################################### 
# 
# 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_ESI1
_database_code_depnum_ccdc_archive 'CCDC 2265800'
loop_
_audit_author_name
_audit_author_address
'Timothy Johnstone'
;University of California, Santa Cruz
United States of America
;
_audit_update_record             
;
2023-05-27 deposited with the CCDC.	2023-06-20 downloaded from the CCDC.
;
_audit_creation_date             2023-05-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H44 O5 Sb2'
_chemical_formula_sum            'C36 H44 O5 Sb2'
_chemical_formula_weight         800.21
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Sb2 O5 C36 H44'
_chemical_oxdiff_usercomment     BLK0533
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   12.17550(10)
_cell_length_b                   13.5809(2)
_cell_length_c                   20.6690(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3417.71(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    36758
_cell_measurement_temperature    102(2)
_cell_measurement_theta_max      77.0010
_cell_measurement_theta_min      4.1770
_shelx_estimated_absorpt_T_max   0.566
_shelx_estimated_absorpt_T_min   0.308
_exptl_absorpt_coefficient_mu    12.849
_exptl_absorpt_correction_T_max  0.608
_exptl_absorpt_correction_T_min  0.215
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.75a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1608
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 -1 2 0.0642
-2 1 -2 0.0443
0 0 1 0.0303
-1 0 2 0.0319
0 1 2 0.0202
1 -1 -2 0.0387
0 1 1 0.0191
0 -2 -1 0.0305
1 -1 -1 0.0390
2 0 -1 0.0508
-2 0 1 0.0508
-1 -1 0 0.0519
0 1 0 0.0245
-2 1 1 0.0422
2 1 -2 0.0436
0 -2 1 0.0301
0 -1 2 0.0328
-2 2 1 0.0334
0 1 -1 0.0228
1 -2 -1 0.0349
0 -1 -1 0.0291
0 0 -1 0.0220
1 0 -1 0.0398

_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
2.0008 -0.9994 1.9993 0.2491 0.0393 0.1884
-2.0008 0.9994 -1.9993 -0.2491 -0.0393 -0.1884
0.0006 0.0003 0.9992 0.0676 -0.0157 -0.0271
-0.9982 0.0003 1.9979 0.0925 -0.0120 -0.1715
0.0004 1.0011 1.9987 0.1068 -0.1411 -0.0619
0.9991 -1.0008 -1.9981 -0.0640 0.1216 0.1793
-0.0002 1.0008 0.9994 0.0392 -0.1253 -0.0349
0.0010 -2.0014 -0.9997 -0.0107 0.2350 0.0427
0.9996 -1.0005 -0.9989 0.0036 0.1059 0.1522
1.9983 0.0003 -0.9981 0.0179 -0.0231 0.2618
-1.9983 -0.0003 0.9981 -0.0179 0.0231 -0.2618
-0.9986 -1.0008 -0.0008 -0.0143 0.1290 -0.1096
-0.0008 1.0005 0.0002 -0.0284 -0.1096 -0.0078
-1.9991 1.0002 0.9983 -0.0463 -0.0865 -0.2696
1.9969 1.0006 -1.9971 -0.0782 -0.1170 0.2811
0.0022 -2.0008 0.9987 0.1245 0.2035 -0.0114
0.0020 -1.0000 1.9982 0.1636 0.0782 -0.0463
-1.9999 2.0008 0.9985 -0.0748 -0.1961 -0.2774
-0.0014 1.0003 -0.9990 -0.0960 -0.0939 0.0193
0.9697 -2.0145 -0.9806 0.0323 0.2173 0.1560
-0.0160 -1.0003 -0.9873 -0.0390 0.1254 0.0326
-0.0014 -0.0032 -0.9985 -0.0675 0.0160 0.0270
0.9989 -0.0202 -1.0031 -0.0246 -0.0014 0.1447

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_av_unetI/netI     0.0303
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            51012
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.563
_diffrn_reflns_theta_min         3.895
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      102(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     39.00  66.00   0.50    0.91    --  105.75 -57.00-180.00   54
  2  ω     40.00 103.00   0.50    0.91    --  105.75 -77.00-120.00  126
  3  ω     34.00  65.00   0.50    0.91    --  105.75 -57.00 -60.00   62
  4  ω     34.00  59.00   0.50    0.91    --  105.75 -57.00   0.00   50
  5  ω     38.00  67.00   0.50    0.91    --  105.75 -57.00  30.00   58
  6  ω     38.00  63.00   0.50    0.91    --  105.75 -57.00-120.00   50
  7  ω     38.00  93.00   0.50    0.23    --   49.41-125.00-180.00  110
  8  ω     41.00  66.00   0.50    0.23    --   49.41-127.00-142.00   50
  9  ω     61.00 112.00   0.50    0.91    --  105.75-127.00-142.00  102
 10  ω     37.00 107.00   0.50    0.91    --  105.75-125.00-180.00  140
 11  ω     40.00  65.00   0.50    0.91    --  105.75-125.00 -90.00   50
 12  ω     42.00  67.00   0.50    0.91    --  105.75 -99.00-120.00   50
 13  ω     79.00 105.00   0.50    0.91    --  105.75 -99.00-120.00   52
 14  ω     71.00 105.00   0.50    0.91    --  105.75-125.00 -90.00   68
 15  ω     54.00 107.00   0.50    0.23    --   49.41-145.00  49.00  106
 16  ω     39.00  66.00   0.50    0.91    --  105.75 -99.00 120.00   54
 17  ω     94.00 125.00   0.50    0.91    --  105.75-145.00  49.00   62
 18  ω     37.00 106.00   0.50    0.91    --  105.75 -99.00  60.00  138
 19  ω     37.00 106.00   0.50    0.91    --  105.75 -99.00  30.00  138
 20  ω     79.00 104.00   0.50    0.91    --  105.75 -99.00 -60.00   50
 21  ω     40.00  65.00   0.50    0.91    --  105.75 -99.00 -60.00   50
 22  ω     37.00 106.00   0.50    0.91    --  105.75 -99.00-180.00  138
 23  ω    124.00 172.00   0.50    0.91    --  105.75  19.00  60.00   96
 24  ω    101.00 159.00   0.50    0.91    --  105.75  38.00  30.00  116
 25  ω    107.00 176.00   0.50    0.91    --  105.75  38.00 150.00  138
 26  ω     83.00 120.00   0.50    0.23    --   49.41  57.00  30.00   74
 27  ω    107.00 150.00   0.50    0.91    --  105.75  77.00-150.00   86
 28  ω     97.00 175.00   0.50    0.91    --  105.75 125.00-120.00  156
 29  ω    112.00 138.00   0.50    0.91    --  105.75 127.00 -66.00   52
 30  ω     84.00 137.00   0.50    0.91    --  105.75 145.00 101.00  106
 31  ω    -61.00 -23.00   0.50    0.91    --  -84.25 145.00 101.00   76
 32  ω    -86.00 -61.00   0.50    0.23    --  -49.41 145.00 101.00   50
 33  ω    -72.00 -45.00   0.50    0.91    --  -84.25 127.00 -66.00   54
 34  ω    -70.00 -45.00   0.50    0.23    --  -49.41 127.00 -66.00   50
 35  ω    -39.00 -14.00   0.50    0.91    --  -84.25  38.00-120.00   50
 36  ω    -41.00 -16.00   0.50    0.91    --  -84.25  38.00 -60.00   50
 37  ω    -42.00 -15.00   0.50    0.91    --  -84.25  38.00   0.00   54
 38  ω    -41.00 -15.00   0.50    0.91    --  -84.25  38.00  60.00   52
 39  ω    -40.00 -14.00   0.50    0.91    --  -84.25  38.00  90.00   52
 40  ω    -40.00 -13.00   0.50    0.91    --  -84.25  38.00 150.00   54
 41  ω    -39.00 -14.00   0.50    0.91    --  -84.25  38.00 -30.00   50
 42  ω   -121.00 -84.00   0.50    0.23    --  -49.41 -57.00 -90.00   74
 43  ω   -115.00 -82.00   0.50    0.23    --  -49.41 -57.00-150.00   66
 44  ω   -120.00 -82.00   0.50    0.23    --  -49.41 -57.00-180.00   76
 45  ω   -119.00 -83.00   0.50    0.23    --  -49.41 -57.00-120.00   72
 46  ω   -111.00 -83.00   0.50    0.23    --  -49.41 -57.00 -60.00   56
 47  ω   -121.00 -87.00   0.50    0.23    --  -49.41 -57.00 150.00   68
 48  ω   -131.00-106.00   0.50    0.91    --  -84.25-145.00  49.00   50
 49  ω   -131.00-100.00   0.50    0.91    --  -84.25 -99.00  60.00   62
 50  ω   -154.00-118.00   0.50    0.91    --  -84.25 -99.00-120.00   72
 51  ω   -116.00 -90.00   0.50    0.91    --  -84.25-127.00-142.00   52
 52  ω   -118.00 -93.00   0.50    0.23    --  -49.41-125.00 -90.00   50
 53  ω   -119.00 -74.00   0.50    0.23    --  -49.41-127.00-142.00   90
 54  ω   -108.00 -83.00   0.50    0.23    --  -49.41-145.00  49.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0427328000
_diffrn_orient_matrix_UB_12      -0.0284051000
_diffrn_orient_matrix_UB_13      0.0676326000
_diffrn_orient_matrix_UB_21      -0.0193978000
_diffrn_orient_matrix_UB_22      -0.1095675000
_diffrn_orient_matrix_UB_23      -0.0156911000
_diffrn_orient_matrix_UB_31      0.1174621000
_diffrn_orient_matrix_UB_32      -0.0077012000
_diffrn_orient_matrix_UB_33      -0.0271477000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.770
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.963
_reflns_number_gt                6824
_reflns_number_total             7095
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.75a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.75a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.75a (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         1.475
_refine_diff_density_min         -0.699
_refine_diff_density_rms         0.100
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   -0.015(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         7095
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0325
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0471P)²+4.4568P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0864
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 1.015(9)
 -0.015(9)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Ternary CH refined with riding coordinates:
 C5(H5), C6(H6), C2(H2), C1(H1)
3.b Aromatic/amide H refined with riding coordinates:
 C22(H22), C13(H13), C35(H35), C36(H36), C12(H12), C15(H15), C46(H46),
 C33(H33), C45(H45), C16(H16), C32(H32), C23(H23), C42(H42), C25(H25), C26(H26),
  C43(H43)
3.c Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C8(H8A,H8B,H8C), C3(H3A,H3B,H3C), C27(H27A,H27B,H27C),
 C17(H17A,H17B,H17C), C7(H7A,H7B,H7C), C47(H47A,H47B,H47C), C37(H37A,H37B,H37C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.30025(3) 0.55214(3) 0.54501(2) 0.03117(11) Uani 1 1 d . . . . .
Sb2 Sb 0.40363(3) 0.39600(3) 0.63112(2) 0.03177(11) Uani 1 1 d . . . . .
O11 O 0.2880(4) 0.6805(3) 0.5900(2) 0.0350(9) Uani 1 1 d . . . . .
O22 O 0.2613(3) 0.4789(3) 0.6439(2) 0.0333(10) Uani 1 1 d . . . . .
O21 O 0.4319(3) 0.4449(4) 0.7204(2) 0.0349(9) Uani 1 1 d . . . . .
O12 O 0.4495(3) 0.5510(4) 0.5948(2) 0.0334(9) Uani 1 1 d . . . . .
O31 O 0.3467(3) 0.4121(3) 0.5422(2) 0.0350(9) Uani 1 1 d . . . . .
C41 C 0.5684(5) 0.3525(5) 0.6136(3) 0.0329(13) Uani 1 1 d . . . . .
C11 C 0.3714(4) 0.6015(5) 0.4570(3) 0.0321(12) Uani 1 1 d . . . . .
C21 C 0.1298(5) 0.5409(5) 0.5258(3) 0.0321(13) Uani 1 1 d . . . . .
C31 C 0.3284(5) 0.2612(5) 0.6559(3) 0.0327(13) Uani 1 1 d . . . . .
C22 C 0.0910(6) 0.4636(6) 0.4892(4) 0.0440(16) Uani 1 1 d . . . . .
H22 H 0.140277 0.414498 0.473963 0.053 Uiso 1 1 calc R U . . .
C5 C 0.3318(5) 0.4645(5) 0.7531(3) 0.0364(14) Uani 1 1 d . . . . .
H5 H 0.297687 0.400345 0.765700 0.044 Uiso 1 1 calc R U . . .
C13 C 0.3567(5) 0.6940(5) 0.3582(3) 0.0367(14) Uani 1 1 d . . . . .
H13 H 0.312498 0.728794 0.328031 0.044 Uiso 1 1 calc R U . . .
C35 C 0.1688(5) 0.1575(6) 0.6661(4) 0.0408(15) Uani 1 1 d . . . . .
H35 H 0.093879 0.144849 0.656254 0.049 Uiso 1 1 calc R U . . .
C36 C 0.2166(5) 0.2440(5) 0.6436(3) 0.0382(14) Uani 1 1 d . . . . .
H36 H 0.174248 0.290800 0.620304 0.046 Uiso 1 1 calc R U . . .
C34 C 0.2263(6) 0.0899(5) 0.7019(4) 0.0399(15) Uani 1 1 d . . . . .
C14 C 0.4691(5) 0.6862(5) 0.3479(3) 0.0355(14) Uani 1 1 d . . . . .
C44 C 0.7793(6) 0.2765(6) 0.5967(4) 0.0429(16) Uani 1 1 d . . . . .
C6 C 0.2511(5) 0.5199(5) 0.7073(3) 0.0357(14) Uani 1 1 d . . . . .
H6 H 0.271303 0.591243 0.705949 0.043 Uiso 1 1 calc R U . . .
C12 C 0.3084(5) 0.6518(5) 0.4120(3) 0.0347(13) Uani 1 1 d . . . . .
H12 H 0.231339 0.657309 0.418222 0.042 Uiso 1 1 calc R U . . .
C24 C -0.0940(6) 0.5274(6) 0.4978(4) 0.0430(16) Uani 1 1 d . . . . .
C15 C 0.5314(5) 0.6358(6) 0.3928(4) 0.0417(16) Uani 1 1 d . . . . .
H15 H 0.608440 0.630128 0.386510 0.050 Uiso 1 1 calc R U . . .
C46 C 0.6010(6) 0.3207(6) 0.5542(3) 0.0450(16) Uani 1 1 d . . . . .
H46 H 0.552103 0.324355 0.518401 0.054 Uiso 1 1 calc R U . . .
C33 C 0.3387(6) 0.1052(6) 0.7113(4) 0.0429(15) Uani 1 1 d . . . . .
H33 H 0.381514 0.056856 0.732884 0.051 Uiso 1 1 calc R U . . .
C45 C 0.7074(6) 0.2824(6) 0.5460(4) 0.0479(17) Uani 1 1 d . . . . .
H45 H 0.729828 0.260229 0.504465 0.057 Uiso 1 1 calc R U . . .
C16 C 0.4836(5) 0.5931(6) 0.4470(3) 0.0418(15) Uani 1 1 d . . . . .
H16 H 0.527677 0.558245 0.477268 0.050 Uiso 1 1 calc R U . . .
C4 C 0.5909(6) 0.6659(6) 0.6241(4) 0.0457(16) Uani 1 1 d . . . . .
H4A H 0.636566 0.609289 0.636069 0.069 Uiso 1 1 calc R U . . .
H4B H 0.607842 0.721465 0.652676 0.069 Uiso 1 1 calc R U . . .
H4C H 0.606056 0.684407 0.579186 0.069 Uiso 1 1 calc R U . . .
C32 C 0.3877(5) 0.1906(5) 0.6890(3) 0.0379(14) Uani 1 1 d . . . . .
H32 H 0.463728 0.201008 0.696764 0.046 Uiso 1 1 calc R U . . .
C2 C 0.4698(5) 0.6386(5) 0.6311(3) 0.0359(13) Uani 1 1 d . . . . .
H2 H 0.453084 0.625989 0.677746 0.043 Uiso 1 1 calc R U . . .
C23 C -0.0216(6) 0.4574(7) 0.4743(4) 0.0502(19) Uani 1 1 d . . . . .
H23 H -0.048055 0.405136 0.448006 0.060 Uiso 1 1 calc R U . . .
C42 C 0.6403(6) 0.3478(6) 0.6650(4) 0.0463(18) Uani 1 1 d . . . . .
H42 H 0.618240 0.370912 0.706439 0.056 Uiso 1 1 calc R U . . .
C25 C -0.0536(6) 0.6041(7) 0.5344(4) 0.0499(18) Uani 1 1 d . . . . .
H25 H -0.102223 0.653318 0.550077 0.060 Uiso 1 1 calc R U . . .
C8 C 0.1328(6) 0.5099(6) 0.7286(4) 0.0445(17) Uani 1 1 d . . . . .
H8A H 0.085903 0.550408 0.700734 0.067 Uiso 1 1 calc R U . . .
H8B H 0.125577 0.531922 0.773544 0.067 Uiso 1 1 calc R U . . .
H8C H 0.110189 0.440799 0.725296 0.067 Uiso 1 1 calc R U . . .
C3 C 0.3767(6) 0.8026(6) 0.6554(4) 0.0459(17) Uani 1 1 d . . . . .
H3A H 0.333338 0.855573 0.635800 0.069 Uiso 1 1 calc R U . . .
H3B H 0.448142 0.828542 0.669056 0.069 Uiso 1 1 calc R U . . .
H3C H 0.337579 0.776307 0.693036 0.069 Uiso 1 1 calc R U . . .
C1 C 0.3940(6) 0.7205(5) 0.6058(4) 0.0385(14) Uani 1 1 d . . . . .
H1 H 0.427194 0.749427 0.565880 0.046 Uiso 1 1 calc R U . . .
C26 C 0.0585(5) 0.6100(6) 0.5487(4) 0.0472(17) Uani 1 1 d . . . . .
H26 H 0.085114 0.662638 0.574591 0.057 Uiso 1 1 calc R U . . .
C27 C -0.2164(6) 0.5230(8) 0.4835(5) 0.062(2) Uani 1 1 d . . . . .
H27A H -0.228575 0.486767 0.443125 0.094 Uiso 1 1 calc R U . . .
H27B H -0.245349 0.590015 0.479110 0.094 Uiso 1 1 calc R U . . .
H27C H -0.254280 0.489372 0.519037 0.094 Uiso 1 1 calc R U . . .
C17 C 0.5228(6) 0.7345(6) 0.2905(4) 0.0432(16) Uani 1 1 d . . . . .
H17A H 0.525925 0.687673 0.254434 0.065 Uiso 1 1 calc R U . . .
H17B H 0.597497 0.754799 0.302099 0.065 Uiso 1 1 calc R U . . .
H17C H 0.480080 0.792349 0.277562 0.065 Uiso 1 1 calc R U . . .
C7 C 0.3558(6) 0.5227(6) 0.8141(4) 0.0455(17) Uani 1 1 d . . . . .
H7A H 0.406798 0.485517 0.841411 0.068 Uiso 1 1 calc R U . . .
H7B H 0.287226 0.534125 0.837728 0.068 Uiso 1 1 calc R U . . .
H7C H 0.388871 0.586065 0.802442 0.068 Uiso 1 1 calc R U . . .
C47 C 0.8937(7) 0.2367(8) 0.5876(5) 0.063(2) Uani 1 1 d . . . . .
H47A H 0.892801 0.185079 0.554512 0.094 Uiso 1 1 calc R U . . .
H47B H 0.920011 0.209062 0.628605 0.094 Uiso 1 1 calc R U . . .
H47C H 0.942663 0.290018 0.573949 0.094 Uiso 1 1 calc R U . . .
C43 C 0.7452(6) 0.3092(7) 0.6563(4) 0.0505(19) Uani 1 1 d . . . . .
H43 H 0.793892 0.305307 0.692168 0.061 Uiso 1 1 calc R U . . .
C37 C 0.1714(6) 0.0004(6) 0.7305(4) 0.0499(19) Uani 1 1 d . . . . .
H37A H 0.095066 -0.002866 0.715569 0.075 Uiso 1 1 calc R U . . .
H37B H 0.172794 0.004839 0.777801 0.075 Uiso 1 1 calc R U . . .
H37C H 0.210609 -0.059015 0.716658 0.075 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 O11 1.981(5) . ?
Sb1 O22 2.321(5) . ?
Sb1 O12 2.088(4) . ?
Sb1 O31 1.984(5) . ?
Sb1 C11 2.124(6) . ?
Sb1 C21 2.119(6) . ?
Sb2 O22 2.083(4) . ?
Sb2 O21 1.991(5) . ?
Sb2 O12 2.303(5) . ?
Sb2 O31 1.977(5) . ?
Sb2 C41 2.122(6) . ?
Sb2 C31 2.110(6) . ?
O11 C1 1.438(8) . ?
O22 C6 1.431(8) . ?
O21 C5 1.420(7) . ?
O12 C2 1.428(9) . ?
C41 C46 1.362(10) . ?
C41 C42 1.378(10) . ?
C11 C12 1.384(9) . ?
C11 C16 1.386(9) . ?
C21 C22 1.378(10) . ?
C21 C26 1.364(10) . ?
C31 C36 1.404(9) . ?
C31 C32 1.382(9) . ?
C22 H22 0.9500 . ?
C22 C23 1.409(10) . ?
C5 H5 1.0000 . ?
C5 C6 1.557(10) . ?
C5 C7 1.516(10) . ?
C13 H13 0.9500 . ?
C13 C14 1.389(9) . ?
C13 C12 1.382(9) . ?
C35 H35 0.9500 . ?
C35 C36 1.390(11) . ?
C35 C34 1.372(10) . ?
C36 H36 0.9500 . ?
C34 C33 1.398(10) . ?
C34 C37 1.509(11) . ?
C14 C15 1.381(10) . ?
C14 C17 1.505(10) . ?
C44 C45 1.367(11) . ?
C44 C47 1.505(10) . ?
C44 C43 1.376(11) . ?
C6 H6 1.0000 . ?
C6 C8 1.512(9) . ?
C12 H12 0.9500 . ?
C24 C23 1.384(11) . ?
C24 C25 1.378(11) . ?
C24 C27 1.522(10) . ?
C15 H15 0.9500 . ?
C15 C16 1.390(10) . ?
C46 H46 0.9500 . ?
C46 C45 1.407(10) . ?
C33 H33 0.9500 . ?
C33 C32 1.383(10) . ?
C45 H45 0.9500 . ?
C16 H16 0.9500 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4 C2 1.527(9) . ?
C32 H32 0.9500 . ?
C2 H2 1.0000 . ?
C2 C1 1.537(10) . ?
C23 H23 0.9500 . ?
C42 H42 0.9500 . ?
C42 C43 1.393(10) . ?
C25 H25 0.9500 . ?
C25 C26 1.398(9) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 C1 1.528(10) . ?
C1 H1 1.0000 . ?
C26 H26 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C43 H43 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 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
O11 Sb1 O22 87.07(17) . . ?
O11 Sb1 O12 80.83(19) . . ?
O11 Sb1 O31 151.44(19) . . ?
O11 Sb1 C11 98.9(2) . . ?
O11 Sb1 C21 94.5(2) . . ?
O12 Sb1 O22 74.97(16) . . ?
O12 Sb1 C11 94.0(2) . . ?
O12 Sb1 C21 160.8(2) . . ?
O31 Sb1 O22 70.95(18) . . ?
O31 Sb1 O12 76.08(19) . . ?
O31 Sb1 C11 99.3(2) . . ?
O31 Sb1 C21 101.8(2) . . ?
C11 Sb1 O22 166.58(19) . . ?
C21 Sb1 O22 86.2(2) . . ?
C21 Sb1 C11 105.1(2) . . ?
O22 Sb2 O12 75.47(16) . . ?
O22 Sb2 C41 163.4(2) . . ?
O22 Sb2 C31 94.4(2) . . ?
O21 Sb2 O22 81.18(18) . . ?
O21 Sb2 O12 87.41(18) . . ?
O21 Sb2 C41 95.0(2) . . ?
O21 Sb2 C31 98.1(2) . . ?
O31 Sb2 O22 76.46(18) . . ?
O31 Sb2 O21 152.3(2) . . ?
O31 Sb2 O12 71.38(17) . . ?
O31 Sb2 C41 101.8(2) . . ?
O31 Sb2 C31 99.8(2) . . ?
C41 Sb2 O12 88.3(2) . . ?
C31 Sb2 O12 167.7(2) . . ?
C31 Sb2 C41 102.1(2) . . ?
C1 O11 Sb1 111.9(4) . . ?
Sb2 O22 Sb1 87.15(15) . . ?
C6 O22 Sb1 131.1(4) . . ?
C6 O22 Sb2 113.5(4) . . ?
C5 O21 Sb2 110.8(4) . . ?
Sb1 O12 Sb2 87.52(16) . . ?
C2 O12 Sb1 113.8(4) . . ?
C2 O12 Sb2 129.2(4) . . ?
Sb2 O31 Sb1 100.3(2) . . ?
C46 C41 Sb2 121.1(5) . . ?
C46 C41 C42 119.7(6) . . ?
C42 C41 Sb2 118.8(5) . . ?
C12 C11 Sb1 120.3(4) . . ?
C12 C11 C16 119.2(6) . . ?
C16 C11 Sb1 120.2(5) . . ?
C22 C21 Sb1 119.6(5) . . ?
C26 C21 Sb1 120.6(5) . . ?
C26 C21 C22 119.8(6) . . ?
C36 C31 Sb2 121.4(5) . . ?
C32 C31 Sb2 119.7(5) . . ?
C32 C31 C36 118.7(6) . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 119.9(7) . . ?
C23 C22 H22 120.0 . . ?
O21 C5 H5 108.5 . . ?
O21 C5 C6 110.1(5) . . ?
O21 C5 C7 109.2(6) . . ?
C6 C5 H5 108.5 . . ?
C7 C5 H5 108.5 . . ?
C7 C5 C6 112.0(6) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C12 C13 C14 120.8(6) . . ?
C36 C35 H35 119.0 . . ?
C34 C35 H35 119.0 . . ?
C34 C35 C36 122.1(6) . . ?
C31 C36 H36 120.4 . . ?
C35 C36 C31 119.1(6) . . ?
C35 C36 H36 120.4 . . ?
C35 C34 C33 118.4(7) . . ?
C35 C34 C37 121.6(6) . . ?
C33 C34 C37 120.0(7) . . ?
C13 C14 C17 121.1(6) . . ?
C15 C14 C13 118.4(6) . . ?
C15 C14 C17 120.5(6) . . ?
C45 C44 C47 121.3(7) . . ?
C45 C44 C43 118.3(6) . . ?
C43 C44 C47 120.4(7) . . ?
O22 C6 C5 108.3(5) . . ?
O22 C6 H6 109.3 . . ?
O22 C6 C8 108.3(6) . . ?
C5 C6 H6 109.3 . . ?
C8 C6 C5 112.4(6) . . ?
C8 C6 H6 109.3 . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.6(6) . . ?
C13 C12 H12 119.7 . . ?
C23 C24 C27 121.9(8) . . ?
C25 C24 C23 119.0(6) . . ?
C25 C24 C27 119.1(8) . . ?
C14 C15 H15 119.4 . . ?
C14 C15 C16 121.3(6) . . ?
C16 C15 H15 119.4 . . ?
C41 C46 H46 120.2 . . ?
C41 C46 C45 119.6(6) . . ?
C45 C46 H46 120.2 . . ?
C34 C33 H33 120.0 . . ?
C32 C33 C34 120.0(7) . . ?
C32 C33 H33 120.0 . . ?
C44 C45 C46 121.4(7) . . ?
C44 C45 H45 119.3 . . ?
C46 C45 H45 119.3 . . ?
C11 C16 C15 119.9(6) . . ?
C11 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
C31 C32 C33 121.4(6) . . ?
C31 C32 H32 119.3 . . ?
C33 C32 H32 119.3 . . ?
O12 C2 C4 108.7(6) . . ?
O12 C2 H2 109.2 . . ?
O12 C2 C1 108.7(5) . . ?
C4 C2 H2 109.2 . . ?
C4 C2 C1 111.8(6) . . ?
C1 C2 H2 109.2 . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.1(7) . . ?
C24 C23 H23 119.9 . . ?
C41 C42 H42 120.0 . . ?
C41 C42 C43 120.0(7) . . ?
C43 C42 H42 120.0 . . ?
C24 C25 H25 119.7 . . ?
C24 C25 C26 120.5(7) . . ?
C26 C25 H25 119.7 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
O11 C1 C2 110.0(5) . . ?
O11 C1 C3 107.8(6) . . ?
O11 C1 H1 108.8 . . ?
C2 C1 H1 108.8 . . ?
C3 C1 C2 112.5(6) . . ?
C3 C1 H1 108.8 . . ?
C21 C26 C25 120.6(7) . . ?
C21 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C44 C43 C42 121.0(7) . . ?
C44 C43 H43 119.5 . . ?
C42 C43 H43 119.5 . . ?
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 . . ?

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 O11 C1 C2 -41.8(6) . . . . ?
Sb1 O11 C1 C3 -164.8(5) . . . . ?
Sb1 O22 C6 C5 -124.6(5) . . . . ?
Sb1 O22 C6 C8 113.3(6) . . . . ?
Sb1 O12 C2 C4 -139.8(5) . . . . ?
Sb1 O12 C2 C1 -17.9(6) . . . . ?
Sb1 C11 C12 C13 172.4(5) . . . . ?
Sb1 C11 C16 C15 -172.5(6) . . . . ?
Sb1 C21 C22 C23 -177.8(6) . . . . ?
Sb1 C21 C26 C25 178.2(7) . . . . ?
Sb2 O22 C6 C5 -16.7(6) . . . . ?
Sb2 O22 C6 C8 -138.8(5) . . . . ?
Sb2 O21 C5 C6 -43.9(6) . . . . ?
Sb2 O21 C5 C7 -167.2(5) . . . . ?
Sb2 O12 C2 C4 112.8(5) . . . . ?
Sb2 O12 C2 C1 -125.3(5) . . . . ?
Sb2 C41 C46 C45 -173.1(6) . . . . ?
Sb2 C41 C42 C43 172.9(7) . . . . ?
Sb2 C31 C36 C35 -174.3(5) . . . . ?
Sb2 C31 C32 C33 174.1(6) . . . . ?
O21 C5 C6 O22 39.1(7) . . . . ?
O21 C5 C6 C8 158.7(6) . . . . ?
O12 C2 C1 O11 38.1(7) . . . . ?
O12 C2 C1 C3 158.3(6) . . . . ?
C41 C46 C45 C44 -0.1(13) . . . . ?
C41 C42 C43 C44 0.9(14) . . . . ?
C21 C22 C23 C24 -1.8(13) . . . . ?
C22 C21 C26 C25 -1.1(13) . . . . ?
C13 C14 C15 C16 0.4(12) . . . . ?
C35 C34 C33 C32 5.1(12) . . . . ?
C36 C31 C32 C33 -1.3(11) . . . . ?
C36 C35 C34 C33 -5.4(11) . . . . ?
C36 C35 C34 C37 175.0(7) . . . . ?
C34 C35 C36 C31 2.4(11) . . . . ?
C34 C33 C32 C31 -1.8(12) . . . . ?
C14 C13 C12 C11 0.6(11) . . . . ?
C14 C15 C16 C11 -0.5(12) . . . . ?
C12 C11 C16 C15 0.6(11) . . . . ?
C12 C13 C14 C15 -0.4(11) . . . . ?
C12 C13 C14 C17 -178.2(7) . . . . ?
C24 C25 C26 C21 1.1(14) . . . . ?
C46 C41 C42 C43 -1.0(12) . . . . ?
C45 C44 C43 C42 -0.3(14) . . . . ?
C16 C11 C12 C13 -0.6(10) . . . . ?
C4 C2 C1 O11 158.1(6) . . . . ?
C4 C2 C1 C3 -81.7(8) . . . . ?
C32 C31 C36 C35 1.0(10) . . . . ?
C23 C24 C25 C26 -1.3(13) . . . . ?
C42 C41 C46 C45 0.6(12) . . . . ?
C25 C24 C23 C22 1.7(13) . . . . ?
C26 C21 C22 C23 1.5(12) . . . . ?
C27 C24 C23 C22 -179.4(8) . . . . ?
C27 C24 C25 C26 179.7(9) . . . . ?
C17 C14 C15 C16 178.2(7) . . . . ?
C7 C5 C6 O22 160.7(5) . . . . ?
C7 C5 C6 C8 -79.7(8) . . . . ?
C47 C44 C45 C46 -179.2(9) . . . . ?
C47 C44 C43 C42 178.8(9) . . . . ?
C43 C44 C45 C46 -0.1(13) . . . . ?
C37 C34 C33 C32 -175.4(7) . . . . ?

_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 1.786
_oxdiff_exptl_absorpt_empirical_full_min 0.670
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 1.015(9)
2 -0.015(9)

####################################################################### 
# 
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 2265799'
loop_
_audit_author_name
_audit_author_address
'Timothy Johnstone'
;University of California, Santa Cruz
United States of America
;
_audit_update_record             
;
2023-05-27 deposited with the CCDC.	2023-06-20 downloaded from the CCDC.
;
_audit_creation_date             2022-12-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H27 O2 Sb'
_chemical_formula_sum            'C24 H27 O2 Sb'
_chemical_formula_weight         469.20
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Sb O2 C24 H27'
_chemical_oxdiff_usercomment     BLK0543
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   15.1979(5)
_cell_length_b                   16.3230(8)
_cell_length_c                   16.9475(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4204.3(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    19603
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      75.9320
_cell_measurement_theta_min      4.7160
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.519
_exptl_absorpt_correction_T_max  0.65037
_exptl_absorpt_correction_T_min  0.62586
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.75a (Rigaku Oxford Diffraction, 2022)
Spherical absorption correction
using equivalent radius and absorption coefficient.
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             1904
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 -2 -1 0.0281
1 -1 0 0.0294
-1 1 0 0.0436
-2 1 -2 0.0321
2 -1 2 0.0279
0 -1 -2 0.0438
0 1 2 0.0264
2 2 -1 0.0114
1 -1 2 0.0303
1 2 0 0.0173
1 2 1 0.0177
0 -1 0 0.0301
-1 0 2 0.0352
0 -2 1 0.0227
-1 -2 1 0.0247

_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.064
_exptl_crystal_size_min          0.047
_exptl_crystal_size_rad          0.030
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-2.0070 -1.9862 -1.0123 0.0404 0.2256 -0.1801
0.9983 -0.9989 0.0001 -0.1102 0.0564 0.0619
-0.9983 0.9989 -0.0001 0.1102 -0.0564 -0.0619
-1.9976 0.9926 -2.0041 0.0885 -0.0521 -0.2690
1.9976 -0.9926 2.0041 -0.0885 0.0521 0.2690
-0.0010 -1.0053 -2.0039 -0.1318 0.0606 -0.1452
0.0010 1.0053 2.0039 0.1318 -0.0606 0.1452
1.9988 1.9973 -1.0036 -0.1388 -0.2547 0.0285
0.9987 -0.9932 2.0044 -0.0111 0.0841 0.2122
1.0001 1.9996 -0.0012 -0.0119 -0.2088 0.0468
1.0003 2.0025 1.0010 0.0376 -0.1949 0.1219
-0.0006 -0.9995 0.0004 -0.0328 0.0884 0.0050
-0.9985 0.0052 2.0046 0.1764 0.0598 0.0934
-0.0010 -1.9962 1.0030 -0.0160 0.1907 0.0852
-0.9999 -1.9967 1.0033 0.0614 0.2227 0.0284

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0996
_diffrn_reflns_av_unetI/netI     0.0510
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            60946
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.072
_diffrn_reflns_theta_min         3.760
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_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    -73.00 -48.00   0.50    0.95    --  -49.41 145.00 136.00   50
  2  ω   -119.00 -75.00   0.50    0.95    --  -49.41-127.00-107.00   88
  3  ω   -105.00 -61.00   0.50    0.95    --  -49.41-145.00  83.00   88
  4  ω    -65.00 -40.00   0.50    0.95    --  -49.41 127.00 -32.00   50
  5  ω     54.00 103.00   0.50    0.95    --   49.41-145.00  83.00   98
  6  ω     38.00  95.00   0.50    0.95    --   49.41-127.00-107.00  114
  7  ω    -75.00 -50.00   0.50    3.80    --  -84.25 127.00 -32.00   50
  8  ω    -62.00 -37.00   0.50    3.80    --  -84.25 145.00 136.00   50
  9  ω   -113.00 -75.00   0.50    3.80    --  -84.25-127.00-107.00   76
 10  ω    111.00 136.00   0.50    3.80    --  105.75 127.00 -32.00   50
 11  ω     75.00 112.00   0.50    3.80    --  105.75-127.00-107.00   74
 12  ω    101.00 126.00   0.50    3.80    --  105.75-145.00  83.00   50
 13  ω     81.00 141.00   0.50    3.80    --  105.75 145.00 136.00  120
 14  ω     46.00  71.00   0.50    3.80    --  105.75-127.00-107.00   50
 15  ω   -121.00 -94.00   0.50    0.95    --  -49.41 -57.00 -60.00   54
 16  ω   -120.00 -82.00   0.50    0.95    --  -49.41 -57.00  60.00   76
 17  ω    -23.00  23.00   0.50    0.95    --  -49.41  19.00  60.00   92
 18  ω    -25.00  10.00   0.50    0.95    --  -49.41  19.00 120.00   70
 19  ω   -120.00 -83.00   0.50    0.95    --  -49.41 -57.00 150.00   74
 20  ω   -115.00 -87.00   0.50    0.95    --  -49.41-125.00 -60.00   56
 21  ω   -118.00 -87.00   0.50    0.95    --  -49.41-125.00   0.00   62
 22  ω   -117.00 -83.00   0.50    0.95    --  -49.41 -57.00-150.00   68
 23  ω   -118.00 -84.00   0.50    0.95    --  -49.41 -57.00 -30.00   68
 24  ω     89.00 115.00   0.50    0.95    --   49.41  57.00 120.00   52
 25  ω   -143.00-117.00   0.50    3.80    --  -84.25 -57.00 -90.00   52
 26  ω    -41.00 -15.00   0.50    3.80    --  -84.25  38.00 -90.00   52
 27  ω   -131.00-106.00   0.50    3.80    --  -84.25-145.00  83.00   50
 28  ω    -42.00 -15.00   0.50    3.80    --  -84.25  38.00 -30.00   54
 29  ω     41.00 105.00   0.50    3.80    --  105.75-125.00  90.00  128
 30  ω     63.00  89.00   0.50    3.80    --  105.75 -77.00 -60.00   52
 31  ω     59.00 107.00   0.50    3.80    --  105.75-125.00 -60.00   96
 32  ω     35.00  67.00   0.50    3.80    --  105.75 -57.00-150.00   64
 33  ω     94.00 173.00   0.50    3.80    --  105.75  57.00-120.00  158
 34  ω     34.00  67.00   0.50    3.80    --  105.75 -57.00 -90.00   66
 35  ω     35.00  67.00   0.50    3.80    --  105.75 -57.00  60.00   64
 36  ω     98.00 177.00   0.50    3.80    --  105.75  38.00 -30.00  158
 37  ω     99.00 175.00   0.50    3.80    --  105.75  57.00 120.00  152
 38  ω     36.00  67.00   0.50    3.80    --  105.75 -57.00 -60.00   62
 39  ω     54.00 106.00   0.50    3.80    --  105.75 -99.00 120.00  104
 40  ω     41.00  90.00   0.50    3.80    --  105.75-125.00-180.00   98
 41  ω     43.00 103.00   0.50    3.80    --  105.75 -99.00 -30.00  120
 42  ω     36.00  64.00   0.50    3.80    --  105.75 -99.00-120.00   56
 43  ω     77.00 106.00   0.50    3.80    --  105.75 -99.00-120.00   58
 44  ω     64.00 106.00   0.50    3.80    --  105.75-125.00-150.00   84
 45  ω     36.00  66.00   0.50    3.80    --  105.75 -57.00-120.00   60
 46  ω     81.00 106.00   0.50    3.80    --  105.75 -99.00  60.00   50
 47  ω    102.00 164.00   0.50    3.80    --  105.75  77.00   0.00  124
 48  ω    102.00 176.00   0.50    3.80    --  105.75  38.00  60.00  148
 49  ω     37.00 106.00   0.50    3.80    --  105.75 -99.00  30.00  138
 50  ω     44.00  70.00   0.50    3.80    --  105.75 -77.00 150.00   52
 51  ω     34.00  61.00   0.50    3.80    --  105.75 -57.00  90.00   54
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0774953000
_diffrn_orient_matrix_UB_12      0.0328366000
_diffrn_orient_matrix_UB_13      0.0493313000
_diffrn_orient_matrix_UB_21      -0.0320169000
_diffrn_orient_matrix_UB_22      -0.0884080000
_diffrn_orient_matrix_UB_23      0.0141116000
_diffrn_orient_matrix_UB_31      0.0569440000
_diffrn_orient_matrix_UB_32      -0.0050536000
_diffrn_orient_matrix_UB_33      0.0749703000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.801
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                6896
_reflns_number_total             7984
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.75a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.75a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.75a (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         1.897
_refine_diff_density_min         -1.794
_refine_diff_density_rms         0.113
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.001(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         7984
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0483
_refine_ls_restrained_S_all      1.080
_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)+(0.0528P)²+8.3502P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1156
_refine_ls_wR_factor_ref         0.1199
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.999(13)
 0.001(13)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Ternary CH refined with riding coordinates:
 C2(H2), C5(H5)
3.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C4(H4A,H4B)
3.c Aromatic/amide H refined with riding coordinates:
 C112(H112), C113(H113), C115(H115), C116(H116), C122(H122), C123(H123),
 C125(H125), C126(H126), C132(H132), C133(H133), C135(H135), C136(H136),
 C212(H212), C213(H213), C215(H215), C216(H216), C222(H222), C223(H223),
 C225(H225), C226(H226), C232(H232), C233(H233), C235(H235), C236(H236)
3.d Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C117(H11A,H11B,H11C), C127(H12A,H12B,H12C), C137(H13A,H13B,
 H13C), C6(H6A,H6B,H6C), C217(H21A,H21B,H21C), C227(H22A,H22B,H22C), C237(H23A,
 H23B,H23C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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 0.61602(3) 0.55026(4) 0.12565(3) 0.02709(16) Uani 1 1 d . . . . .
O11 O 0.6422(5) 0.4402(5) 0.1682(4) 0.0389(15) Uani 1 1 d . . . . .
O12 O 0.6137(4) 0.5781(4) 0.2436(4) 0.0334(15) Uani 1 1 d . . . . .
C1 C 0.6499(7) 0.4366(7) 0.2523(6) 0.040(2) Uani 1 1 d . . . . .
H1A H 0.699076 0.399889 0.267034 0.048 Uiso 1 1 calc R U . . .
H1B H 0.595055 0.414105 0.275241 0.048 Uiso 1 1 calc R U . . .
C2 C 0.6666(7) 0.5223(7) 0.2850(6) 0.037(2) Uani 1 1 d . . . . .
H2 H 0.729732 0.536719 0.275843 0.044 Uiso 1 1 calc R U . . .
C3 C 0.6481(6) 0.5264(7) 0.3735(7) 0.042(2) Uani 1 1 d . . . . .
H3A H 0.671038 0.577926 0.394816 0.063 Uiso 1 1 calc R U . . .
H3B H 0.676826 0.480179 0.399958 0.063 Uiso 1 1 calc R U . . .
H3C H 0.584444 0.523617 0.382547 0.063 Uiso 1 1 calc R U . . .
C111 C 0.6114(6) 0.4921(6) 0.0121(6) 0.030(2) Uani 1 1 d . . . . .
C112 C 0.6073(7) 0.4078(7) -0.0001(6) 0.036(2) Uani 1 1 d . . . . .
H112 H 0.607797 0.372058 0.044154 0.043 Uiso 1 1 calc R U . . .
C113 C 0.6026(7) 0.3748(7) -0.0753(6) 0.041(2) Uani 1 1 d . . . . .
H113 H 0.598914 0.317100 -0.081732 0.049 Uiso 1 1 calc R U . . .
C114 C 0.6032(6) 0.4248(7) -0.1411(6) 0.041(3) Uani 1 1 d . . . . .
C115 C 0.6101(6) 0.5080(6) -0.1321(7) 0.035(2) Uani 1 1 d . . . . .
H115 H 0.612971 0.542363 -0.177241 0.042 Uiso 1 1 calc R U . . .
C116 C 0.6131(5) 0.5428(6) -0.0558(5) 0.0273(18) Uani 1 1 d . . . . .
H116 H 0.616258 0.600573 -0.049937 0.033 Uiso 1 1 calc R U . . .
C117 C 0.6000(7) 0.3872(8) -0.2226(6) 0.049(3) Uani 1 1 d . . . . .
H11A H 0.584765 0.429492 -0.261345 0.074 Uiso 1 1 calc R U . . .
H11B H 0.555393 0.343808 -0.223765 0.074 Uiso 1 1 calc R U . . .
H11C H 0.657601 0.363918 -0.235624 0.074 Uiso 1 1 calc R U . . .
C121 C 0.4952(5) 0.6138(7) 0.1168(6) 0.027(2) Uani 1 1 d . . . . .
C122 C 0.4303(5) 0.5879(6) 0.0645(5) 0.026(2) Uani 1 1 d . . . . .
H122 H 0.440809 0.542141 0.031131 0.031 Uiso 1 1 calc R U . . .
C123 C 0.3500(6) 0.6290(6) 0.0609(6) 0.032(2) Uani 1 1 d . . . . .
H123 H 0.305720 0.609940 0.025810 0.039 Uiso 1 1 calc R U . . .
C124 C 0.3333(6) 0.6971(6) 0.1076(5) 0.029(2) Uani 1 1 d . . . . .
C125 C 0.3985(6) 0.7238(6) 0.1590(6) 0.036(2) Uani 1 1 d . . . . .
H125 H 0.388972 0.771228 0.190373 0.044 Uiso 1 1 calc R U . . .
C126 C 0.4777(6) 0.6816(6) 0.1647(5) 0.030(2) Uani 1 1 d . . . . .
H126 H 0.520671 0.699057 0.201726 0.036 Uiso 1 1 calc R U . . .
C127 C 0.2468(6) 0.7432(7) 0.0991(6) 0.037(2) Uani 1 1 d . . . . .
H12A H 0.241233 0.763811 0.045000 0.056 Uiso 1 1 calc R U . . .
H12B H 0.245754 0.789281 0.136096 0.056 Uiso 1 1 calc R U . . .
H12C H 0.197722 0.706133 0.110637 0.056 Uiso 1 1 calc R U . . .
C131 C 0.7288(5) 0.6230(6) 0.1060(5) 0.026(2) Uani 1 1 d . . . . .
C132 C 0.7359(5) 0.7029(6) 0.1349(5) 0.031(2) Uani 1 1 d . . . . .
H132 H 0.687143 0.727552 0.160682 0.037 Uiso 1 1 calc R U . . .
C133 C 0.8148(5) 0.7470(6) 0.1259(6) 0.0309(19) Uani 1 1 d . . . . .
H133 H 0.818446 0.801824 0.144435 0.037 Uiso 1 1 calc R U . . .
C134 C 0.8873(6) 0.7109(6) 0.0902(5) 0.031(2) Uani 1 1 d . . . . .
C135 C 0.8790(6) 0.6310(6) 0.0605(6) 0.034(2) Uani 1 1 d . . . . .
H135 H 0.927643 0.605937 0.034857 0.041 Uiso 1 1 calc R U . . .
C136 C 0.8009(6) 0.5883(7) 0.0680(6) 0.037(2) Uani 1 1 d . . . . .
H136 H 0.796334 0.534514 0.046946 0.044 Uiso 1 1 calc R U . . .
C137 C 0.9743(6) 0.7557(8) 0.0835(7) 0.042(3) Uani 1 1 d . . . . .
H13A H 0.967212 0.812123 0.102058 0.063 Uiso 1 1 calc R U . . .
H13B H 0.993338 0.756060 0.028219 0.063 Uiso 1 1 calc R U . . .
H13C H 1.018597 0.727734 0.115736 0.063 Uiso 1 1 calc R U . . .
Sb2 Sb 0.87637(3) 0.94671(4) 0.37895(3) 0.02898(16) Uani 1 1 d . . . . .
O21 O 0.8751(4) 1.0638(5) 0.3484(4) 0.0401(16) Uani 1 1 d . . . . .
O22 O 0.8548(4) 0.9317(4) 0.2601(4) 0.0334(15) Uani 1 1 d . . . . .
C4 C 0.8600(8) 1.0763(7) 0.2665(6) 0.046(3) Uani 1 1 d . . . . .
H4A H 0.893508 1.124821 0.248388 0.055 Uiso 1 1 calc R U . . .
H4B H 0.796696 1.086944 0.257301 0.055 Uiso 1 1 calc R U . . .
C5 C 0.8885(6) 1.0014(6) 0.2197(6) 0.036(2) Uani 1 1 d . . . . .
H5 H 0.954200 0.998461 0.220181 0.043 Uiso 1 1 calc R U . . .
C6 C 0.8578(7) 1.0006(7) 0.1354(7) 0.044(3) Uani 1 1 d . . . . .
H6A H 0.883072 0.953190 0.108168 0.066 Uiso 1 1 calc R U . . .
H6B H 0.876946 1.051060 0.109170 0.066 Uiso 1 1 calc R U . . .
H6C H 0.793478 0.997150 0.134028 0.066 Uiso 1 1 calc R U . . .
C211 C 0.8839(6) 0.9881(6) 0.5007(6) 0.026(2) Uani 1 1 d . . . . .
C212 C 0.8926(6) 1.0693(6) 0.5235(6) 0.036(2) Uani 1 1 d . . . . .
H212 H 0.895051 1.111239 0.484764 0.044 Uiso 1 1 calc R U . . .
C213 C 0.8979(7) 1.0893(7) 0.6035(7) 0.045(3) Uani 1 1 d . . . . .
H213 H 0.904390 1.145164 0.618170 0.054 Uiso 1 1 calc R U . . .
C214 C 0.8941(6) 1.0299(7) 0.6622(6) 0.039(2) Uani 1 1 d . . . . .
C215 C 0.8856(5) 0.9483(7) 0.6390(6) 0.035(2) Uani 1 1 d . . . . .
H215 H 0.883695 0.906401 0.677906 0.043 Uiso 1 1 calc R U . . .
C216 C 0.8797(5) 0.9273(6) 0.5587(5) 0.0269(19) Uani 1 1 d . . . . .
H216 H 0.872934 0.871532 0.543737 0.032 Uiso 1 1 calc R U . . .
C217 C 0.8968(8) 1.0526(10) 0.7480(7) 0.059(3) Uani 1 1 d . . . . .
H21A H 0.925074 1.106214 0.754037 0.089 Uiso 1 1 calc R U . . .
H21B H 0.930398 1.011297 0.777202 0.089 Uiso 1 1 calc R U . . .
H21C H 0.836695 1.055175 0.768833 0.089 Uiso 1 1 calc R U . . .
C221 C 0.7664(5) 0.8688(6) 0.3922(5) 0.028(2) Uani 1 1 d . . . . .
C222 C 0.7004(6) 0.8889(7) 0.4459(5) 0.032(2) Uani 1 1 d . . . . .
H222 H 0.708618 0.932917 0.481779 0.039 Uiso 1 1 calc R U . . .
C223 C 0.6221(6) 0.8440(7) 0.4466(5) 0.033(2) Uani 1 1 d . . . . .
H223 H 0.577194 0.857715 0.483319 0.040 Uiso 1 1 calc R U . . .
C224 C 0.6092(6) 0.7802(6) 0.3947(5) 0.034(2) Uani 1 1 d . . . . .
C225 C 0.6771(6) 0.7563(6) 0.3434(5) 0.033(2) Uani 1 1 d . . . . .
H225 H 0.670503 0.709905 0.310049 0.039 Uiso 1 1 calc R U . . .
C226 C 0.7548(6) 0.8026(6) 0.3424(5) 0.030(2) Uani 1 1 d . . . . .
H226 H 0.800435 0.788179 0.306753 0.036 Uiso 1 1 calc R U . . .
C227 C 0.5225(7) 0.7349(8) 0.3916(7) 0.044(3) Uani 1 1 d . . . . .
H22A H 0.499853 0.727624 0.445292 0.065 Uiso 1 1 calc R U . . .
H22B H 0.531324 0.681153 0.367081 0.065 Uiso 1 1 calc R U . . .
H22C H 0.480168 0.766571 0.360451 0.065 Uiso 1 1 calc R U . . .
C231 C 0.9998(5) 0.8861(7) 0.3724(6) 0.029(2) Uani 1 1 d . . . . .
C232 C 1.0208(6) 0.8417(7) 0.3039(6) 0.033(2) Uani 1 1 d . . . . .
H232 H 0.980710 0.839851 0.260978 0.039 Uiso 1 1 calc R U . . .
C233 C 1.1005(6) 0.8009(6) 0.2994(6) 0.037(2) Uani 1 1 d . . . . .
H233 H 1.113931 0.770520 0.253121 0.044 Uiso 1 1 calc R U . . .
C234 C 1.1609(5) 0.8028(6) 0.3601(6) 0.033(2) Uani 1 1 d . . . . .
C235 C 1.1408(6) 0.8493(8) 0.4268(6) 0.040(2) Uani 1 1 d . . . . .
H235 H 1.182124 0.852717 0.468779 0.048 Uiso 1 1 calc R U . . .
C236 C 1.0613(6) 0.8906(7) 0.4327(6) 0.033(2) Uani 1 1 d . . . . .
H236 H 1.048838 0.922182 0.478404 0.039 Uiso 1 1 calc R U . . .
C237 C 1.2475(6) 0.7569(6) 0.3566(6) 0.040(2) Uani 1 1 d . . . . .
H23A H 1.246934 0.712284 0.395233 0.059 Uiso 1 1 calc R U . . .
H23B H 1.295895 0.794601 0.368715 0.059 Uiso 1 1 calc R U . . .
H23C H 1.255741 0.734291 0.303553 0.059 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 O11 1.977(7) . ?
Sb1 O12 2.049(6) . ?
Sb1 C111 2.147(10) . ?
Sb1 C121 2.114(9) . ?
Sb1 C131 2.111(9) . ?
O11 C1 1.431(12) . ?
O12 C2 1.402(12) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.526(15) . ?
C2 H2 1.0000 . ?
C2 C3 1.528(15) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C111 C112 1.393(14) . ?
C111 C116 1.417(13) . ?
C112 H112 0.9500 . ?
C112 C113 1.385(14) . ?
C113 H113 0.9500 . ?
C113 C114 1.382(16) . ?
C114 C115 1.371(15) . ?
C114 C117 1.512(14) . ?
C115 H115 0.9500 . ?
C115 C116 1.413(14) . ?
C116 H116 0.9500 . ?
C117 H11A 0.9800 . ?
C117 H11B 0.9800 . ?
C117 H11C 0.9800 . ?
C121 C122 1.392(13) . ?
C121 C126 1.397(14) . ?
C122 H122 0.9500 . ?
C122 C123 1.395(12) . ?
C123 H123 0.9500 . ?
C123 C124 1.387(13) . ?
C124 C125 1.390(13) . ?
C124 C127 1.522(12) . ?
C125 H125 0.9500 . ?
C125 C126 1.390(13) . ?
C126 H126 0.9500 . ?
C127 H12A 0.9800 . ?
C127 H12B 0.9800 . ?
C127 H12C 0.9800 . ?
C131 C132 1.396(14) . ?
C131 C136 1.392(13) . ?
C132 H132 0.9500 . ?
C132 C133 1.407(13) . ?
C133 H133 0.9500 . ?
C133 C134 1.388(13) . ?
C134 C135 1.404(14) . ?
C134 C137 1.515(13) . ?
C135 H135 0.9500 . ?
C135 C136 1.382(13) . ?
C136 H136 0.9500 . ?
C137 H13A 0.9800 . ?
C137 H13B 0.9800 . ?
C137 H13C 0.9800 . ?
Sb2 O21 1.980(7) . ?
Sb2 O22 2.055(6) . ?
Sb2 C211 2.175(9) . ?
Sb2 C221 2.113(9) . ?
Sb2 C231 2.123(8) . ?
O21 C4 1.421(13) . ?
O22 C5 1.423(12) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.521(15) . ?
C5 H5 1.0000 . ?
C5 C6 1.502(15) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C211 C212 1.387(14) . ?
C211 C216 1.397(13) . ?
C212 H212 0.9500 . ?
C212 C213 1.396(15) . ?
C213 H213 0.9500 . ?
C213 C214 1.391(17) . ?
C214 C215 1.395(15) . ?
C214 C217 1.502(14) . ?
C215 H215 0.9500 . ?
C215 C216 1.407(13) . ?
C216 H216 0.9500 . ?
C217 H21A 0.9800 . ?
C217 H21B 0.9800 . ?
C217 H21C 0.9800 . ?
C221 C222 1.393(13) . ?
C221 C226 1.382(13) . ?
C222 H222 0.9500 . ?
C222 C223 1.398(14) . ?
C223 H223 0.9500 . ?
C223 C224 1.378(14) . ?
C224 C225 1.405(13) . ?
C224 C227 1.511(14) . ?
C225 H225 0.9500 . ?
C225 C226 1.402(14) . ?
C226 H226 0.9500 . ?
C227 H22A 0.9800 . ?
C227 H22B 0.9800 . ?
C227 H22C 0.9800 . ?
C231 C232 1.405(14) . ?
C231 C236 1.386(13) . ?
C232 H232 0.9500 . ?
C232 C233 1.384(13) . ?
C233 H233 0.9500 . ?
C233 C234 1.380(14) . ?
C234 C235 1.395(14) . ?
C234 C237 1.515(12) . ?
C235 H235 0.9500 . ?
C235 C236 1.388(14) . ?
C236 H236 0.9500 . ?
C237 H23A 0.9800 . ?
C237 H23B 0.9800 . ?
C237 H23C 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
O11 Sb1 O12 81.3(3) . . ?
O11 Sb1 C111 86.1(3) . . ?
O11 Sb1 C121 130.3(3) . . ?
O11 Sb1 C131 113.9(3) . . ?
O12 Sb1 C111 166.2(3) . . ?
O12 Sb1 C121 86.9(3) . . ?
O12 Sb1 C131 92.5(3) . . ?
C121 Sb1 C111 97.2(4) . . ?
C131 Sb1 C111 97.7(4) . . ?
C131 Sb1 C121 114.7(4) . . ?
C1 O11 Sb1 114.7(6) . . ?
C2 O12 Sb1 109.6(6) . . ?
O11 C1 H1A 109.7 . . ?
O11 C1 H1B 109.7 . . ?
O11 C1 C2 109.7(8) . . ?
H1A C1 H1B 108.2 . . ?
C2 C1 H1A 109.7 . . ?
C2 C1 H1B 109.7 . . ?
O12 C2 C1 108.5(8) . . ?
O12 C2 H2 108.6 . . ?
O12 C2 C3 111.0(8) . . ?
C1 C2 H2 108.6 . . ?
C1 C2 C3 111.4(9) . . ?
C3 C2 H2 108.6 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C112 C111 Sb1 124.8(8) . . ?
C112 C111 C116 117.2(9) . . ?
C116 C111 Sb1 118.0(7) . . ?
C111 C112 H112 119.3 . . ?
C113 C112 C111 121.5(11) . . ?
C113 C112 H112 119.3 . . ?
C112 C113 H113 119.6 . . ?
C114 C113 C112 120.9(10) . . ?
C114 C113 H113 119.6 . . ?
C113 C114 C117 119.9(10) . . ?
C115 C114 C113 119.6(10) . . ?
C115 C114 C117 120.4(11) . . ?
C114 C115 H115 119.9 . . ?
C114 C115 C116 120.2(10) . . ?
C116 C115 H115 119.9 . . ?
C111 C116 H116 119.7 . . ?
C115 C116 C111 120.5(9) . . ?
C115 C116 H116 119.7 . . ?
C114 C117 H11A 109.5 . . ?
C114 C117 H11B 109.5 . . ?
C114 C117 H11C 109.5 . . ?
H11A C117 H11B 109.5 . . ?
H11A C117 H11C 109.5 . . ?
H11B C117 H11C 109.5 . . ?
C122 C121 Sb1 120.8(8) . . ?
C122 C121 C126 118.4(8) . . ?
C126 C121 Sb1 120.8(7) . . ?
C121 C122 H122 119.9 . . ?
C121 C122 C123 120.1(9) . . ?
C123 C122 H122 119.9 . . ?
C122 C123 H123 119.3 . . ?
C124 C123 C122 121.4(8) . . ?
C124 C123 H123 119.3 . . ?
C123 C124 C125 118.6(8) . . ?
C123 C124 C127 120.0(8) . . ?
C125 C124 C127 121.3(9) . . ?
C124 C125 H125 119.9 . . ?
C124 C125 C126 120.3(9) . . ?
C126 C125 H125 119.9 . . ?
C121 C126 H126 119.4 . . ?
C125 C126 C121 121.1(9) . . ?
C125 C126 H126 119.4 . . ?
C124 C127 H12A 109.5 . . ?
C124 C127 H12B 109.5 . . ?
C124 C127 H12C 109.5 . . ?
H12A C127 H12B 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
C132 C131 Sb1 122.2(6) . . ?
C136 C131 Sb1 118.9(7) . . ?
C136 C131 C132 118.8(9) . . ?
C131 C132 H132 119.8 . . ?
C131 C132 C133 120.4(8) . . ?
C133 C132 H132 119.8 . . ?
C132 C133 H133 119.8 . . ?
C134 C133 C132 120.4(9) . . ?
C134 C133 H133 119.8 . . ?
C133 C134 C135 118.7(8) . . ?
C133 C134 C137 121.4(9) . . ?
C135 C134 C137 119.9(9) . . ?
C134 C135 H135 119.6 . . ?
C136 C135 C134 120.8(9) . . ?
C136 C135 H135 119.6 . . ?
C131 C136 H136 119.6 . . ?
C135 C136 C131 120.9(10) . . ?
C135 C136 H136 119.6 . . ?
C134 C137 H13A 109.5 . . ?
C134 C137 H13B 109.5 . . ?
C134 C137 H13C 109.5 . . ?
H13A C137 H13B 109.5 . . ?
H13A C137 H13C 109.5 . . ?
H13B C137 H13C 109.5 . . ?
O21 Sb2 O22 81.8(3) . . ?
O21 Sb2 C211 87.1(3) . . ?
O21 Sb2 C221 126.9(3) . . ?
O21 Sb2 C231 116.4(4) . . ?
O22 Sb2 C211 167.3(3) . . ?
O22 Sb2 C221 84.6(3) . . ?
O22 Sb2 C231 92.0(3) . . ?
C221 Sb2 C211 97.3(3) . . ?
C221 Sb2 C231 115.1(4) . . ?
C231 Sb2 C211 98.5(4) . . ?
C4 O21 Sb2 113.4(7) . . ?
C5 O22 Sb2 108.7(6) . . ?
O21 C4 H4A 109.6 . . ?
O21 C4 H4B 109.6 . . ?
O21 C4 C5 110.3(9) . . ?
H4A C4 H4B 108.1 . . ?
C5 C4 H4A 109.6 . . ?
C5 C4 H4B 109.6 . . ?
O22 C5 C4 106.8(8) . . ?
O22 C5 H5 108.5 . . ?
O22 C5 C6 109.9(8) . . ?
C4 C5 H5 108.5 . . ?
C6 C5 C4 114.5(9) . . ?
C6 C5 H5 108.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C212 C211 Sb2 124.5(8) . . ?
C212 C211 C216 119.2(9) . . ?
C216 C211 Sb2 116.3(7) . . ?
C211 C212 H212 120.0 . . ?
C211 C212 C213 120.0(10) . . ?
C213 C212 H212 120.0 . . ?
C212 C213 H213 119.1 . . ?
C214 C213 C212 121.9(10) . . ?
C214 C213 H213 119.1 . . ?
C213 C214 C215 118.0(9) . . ?
C213 C214 C217 121.3(11) . . ?
C215 C214 C217 120.7(11) . . ?
C214 C215 H215 119.6 . . ?
C214 C215 C216 120.7(9) . . ?
C216 C215 H215 119.6 . . ?
C211 C216 C215 120.3(9) . . ?
C211 C216 H216 119.9 . . ?
C215 C216 H216 119.9 . . ?
C214 C217 H21A 109.5 . . ?
C214 C217 H21B 109.5 . . ?
C214 C217 H21C 109.5 . . ?
H21A C217 H21B 109.5 . . ?
H21A C217 H21C 109.5 . . ?
H21B C217 H21C 109.5 . . ?
C222 C221 Sb2 119.8(7) . . ?
C226 C221 Sb2 120.4(7) . . ?
C226 C221 C222 119.4(9) . . ?
C221 C222 H222 120.1 . . ?
C221 C222 C223 119.7(9) . . ?
C223 C222 H222 120.1 . . ?
C222 C223 H223 119.6 . . ?
C224 C223 C222 120.8(9) . . ?
C224 C223 H223 119.6 . . ?
C223 C224 C225 120.0(9) . . ?
C223 C224 C227 121.1(9) . . ?
C225 C224 C227 118.9(9) . . ?
C224 C225 H225 120.8 . . ?
C226 C225 C224 118.5(9) . . ?
C226 C225 H225 120.8 . . ?
C221 C226 C225 121.5(9) . . ?
C221 C226 H226 119.3 . . ?
C225 C226 H226 119.3 . . ?
C224 C227 H22A 109.5 . . ?
C224 C227 H22B 109.5 . . ?
C224 C227 H22C 109.5 . . ?
H22A C227 H22B 109.5 . . ?
H22A C227 H22C 109.5 . . ?
H22B C227 H22C 109.5 . . ?
C232 C231 Sb2 119.0(7) . . ?
C236 C231 Sb2 122.2(7) . . ?
C236 C231 C232 118.8(8) . . ?
C231 C232 H232 120.2 . . ?
C233 C232 C231 119.5(8) . . ?
C233 C232 H232 120.2 . . ?
C232 C233 H233 119.0 . . ?
C234 C233 C232 122.0(9) . . ?
C234 C233 H233 119.0 . . ?
C233 C234 C235 118.1(8) . . ?
C233 C234 C237 122.5(9) . . ?
C235 C234 C237 119.4(9) . . ?
C234 C235 H235 119.6 . . ?
C236 C235 C234 120.8(9) . . ?
C236 C235 H235 119.6 . . ?
C231 C236 C235 120.6(9) . . ?
C231 C236 H236 119.7 . . ?
C235 C236 H236 119.7 . . ?
C234 C237 H23A 109.5 . . ?
C234 C237 H23B 109.5 . . ?
C234 C237 H23C 109.5 . . ?
H23A C237 H23B 109.5 . . ?
H23A C237 H23C 109.5 . . ?
H23B C237 H23C 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 O11 C1 C2 -19.2(10) . . . . ?
Sb1 O12 C2 C1 -42.3(9) . . . . ?
Sb1 O12 C2 C3 -165.1(7) . . . . ?
Sb1 C111 C112 C113 178.6(7) . . . . ?
Sb1 C111 C116 C115 -179.9(6) . . . . ?
Sb1 C121 C122 C123 178.1(7) . . . . ?
Sb1 C121 C126 C125 179.8(8) . . . . ?
Sb1 C131 C132 C133 174.9(7) . . . . ?
Sb1 C131 C136 C135 -173.8(7) . . . . ?
O11 C1 C2 O12 40.4(11) . . . . ?
O11 C1 C2 C3 162.9(8) . . . . ?
C111 C112 C113 C114 1.0(16) . . . . ?
C112 C111 C116 C115 0.4(13) . . . . ?
C112 C113 C114 C115 1.2(15) . . . . ?
C112 C113 C114 C117 178.7(9) . . . . ?
C113 C114 C115 C116 -2.6(14) . . . . ?
C114 C115 C116 C111 1.8(13) . . . . ?
C116 C111 C112 C113 -1.8(15) . . . . ?
C117 C114 C115 C116 180.0(9) . . . . ?
C121 C122 C123 C124 1.4(15) . . . . ?
C122 C121 C126 C125 -1.8(15) . . . . ?
C122 C123 C124 C125 -0.4(15) . . . . ?
C122 C123 C124 C127 176.7(9) . . . . ?
C123 C124 C125 C126 -1.7(15) . . . . ?
C124 C125 C126 C121 2.8(15) . . . . ?
C126 C121 C122 C123 -0.3(14) . . . . ?
C127 C124 C125 C126 -178.8(9) . . . . ?
C131 C132 C133 C134 -1.8(14) . . . . ?
C132 C131 C136 C135 1.6(14) . . . . ?
C132 C133 C134 C135 2.6(14) . . . . ?
C132 C133 C134 C137 -177.0(9) . . . . ?
C133 C134 C135 C136 -1.4(14) . . . . ?
C134 C135 C136 C131 -0.7(15) . . . . ?
C136 C131 C132 C133 -0.3(13) . . . . ?
C137 C134 C135 C136 178.2(9) . . . . ?
Sb2 O21 C4 C5 -25.0(10) . . . . ?
Sb2 O22 C5 C4 -43.9(8) . . . . ?
Sb2 O22 C5 C6 -168.6(6) . . . . ?
Sb2 C211 C212 C213 -179.2(7) . . . . ?
Sb2 C211 C216 C215 178.9(6) . . . . ?
Sb2 C221 C222 C223 170.8(7) . . . . ?
Sb2 C221 C226 C225 -171.7(7) . . . . ?
Sb2 C231 C232 C233 -179.0(8) . . . . ?
Sb2 C231 C236 C235 179.2(8) . . . . ?
O21 C4 C5 O22 45.6(11) . . . . ?
O21 C4 C5 C6 167.4(9) . . . . ?
C211 C212 C213 C214 -0.5(15) . . . . ?
C212 C211 C216 C215 -0.8(13) . . . . ?
C212 C213 C214 C215 0.7(14) . . . . ?
C212 C213 C214 C217 -177.9(9) . . . . ?
C213 C214 C215 C216 -1.0(13) . . . . ?
C214 C215 C216 C211 1.1(13) . . . . ?
C216 C211 C212 C213 0.5(14) . . . . ?
C217 C214 C215 C216 177.6(9) . . . . ?
C221 C222 C223 C224 -0.2(15) . . . . ?
C222 C221 C226 C225 1.5(14) . . . . ?
C222 C223 C224 C225 3.7(15) . . . . ?
C222 C223 C224 C227 -176.0(10) . . . . ?
C223 C224 C225 C226 -4.6(14) . . . . ?
C224 C225 C226 C221 2.0(14) . . . . ?
C226 C221 C222 C223 -2.5(14) . . . . ?
C227 C224 C225 C226 175.2(9) . . . . ?
C231 C232 C233 C234 -0.7(16) . . . . ?
C232 C231 C236 C235 -2.6(16) . . . . ?
C232 C233 C234 C235 -1.5(16) . . . . ?
C232 C233 C234 C237 178.7(10) . . . . ?
C233 C234 C235 C236 1.7(16) . . . . ?
C234 C235 C236 C231 0.4(17) . . . . ?
C236 C231 C232 C233 2.7(16) . . . . ?
C237 C234 C235 C236 -178.6(10) . . . . ?

_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 2.163
_oxdiff_exptl_absorpt_empirical_full_min 0.533
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.999(13)
2 0.001(13)
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2265796'
loop_
_audit_author_name
_audit_author_address
'Timothy Johnstone'
;University of California, Santa Cruz
United States of America
;
_audit_update_record             
;
2023-05-27 deposited with the CCDC.	2023-06-20 downloaded from the CCDC.
;
_audit_creation_date             2022-12-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H31 O2 Sb'
_chemical_formula_sum            'C27 H31 O2 Sb'
_chemical_formula_weight         509.27
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Sb O2 C27 H31'
_chemical_oxdiff_usercomment     BLK0529
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.0944(4)
_cell_length_b                   11.6974(5)
_cell_length_c                   12.2709(6)
_cell_angle_alpha                63.873(5)
_cell_angle_beta                 84.156(4)
_cell_angle_gamma                65.488(4)
_cell_volume                     1177.82(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    16139
_cell_measurement_temperature    101(2)
_cell_measurement_theta_max      72.7410
_cell_measurement_theta_min      4.0010
_shelx_estimated_absorpt_T_max   0.704
_shelx_estimated_absorpt_T_min   0.423
_exptl_absorpt_coefficient_mu    9.434
_exptl_absorpt_correction_T_max  0.781
_exptl_absorpt_correction_T_min  0.533
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.64a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             520
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 1 -1 0.0240
-1 0 -2 0.0526
1 0 2 0.0515
-1 0 0 0.0332
2 1 2 0.0354
1 1 2 0.0375
-2 0 1 0.0370
-2 -1 -1 0.0482
2 2 1 0.0188
0 -2 -1 0.0379
-2 -2 -1 0.0473
2 -2 -1 0.0358
0 1 0 0.0173
-1 -2 0 0.0422
1 1 0 0.0106
-1 -1 0 0.0332
2 -1 -2 0.0279
1 -2 -2 0.0277
-2 -1 1 0.0334

_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
2.0002 0.9994 -0.9983 -0.1967 0.0943 0.2779
-1.0006 -0.0033 -2.0010 -0.2444 0.1370 -0.1955
1.0006 0.0033 2.0010 0.2444 -0.1370 0.1955
-1.0000 -0.0004 -0.0010 -0.0273 -0.0380 -0.1619
2.0011 1.0038 2.0017 0.1290 -0.1681 0.3282
1.0010 1.0034 2.0007 0.1017 -0.2061 0.1662
-1.9997 0.0006 0.9980 0.0541 -0.1634 -0.3071
-2.0008 -1.0023 -1.0017 -0.0204 0.0806 -0.3114
2.0012 2.0024 1.0014 -0.1222 -0.1497 0.2822
-0.0011 -2.0016 -0.9994 0.1767 0.2257 0.0417
-2.0012 -2.0024 -1.0014 0.1222 0.1497 -0.2822
1.9989 -2.0007 -0.9974 0.2312 0.3016 0.3656
0.0004 1.0000 -0.0003 -0.1426 -0.0691 -0.0292
-1.0009 -2.0005 -0.0004 0.2580 0.1002 -0.1035
1.0004 1.0005 0.0007 -0.1154 -0.0311 0.1327
-1.0004 -1.0005 -0.0007 0.1154 0.0311 -0.1327
1.9990 -1.0022 -1.9976 -0.0200 0.3200 0.3196
0.9986 -2.0026 -1.9983 0.0954 0.3511 0.1869
-2.0002 -0.9994 0.9983 0.1967 -0.0943 -0.2779

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0663
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            27689
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.070
_diffrn_reflns_theta_max         67.070
_diffrn_reflns_theta_min         4.032
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      101(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -112.00 -83.00   0.50    0.34    --  -49.41-157.00 -56.00   58
  2  ω    -92.00 -67.00   0.50    0.34    --  -49.41 157.00 -21.00   50
  3  ω    -49.00 -11.00   0.50    0.34    --  -49.41 120.00-177.00   76
  4  ω     33.00  87.00   0.50    0.34    --   49.41-120.00  98.00  108
  5  ω     86.00 118.00   0.50    0.34    --   49.41 157.00 -21.00   64
  6  ω     77.00 102.00   0.50    0.34    --   49.41-157.00 -56.00   50
  7  ω    -84.00 -18.00   0.50    1.34    --  -84.25 120.00-177.00  132
  8  ω   -139.00-114.00   0.50    1.34    --  -84.25-120.00  98.00   50
  9  ω   -102.00 -76.00   0.50    1.34    --  -84.25-157.00 -56.00   52
 10  ω    106.00 132.00   0.50    1.34    --  105.75-157.00 -56.00   52
 11  ω     75.00 131.00   0.50    1.34    --  105.75 157.00 -21.00  112
 12  ω    103.00 175.00   0.50    1.34    --  105.75 120.00-177.00  144
 13  ω     83.00 108.00   0.50    1.34    --  105.75-120.00  98.00   50
 14  ω     -7.00  18.00   0.50    0.34    --   16.00  82.00-122.25   50
 15  ω     -8.00  17.00   0.50    0.34    --   16.00  84.00 116.41   50
 16  ω      2.00  28.00   0.50    0.34    --   20.00  72.00  16.98   52
 17  ω    -37.00 -12.00   0.50    0.34    --  -28.00 -67.00 156.72   50
 18  ω    -39.00 -14.00   0.50    0.34    --  -28.00 -66.00  88.70   50
 19  ω     19.00  45.00   0.50    0.34    --   32.00  60.00-171.49   52
 20  ω     20.00  49.00   0.50    0.34    --   32.00  60.00 -73.92   58
 21  ω     22.00  47.00   0.50    0.34    --   36.00  61.00  36.00   50
 22  ω     23.00  53.00   0.50    0.34    --   36.00  59.00  97.95   60
 23  ω     22.00  47.00   0.50    0.34    --   36.00  60.00  -1.80   50
 24  ω    -53.00 -28.00   0.50    0.34    --  -40.00 -59.00-110.14   50
 25  ω     27.00  53.00   0.50    0.34    --   40.00  59.00 -50.81   52
 26  ω     27.00  52.00   0.50    0.34    --   40.00  59.00 139.14   50
 27  ω    -66.00 -37.00   0.50    0.34    --  -48.00 -53.00 159.75   58
 28  ω     42.00  73.00   0.50    0.34    --   49.41  56.00-139.60   62
 29  ω     96.00 121.00   0.50    0.34    --   49.41  56.00-139.60   50
 30  ω   -114.00 -89.00   0.50    0.34    --  -56.00 -52.00  90.72   50
 31  ω    -70.00 -44.00   0.50    0.34    --  -56.00 -54.00-161.52   52
 32  ω    -70.00 -45.00   0.50    0.34    --  -56.00 -52.00  90.72   50
 33  ω    -77.00 -44.00   0.50    0.34    --  -56.00 -56.00 -31.12   66
 34  ω   -113.00 -87.00   0.50    0.34    --  -56.00 -54.00-161.52   52
 35  ω   -105.00 -47.00   0.50    0.34    --  -60.00 -56.00 -84.83  116
 36  ω   -130.00-101.00   0.50    0.34    --  -60.00 -53.00  68.76   58
 37  ω    -74.00 -48.00   0.50    0.34    --  -60.00 -53.00  -6.27   52
 38  ω    -77.00 -48.00   0.50    0.34    --  -60.00 -53.00  68.76   58
 39  ω     48.00  73.00   0.50    0.34    --   60.00  55.00 110.75   50
 40  ω     48.00  74.00   0.50    0.34    --   60.00  54.00 -50.17   52
 41  ω    -80.00 -55.00   0.50    0.34    --  -64.00 -50.00  10.55   50
 42  ω    -81.00 -56.00   0.50    1.34    --  -68.00 -54.00 177.78   50
 43  ω     57.00  82.00   0.50    0.34    --   68.00  55.00 142.60   50
 44  ω    -86.00 -60.00   0.50    1.34    --  -72.00 -54.00 144.90   52
 45  ω    -86.00 -60.00   0.50    1.34    --  -72.00 -54.00 133.00   52
 46  ω    -92.00 -64.00   0.50    1.34    --  -76.00 -56.00-116.65   56
 47  ω    -92.00 -66.00   0.50    1.34    --  -76.00 -49.00 -54.20   52
 48  ω    -89.00 -63.00   0.50    1.34    --  -76.00 -56.00  48.11   52
 49  ω    -95.00 -69.00   0.50    1.34    --  -80.00 -55.00 116.23   52
 50  ω   -106.00 -73.00   0.50    1.34    --  -84.25 -51.00 -72.41   66
 51  ω    -97.00 -72.00   0.50    1.34    --  -84.25 -55.00 -76.77   50
 52  ω   -118.00 -74.00   0.50    1.34    --  -84.25 -51.00-147.83   88
 53  ω    -99.00 -72.00   0.50    1.34    --  -84.25 -55.00 -14.52   54
 54  ω   -153.00-112.00   0.50    1.34    --  -84.25 -55.00 -14.52   82
 55  ω   -146.00-121.00   0.50    1.34    --  -84.25 -51.00-147.83   50
 56  ω   -105.00 -73.00   0.50    1.34    --  -84.25 -53.00 100.33   64
 57  ω   -155.00-115.00   0.50    1.34    --  -84.25 -53.00 -52.25   80
 58  ω   -137.00-111.00   0.50    1.34    --  -84.25 -51.00 -72.41   52
 59  ω   -108.00 -72.00   0.50    1.34    --  -84.25 -54.00 126.30   72
 60  ω   -100.00 -72.00   0.50    1.34    --  -84.25 -54.00   8.90   56
 61  ω   -156.00-128.00   0.50    1.34    --  -84.25 -54.00 126.30   56
 62  ω   -125.00 -72.00   0.50    1.34    --  -84.25 -55.00-121.80  106
 63  ω   -153.00-122.00   0.50    1.34    --  -84.25 -52.00  21.43   62
 64  ω   -101.00 -76.00   0.50    1.34    --  -84.25 -56.00 142.56   50
 65  ω   -141.00-115.00   0.50    1.34    --  -84.25 -56.00 142.56   52
 66  ω    -98.00 -73.00   0.50    1.34    --  -84.25 -53.00 -52.25   50
 67  ω    -98.00 -73.00   0.50    1.34    --  -84.25 -52.00  21.43   50
 68  ω    -99.00 -73.00   0.50    1.34    --  -84.25 -50.00-176.44   52
 69  ω    -99.00 -73.00   0.50    1.34    --  -84.25 -52.00  78.05   52
 70  ω   -102.00 -72.00   0.50    1.34    --  -84.25 -55.00 150.01   60
 71  ω   -133.00-107.00   0.50    1.34    --  -84.25 -55.00 -76.77   52
 72  ω    -99.00 -72.00   0.50    1.34    --  -84.25 -55.00  45.42   54
 73  ω   -102.00 -76.00   0.50    1.34    --  -84.25 -56.00   4.48   52
 74  ω   -138.00-112.00   0.50    1.34    --  -84.25 -56.00   4.48   52
 75  ω    -62.00 -27.00   0.50    1.34    --  -84.25  57.00  60.00   70
 76  ω   -103.00 -77.00   0.50    1.34    --  -84.25 -56.00 -24.43   52
 77  ω   -100.00 -75.00   0.50    1.34    --  -84.25 -52.00 -91.49   50
 78  ω   -106.00 -72.00   0.50    1.34    --  -84.25 -55.00 174.37   68
 79  ω   -155.00-118.00   0.50    1.34    --  -84.25 -55.00 174.37   74
 80  ω   -102.00 -74.00   0.50    1.34    --  -84.25 -54.00  70.22   56
 81  ω     93.00 166.00   0.50    1.34    --  105.75  57.00 -30.00  146
 82  ω     79.00 104.00   0.50    1.34    --  105.75 -99.00 150.00   50
 83  ω     43.00  69.00   0.50    1.34    --  105.75 -99.00 150.00   52
 84  ω     77.00 106.00   0.50    1.34    --  105.75-125.00 -60.00   58
 85  ω     48.00  73.00   0.50    1.34    --  105.75-125.00 -60.00   50
 86  ω    101.00 153.00   0.50    1.34    --  105.75  57.00   0.00  104
 87  ω     34.00  63.00   0.50    1.34    --  105.75 -57.00   0.00   58
 88  ω     37.00  64.00   0.50    1.34    --  105.75 -57.00 -60.00   54
 89  ω    146.00 172.00   0.50    1.34    --  105.75  19.00 120.00   52
 90  ω     98.00 136.00   0.50    1.34    --  105.75  19.00 120.00   76
 91  ω     77.00 106.00   0.50    1.34    --  105.75 -99.00 -60.00   58
 92  ω     35.00  66.00   0.50    1.34    --  105.75 -57.00  90.00   62
 93  ω     77.00 106.00   0.50    1.34    --  105.75 -99.00  90.00   58
 94  ω     39.00  72.00   0.50    1.34    --  105.75 -99.00  90.00   66
 95  ω     38.00  74.00   0.50    1.34    --  105.75 -99.00 -60.00   72
 96  ω     98.00 163.00   0.50    1.34    --  105.75  38.00 150.00  130
 97  ω     98.00 177.00   0.50    1.34    --  105.75  38.00 -90.00  158
 98  ω     35.00  66.00   0.50    1.34    --  105.75 -57.00 -30.00   62
 99  ω    111.00 136.00   0.50    1.34    --  105.75  77.00   0.00   50
100  ω     36.00  62.00   0.50    1.34    --  105.75 -57.00-180.00   52
101  ω     37.00  67.00   0.50    1.34    --  105.75 -57.00  60.00   60
102  ω     58.00 100.00   0.50    1.34    --  105.75-125.00  30.00   84
103  ω     41.00  67.00   0.50    1.34    --  105.75 -57.00 -90.00   52
104  ω    135.00 165.00   0.50    1.34    --  105.75  57.00  60.00   60
105  ω     41.00  67.00   0.50    1.34    --  105.75 -57.00 150.00   52
106  ω     95.00 129.00   0.50    1.34    --  105.75  57.00  60.00   68
107  ω    127.00 169.00   0.50    1.34    --  105.75  38.00-180.00   84
108  ω     34.00  67.00   0.50    1.34    --  105.75 -57.00 120.00   66
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0272028000
_diffrn_orient_matrix_UB_12      -0.1426189000
_diffrn_orient_matrix_UB_13      0.1087632000
_diffrn_orient_matrix_UB_21      0.0380830000
_diffrn_orient_matrix_UB_22      -0.0691288000
_diffrn_orient_matrix_UB_23      -0.0873877000
_diffrn_orient_matrix_UB_31      0.1619334000
_diffrn_orient_matrix_UB_32      -0.0292940000
_diffrn_orient_matrix_UB_33      0.0167634000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3794
_reflns_number_total             4184
_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 1.171.42.64a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.64a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.64a (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         1.012
_refine_diff_density_min         -1.713
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         4184
_refine_ls_number_restraints     285
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0392
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0417P)²+2.4993P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0939
_refine_ls_wR_factor_ref         0.0961
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
O1A \\sim C1A \\sim C2A \\sim C3A \\sim C4A \\sim C5A \\sim C6A \\sim O1B \\sim
C1B \\sim C2B \\sim C3B \\sim C4B \\sim C5B \\sim C6B: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
3. Rigid body (RIGU) restrains
 O1A, C1A, C2A, C3A, C4A, C5A, C6A, O1B, C1B, C2B, C3B, C4B, C5B, C6B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Same fragment restrains
{O1A, C1A, C2A, C3A, C4A, C5A, C6A} sigma for 1-2: 0.02, 1-3: 0.04
as in
{O1B, C1B, C2B, C3B, C4B, C5B, C6B}
5. Others
 Sof(O1B)=Sof(C1B)=Sof(H1B)=Sof(C2B)=Sof(H2B)=Sof(C3B)=Sof(H3BA)=Sof(H3BB)=
 Sof(C4B)=Sof(H4BA)=Sof(H4BB)=Sof(C5B)=Sof(H5BA)=Sof(H5BB)=Sof(C6B)=Sof(H6BA)=
 Sof(H6BB)=1-FVAR(1)
 Sof(O1A)=Sof(C1A)=Sof(H1A)=Sof(C2A)=Sof(H2A)=Sof(C3A)=Sof(H3AA)=Sof(H3AB)=
 Sof(C4A)=Sof(H4AA)=Sof(H4AB)=Sof(C5A)=Sof(H5AA)=Sof(H5AB)=Sof(C6A)=Sof(H6AA)=
 Sof(H6AB)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C1A(H1A), C2A(H2A), C1B(H1B), C2B(H2B)
6.b Secondary CH2 refined with riding coordinates:
 C3A(H3AA,H3AB), C4A(H4AA,H4AB), C5A(H5AA,H5AB), C6A(H6AA,H6AB), C3B(H3BA,
 H3BB), C4B(H4BA,H4BB), C5B(H5BA,H5BB), C6B(H6BA,H6BB)
6.c Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C15(H15), C16(H16), C22(H22), C23(H23), C25(H25),
 C26(H26), C32(H32), C33(H33), C35(H35), C36(H36)
6.d Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C27(H27A,H27B,H27C), C37(H37A,H37B,H37C)
;
_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
Sb1 Sb 0.36305(3) 0.53428(3) 0.72779(2) 0.03299(11) Uani 1 1 d . . . . .
O2 O 0.5232(4) 0.3770(3) 0.8601(3) 0.0444(8) Uani 1 1 d . . . . .
O1A O 0.4517(6) 0.4052(5) 0.6472(5) 0.0464(16) Uani 0.601(6) 1 d D U P A 1
C1A C 0.5699(9) 0.2745(9) 0.7192(7) 0.0437(19) Uani 0.601(6) 1 d D U P A 1
H1A H 0.643826 0.247674 0.664305 0.052 Uiso 0.601(6) 1 calc R U P A 1
C2A C 0.6409(8) 0.2993(8) 0.8084(7) 0.0441(19) Uani 0.601(6) 1 d D U P A 1
H2A H 0.692688 0.359604 0.759723 0.053 Uiso 0.601(6) 1 calc R U P A 1
C3A C 0.7507(11) 0.1664(10) 0.9030(9) 0.051(3) Uani 0.601(6) 1 d D U P A 1
H3AA H 0.782038 0.186549 0.963899 0.062 Uiso 0.601(6) 1 calc R U P A 1
H3AB H 0.837880 0.128626 0.863744 0.062 Uiso 0.601(6) 1 calc R U P A 1
C4A C 0.6884(12) 0.0550(9) 0.9686(8) 0.058(2) Uani 0.601(6) 1 d D U P A 1
H4AA H 0.765237 -0.033118 1.027361 0.070 Uiso 0.601(6) 1 calc R U P A 1
H4AB H 0.606275 0.088330 1.014135 0.070 Uiso 0.601(6) 1 calc R U P A 1
C5A C 0.6348(10) 0.0294(8) 0.8725(8) 0.049(2) Uani 0.601(6) 1 d D U P A 1
H5AA H 0.717722 -0.004479 0.827938 0.059 Uiso 0.601(6) 1 calc R U P A 1
H5AB H 0.597424 -0.043839 0.913461 0.059 Uiso 0.601(6) 1 calc R U P A 1
C6A C 0.5148(11) 0.1621(9) 0.7830(9) 0.051(2) Uani 0.601(6) 1 d D U P A 1
H6AA H 0.481696 0.142985 0.722088 0.061 Uiso 0.601(6) 1 calc R U P A 1
H6AB H 0.430124 0.194292 0.826925 0.061 Uiso 0.601(6) 1 calc R U P A 1
O1B O 0.3611(9) 0.3682(7) 0.7216(7) 0.042(2) Uani 0.399(6) 1 d D U P A 2
C1B C 0.4732(12) 0.2361(13) 0.8026(10) 0.045(3) Uani 0.399(6) 1 d D U P A 2
H1B H 0.431748 0.164410 0.834359 0.054 Uiso 0.399(6) 1 calc R U P A 2
C2B C 0.5104(13) 0.2551(12) 0.9111(10) 0.047(3) Uani 0.399(6) 1 d D U P A 2
H2B H 0.426116 0.263496 0.961997 0.057 Uiso 0.399(6) 1 calc R U P A 2
C3B C 0.6467(13) 0.1403(14) 0.9912(11) 0.055(3) Uani 0.399(6) 1 d D U P A 2
H3BA H 0.626641 0.057592 1.044129 0.066 Uiso 0.399(6) 1 calc R U P A 2
H3BB H 0.675150 0.171507 1.044525 0.066 Uiso 0.399(6) 1 calc R U P A 2
C4B C 0.7753(14) 0.0979(16) 0.9159(13) 0.050(3) Uani 0.399(6) 1 d D U P A 2
H4BA H 0.806070 0.175654 0.872992 0.060 Uiso 0.399(6) 1 calc R U P A 2
H4BB H 0.859643 0.015295 0.971609 0.060 Uiso 0.399(6) 1 calc R U P A 2
C5B C 0.7307(14) 0.0640(12) 0.8240(12) 0.050(3) Uani 0.399(6) 1 d D U P A 2
H5BA H 0.702648 -0.015550 0.867193 0.060 Uiso 0.399(6) 1 calc R U P A 2
H5BB H 0.814793 0.035603 0.778215 0.060 Uiso 0.399(6) 1 calc R U P A 2
C6B C 0.6020(14) 0.1901(15) 0.7347(11) 0.051(3) Uani 0.399(6) 1 d D U P A 2
H6BA H 0.631533 0.268147 0.687966 0.061 Uiso 0.399(6) 1 calc R U P A 2
H6BB H 0.573953 0.164957 0.676110 0.061 Uiso 0.399(6) 1 calc R U P A 2
C11 C 0.2026(4) 0.6583(4) 0.5711(4) 0.0309(9) Uani 1 1 d . . . . .
C12 C 0.1588(5) 0.8026(4) 0.5169(4) 0.0353(10) Uani 1 1 d . . . . .
H12 H 0.201946 0.842063 0.547815 0.042 Uiso 1 1 calc R U . . .
C13 C 0.0524(5) 0.8894(5) 0.4177(4) 0.0424(11) Uani 1 1 d . . . . .
H13 H 0.024107 0.987636 0.381388 0.051 Uiso 1 1 calc R U . . .
C14 C -0.0126(5) 0.8342(5) 0.3714(4) 0.0429(12) Uani 1 1 d . . . . .
C15 C 0.0321(5) 0.6902(5) 0.4253(4) 0.0438(11) Uani 1 1 d . . . . .
H15 H -0.011260 0.650668 0.394590 0.053 Uiso 1 1 calc R U . . .
C16 C 0.1394(5) 0.6028(5) 0.5238(4) 0.0359(10) Uani 1 1 d . . . . .
H16 H 0.169513 0.504414 0.558784 0.043 Uiso 1 1 calc R U . . .
C17 C -0.1314(6) 0.9297(6) 0.2662(5) 0.0626(17) Uani 1 1 d . . . . .
H17A H -0.211063 0.997715 0.287673 0.094 Uiso 1 1 calc R U . . .
H17B H -0.169199 0.873964 0.248800 0.094 Uiso 1 1 calc R U . . .
H17C H -0.090974 0.979213 0.193789 0.094 Uiso 1 1 calc R U . . .
C21 C 0.4792(4) 0.6629(4) 0.6810(4) 0.0332(9) Uani 1 1 d . . . . .
C22 C 0.4680(5) 0.7373(5) 0.7458(4) 0.0374(10) Uani 1 1 d . . . . .
H22 H 0.406614 0.732635 0.810201 0.045 Uiso 1 1 calc R U . . .
C23 C 0.5463(5) 0.8189(5) 0.7170(4) 0.0419(11) Uani 1 1 d . . . . .
H23 H 0.537338 0.869907 0.761892 0.050 Uiso 1 1 calc R U . . .
C24 C 0.6373(5) 0.8271(5) 0.6236(4) 0.0381(10) Uani 1 1 d . . . . .
C25 C 0.6469(5) 0.7511(5) 0.5597(4) 0.0432(11) Uani 1 1 d . . . . .
H25 H 0.709145 0.754736 0.495821 0.052 Uiso 1 1 calc R U . . .
C26 C 0.5685(5) 0.6706(5) 0.5864(4) 0.0420(11) Uani 1 1 d . . . . .
H26 H 0.575694 0.621013 0.540551 0.050 Uiso 1 1 calc R U . . .
C27 C 0.7185(5) 0.9180(5) 0.5904(5) 0.0471(12) Uani 1 1 d . . . . .
H27A H 0.662926 1.008424 0.522013 0.071 Uiso 1 1 calc R U . . .
H27B H 0.814724 0.872335 0.566863 0.071 Uiso 1 1 calc R U . . .
H27C H 0.731088 0.932616 0.660761 0.071 Uiso 1 1 calc R U . . .
C31 C 0.2238(5) 0.5739(5) 0.8608(4) 0.0368(10) Uani 1 1 d . . . . .
C32 C 0.0746(5) 0.6526(5) 0.8318(4) 0.0409(11) Uani 1 1 d . . . . .
H32 H 0.032330 0.688240 0.751513 0.049 Uiso 1 1 calc R U . . .
C33 C -0.0141(6) 0.6797(5) 0.9200(5) 0.0471(12) Uani 1 1 d . . . . .
H33 H -0.116444 0.733920 0.899088 0.057 Uiso 1 1 calc R U . . .
C34 C 0.0453(6) 0.6285(5) 1.0383(5) 0.0470(12) Uani 1 1 d . . . . .
C35 C 0.1939(6) 0.5502(7) 1.0659(5) 0.0598(15) Uani 1 1 d . . . . .
H35 H 0.236317 0.515080 1.146046 0.072 Uiso 1 1 calc R U . . .
C36 C 0.2831(6) 0.5216(6) 0.9791(4) 0.0531(14) Uani 1 1 d . . . . .
H36 H 0.385146 0.465896 1.000730 0.064 Uiso 1 1 calc R U . . .
C37 C -0.0491(7) 0.6571(7) 1.1353(5) 0.0623(16) Uani 1 1 d . . . . .
H37A H -0.037337 0.729955 1.147256 0.093 Uiso 1 1 calc R U . . .
H37B H -0.019250 0.571224 1.212026 0.093 Uiso 1 1 calc R U . . .
H37C H -0.151874 0.688580 1.109265 0.093 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 O2 2.017(3) . ?
Sb1 O1A 2.018(5) . ?
Sb1 O1B 1.985(8) . ?
Sb1 C11 2.157(4) . ?
Sb1 C21 2.130(4) . ?
Sb1 C31 2.124(5) . ?
O2 C2A 1.448(9) . ?
O2 C2B 1.339(13) . ?
O1A C1A 1.433(9) . ?
C1A H1A 1.0000 . ?
C1A C2A 1.551(11) . ?
C1A C6A 1.504(11) . ?
C2A H2A 1.0000 . ?
C2A C3A 1.495(11) . ?
C3A H3AA 0.9900 . ?
C3A H3AB 0.9900 . ?
C3A C4A 1.547(12) . ?
C4A H4AA 0.9900 . ?
C4A H4AB 0.9900 . ?
C4A C5A 1.532(12) . ?
C5A H5AA 0.9900 . ?
C5A H5AB 0.9900 . ?
C5A C6A 1.514(11) . ?
C6A H6AA 0.9900 . ?
C6A H6AB 0.9900 . ?
O1B C1B 1.443(12) . ?
C1B H1B 1.0000 . ?
C1B C2B 1.548(15) . ?
C1B C6B 1.506(14) . ?
C2B H2B 1.0000 . ?
C2B C3B 1.497(13) . ?
C3B H3BA 0.9900 . ?
C3B H3BB 0.9900 . ?
C3B C4B 1.552(15) . ?
C4B H4BA 0.9900 . ?
C4B H4BB 0.9900 . ?
C4B C5B 1.510(16) . ?
C5B H5BA 0.9900 . ?
C5B H5BB 0.9900 . ?
C5B C6B 1.530(14) . ?
C6B H6BA 0.9900 . ?
C6B H6BB 0.9900 . ?
C11 C12 1.392(6) . ?
C11 C16 1.383(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.392(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.387(7) . ?
C14 C15 1.388(7) . ?
C14 C17 1.512(6) . ?
C15 H15 0.9500 . ?
C15 C16 1.393(6) . ?
C16 H16 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C21 C22 1.383(6) . ?
C21 C26 1.389(6) . ?
C22 H22 0.9500 . ?
C22 C23 1.390(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.389(7) . ?
C24 C25 1.394(7) . ?
C24 C27 1.497(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.384(7) . ?
C26 H26 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C31 C32 1.383(6) . ?
C31 C36 1.390(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.394(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.393(7) . ?
C34 C35 1.376(8) . ?
C34 C37 1.513(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.388(7) . ?
C36 H36 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 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
O2 Sb1 O1A 81.10(17) . . ?
O2 Sb1 C11 164.28(15) . . ?
O2 Sb1 C21 90.67(15) . . ?
O2 Sb1 C31 90.63(15) . . ?
O1A Sb1 C11 84.05(18) . . ?
O1A Sb1 C21 107.2(2) . . ?
O1A Sb1 C31 145.1(2) . . ?
O1B Sb1 O2 78.7(2) . . ?
O1B Sb1 C11 86.4(2) . . ?
O1B Sb1 C21 144.1(3) . . ?
O1B Sb1 C31 107.5(3) . . ?
C21 Sb1 C11 98.68(16) . . ?
C31 Sb1 C11 98.67(16) . . ?
C31 Sb1 C21 106.70(17) . . ?
C2A O2 Sb1 110.1(3) . . ?
C2B O2 Sb1 114.7(5) . . ?
C1A O1A Sb1 115.0(5) . . ?
O1A C1A H1A 108.8 . . ?
O1A C1A C2A 106.8(7) . . ?
O1A C1A C6A 110.3(7) . . ?
C2A C1A H1A 108.8 . . ?
C6A C1A H1A 108.8 . . ?
C6A C1A C2A 113.2(7) . . ?
O2 C2A C1A 107.2(6) . . ?
O2 C2A H2A 107.9 . . ?
O2 C2A C3A 113.1(7) . . ?
C1A C2A H2A 107.9 . . ?
C3A C2A C1A 112.6(7) . . ?
C3A C2A H2A 107.9 . . ?
C2A C3A H3AA 109.2 . . ?
C2A C3A H3AB 109.2 . . ?
C2A C3A C4A 112.1(8) . . ?
H3AA C3A H3AB 107.9 . . ?
C4A C3A H3AA 109.2 . . ?
C4A C3A H3AB 109.2 . . ?
C3A C4A H4AA 110.0 . . ?
C3A C4A H4AB 110.0 . . ?
H4AA C4A H4AB 108.4 . . ?
C5A C4A C3A 108.5(8) . . ?
C5A C4A H4AA 110.0 . . ?
C5A C4A H4AB 110.0 . . ?
C4A C5A H5AA 109.4 . . ?
C4A C5A H5AB 109.4 . . ?
H5AA C5A H5AB 108.0 . . ?
C6A C5A C4A 111.1(7) . . ?
C6A C5A H5AA 109.4 . . ?
C6A C5A H5AB 109.4 . . ?
C1A C6A C5A 110.2(8) . . ?
C1A C6A H6AA 109.6 . . ?
C1A C6A H6AB 109.6 . . ?
C5A C6A H6AA 109.6 . . ?
C5A C6A H6AB 109.6 . . ?
H6AA C6A H6AB 108.1 . . ?
C1B O1B Sb1 114.7(7) . . ?
O1B C1B H1B 108.4 . . ?
O1B C1B C2B 106.9(10) . . ?
O1B C1B C6B 110.4(9) . . ?
C2B C1B H1B 108.4 . . ?
C6B C1B H1B 108.4 . . ?
C6B C1B C2B 114.2(10) . . ?
O2 C2B C1B 104.9(9) . . ?
O2 C2B H2B 108.8 . . ?
O2 C2B C3B 110.4(11) . . ?
C1B C2B H2B 108.8 . . ?
C3B C2B C1B 115.0(10) . . ?
C3B C2B H2B 108.8 . . ?
C2B C3B H3BA 109.2 . . ?
C2B C3B H3BB 109.2 . . ?
C2B C3B C4B 112.0(10) . . ?
H3BA C3B H3BB 107.9 . . ?
C4B C3B H3BA 109.2 . . ?
C4B C3B H3BB 109.2 . . ?
C3B C4B H4BA 109.5 . . ?
C3B C4B H4BB 109.5 . . ?
H4BA C4B H4BB 108.1 . . ?
C5B C4B C3B 110.8(12) . . ?
C5B C4B H4BA 109.5 . . ?
C5B C4B H4BB 109.5 . . ?
C4B C5B H5BA 109.4 . . ?
C4B C5B H5BB 109.4 . . ?
C4B C5B C6B 111.1(11) . . ?
H5BA C5B H5BB 108.0 . . ?
C6B C5B H5BA 109.4 . . ?
C6B C5B H5BB 109.4 . . ?
C1B C6B C5B 110.3(10) . . ?
C1B C6B H6BA 109.6 . . ?
C1B C6B H6BB 109.6 . . ?
C5B C6B H6BA 109.6 . . ?
C5B C6B H6BB 109.6 . . ?
H6BA C6B H6BB 108.1 . . ?
C12 C11 Sb1 117.5(3) . . ?
C16 C11 Sb1 123.8(3) . . ?
C16 C11 C12 118.8(4) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.6(4) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 119.6 . . ?
C14 C13 C12 120.7(4) . . ?
C14 C13 H13 119.6 . . ?
C13 C14 C15 118.4(4) . . ?
C13 C14 C17 120.4(5) . . ?
C15 C14 C17 121.2(5) . . ?
C14 C15 H15 119.5 . . ?
C14 C15 C16 121.0(5) . . ?
C16 C15 H15 119.5 . . ?
C11 C16 C15 120.5(4) . . ?
C11 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C22 C21 Sb1 120.2(3) . . ?
C22 C21 C26 119.7(4) . . ?
C26 C21 Sb1 120.1(4) . . ?
C21 C22 H22 119.9 . . ?
C21 C22 C23 120.2(4) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.5 . . ?
C24 C23 C22 121.1(4) . . ?
C24 C23 H23 119.5 . . ?
C23 C24 C25 117.7(4) . . ?
C23 C24 C27 121.1(5) . . ?
C25 C24 C27 121.3(4) . . ?
C24 C25 H25 119.0 . . ?
C26 C25 C24 121.9(4) . . ?
C26 C25 H25 119.0 . . ?
C21 C26 H26 120.3 . . ?
C25 C26 C21 119.4(5) . . ?
C25 C26 H26 120.3 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C32 C31 Sb1 121.3(3) . . ?
C32 C31 C36 118.9(4) . . ?
C36 C31 Sb1 119.7(4) . . ?
C31 C32 H32 119.9 . . ?
C31 C32 C33 120.2(4) . . ?
C33 C32 H32 119.9 . . ?
C32 C33 H33 119.5 . . ?
C34 C33 C32 120.9(5) . . ?
C34 C33 H33 119.5 . . ?
C33 C34 C37 121.7(5) . . ?
C35 C34 C33 118.2(5) . . ?
C35 C34 C37 120.1(5) . . ?
C34 C35 H35 119.3 . . ?
C34 C35 C36 121.4(5) . . ?
C36 C35 H35 119.3 . . ?
C31 C36 H36 119.8 . . ?
C35 C36 C31 120.3(5) . . ?
C35 C36 H36 119.8 . . ?
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 . . ?

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 O2 C2A C1A -44.9(6) . . . . ?
Sb1 O2 C2A C3A -169.7(6) . . . . ?
Sb1 O2 C2B C1B 45.5(9) . . . . ?
Sb1 O2 C2B C3B 169.9(7) . . . . ?
Sb1 O1A C1A C2A -26.6(8) . . . . ?
Sb1 O1A C1A C6A 96.8(7) . . . . ?
Sb1 O1B C1B C2B 27.4(11) . . . . ?
Sb1 O1B C1B C6B -97.4(12) . . . . ?
Sb1 C11 C12 C13 -178.0(3) . . . . ?
Sb1 C11 C16 C15 177.3(3) . . . . ?
Sb1 C21 C22 C23 178.6(3) . . . . ?
Sb1 C21 C26 C25 -177.9(3) . . . . ?
Sb1 C31 C32 C33 -178.6(4) . . . . ?
Sb1 C31 C36 C35 178.0(5) . . . . ?
O2 C2A C3A C4A 70.8(10) . . . . ?
O2 C2B C3B C4B -73.5(15) . . . . ?
O1A C1A C2A O2 45.8(8) . . . . ?
O1A C1A C2A C3A 170.8(7) . . . . ?
O1A C1A C6A C5A -172.1(7) . . . . ?
C1A C2A C3A C4A -51.0(11) . . . . ?
C2A C1A C6A C5A -52.5(10) . . . . ?
C2A C3A C4A C5A 56.6(11) . . . . ?
C3A C4A C5A C6A -60.8(11) . . . . ?
C4A C5A C6A C1A 59.5(11) . . . . ?
C6A C1A C2A O2 -75.8(8) . . . . ?
C6A C1A C2A C3A 49.2(10) . . . . ?
O1B C1B C2B O2 -45.7(11) . . . . ?
O1B C1B C2B C3B -167.1(11) . . . . ?
O1B C1B C6B C5B 170.3(11) . . . . ?
C1B C2B C3B C4B 45.0(17) . . . . ?
C2B C1B C6B C5B 49.8(17) . . . . ?
C2B C3B C4B C5B -53.0(17) . . . . ?
C3B C4B C5B C6B 60.1(16) . . . . ?
C4B C5B C6B C1B -58.5(17) . . . . ?
C6B C1B C2B O2 76.7(12) . . . . ?
C6B C1B C2B C3B -44.7(16) . . . . ?
C11 C12 C13 C14 0.4(7) . . . . ?
C12 C11 C16 C15 -1.2(6) . . . . ?
C12 C13 C14 C15 -0.8(7) . . . . ?
C12 C13 C14 C17 178.1(5) . . . . ?
C13 C14 C15 C16 0.2(7) . . . . ?
C14 C15 C16 C11 0.8(7) . . . . ?
C16 C11 C12 C13 0.6(6) . . . . ?
C17 C14 C15 C16 -178.7(4) . . . . ?
C21 C22 C23 C24 -0.3(7) . . . . ?
C22 C21 C26 C25 1.0(7) . . . . ?
C22 C23 C24 C25 0.2(7) . . . . ?
C22 C23 C24 C27 178.4(4) . . . . ?
C23 C24 C25 C26 0.5(7) . . . . ?
C24 C25 C26 C21 -1.1(7) . . . . ?
C26 C21 C22 C23 -0.3(7) . . . . ?
C27 C24 C25 C26 -177.7(4) . . . . ?
C31 C32 C33 C34 0.0(8) . . . . ?
C32 C31 C36 C35 -1.2(8) . . . . ?
C32 C33 C34 C35 -0.1(8) . . . . ?
C32 C33 C34 C37 179.9(5) . . . . ?
C33 C34 C35 C36 -0.5(9) . . . . ?
C34 C35 C36 C31 1.1(9) . . . . ?
C36 C31 C32 C33 0.6(7) . . . . ?
C37 C34 C35 C36 179.6(6) . . . . ?

_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 1.679
_oxdiff_exptl_absorpt_empirical_full_min 0.512
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2265794'
loop_
_audit_author_name
_audit_author_address
'Timothy Johnstone'
;University of California, Santa Cruz
United States of America
;
_audit_update_record             
;
2023-05-27 deposited with the CCDC.	2023-06-20 downloaded from the CCDC.
;
_audit_creation_date             2022-12-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H33 O2 Sb'
_chemical_formula_sum            'C27 H33 O2 Sb'
_chemical_formula_weight         511.28
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Sb C27 H33 O2'
_chemical_oxdiff_usercomment     BLK0487
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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                   9.82520(10)
_cell_length_b                   11.8813(2)
_cell_length_c                   20.2807(3)
_cell_angle_alpha                90
_cell_angle_beta                 90.7870(10)
_cell_angle_gamma                90
_cell_volume                     2367.27(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    20528
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      76.6150
_cell_measurement_theta_min      4.2790
_shelx_estimated_absorpt_T_max   0.603
_shelx_estimated_absorpt_T_min   0.315
_exptl_absorpt_coefficient_mu    9.388
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.746
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.75a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1048
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 0 -1 0.0286
-2 0 1 0.0471
-2 -1 -2 0.0411
2 1 2 0.0210
-1 0 1 0.0497
-1 -1 -2 0.0358
1 1 2 0.0358
0 -1 -2 0.0454
-2 -1 1 0.0510
-1 -2 -2 0.0526
1 2 2 0.0526
-1 -2 -1 0.0574
-2 -2 1 0.0531
0 1 1 0.0648
2 1 -2 0.0361
-1 1 2 0.0520
-2 -1 2 0.0529
0 2 1 0.0701
-1 -2 1 0.0654
0 -1 0 0.0812
1 2 -2 0.0447
-1 -2 2 0.0692
2 -1 -2 0.0332
0 1 -2 0.0463
1 0 -2 0.0287
-1 0 2 0.0515
-1 1 -1 0.0529
1 -1 2 0.0792
0 0 1 0.0541
0 0 -1 0.0323
-1 0 -2 0.0442

_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
2.0006 0.0000 -0.9992 0.0650 -0.1049 -0.2971
-2.0006 -0.0000 0.9992 -0.0650 0.1049 0.2971
-2.0010 -0.9994 -2.0003 -0.2347 0.2457 0.1555
2.0010 0.9994 2.0003 0.2347 -0.2457 -0.1555
-1.0003 -0.0001 0.9995 -0.0246 0.0222 0.1701
-1.0006 -0.9995 -2.0000 -0.1944 0.1630 0.0285
1.0006 0.9995 2.0000 0.1944 -0.1630 -0.0285
-0.0003 -0.9996 -1.9996 -0.1540 0.0802 -0.0985
-2.0009 -1.0001 0.9993 -0.1874 0.0641 0.2848
-1.0009 -1.9996 -1.9998 -0.3168 0.1221 0.0162
1.0009 1.9996 1.9998 0.3168 -0.1221 -0.0162
-1.0008 -1.9998 -1.0000 -0.3010 0.0616 0.0593
-2.0011 -2.0002 0.9994 -0.3098 0.0233 0.2725
0.0003 0.9998 0.9997 0.1382 -0.0197 0.0554
2.0008 1.0004 -1.9991 0.1716 -0.0036 -0.3279
-1.0000 0.9997 1.9993 0.1136 0.0025 0.2255
-2.0008 -1.0004 1.9991 -0.1716 0.0036 0.3279
0.0005 1.9999 0.9996 0.2606 0.0211 0.0677
-1.0008 -2.0003 0.9997 -0.2695 -0.0595 0.1455
-0.0002 -1.0001 0.0001 -0.1224 -0.0408 -0.0123
1.0007 2.0005 -1.9996 0.2537 0.1200 -0.1886
-1.0007 -2.0005 1.9996 -0.2537 -0.1200 0.1886
2.0004 -0.9998 -1.9989 -0.0732 -0.0852 -0.3526
0.0002 1.0006 -1.9998 0.0909 0.1619 -0.0739
1.0003 0.0004 -1.9994 0.0088 0.0383 -0.2132
-1.0003 -0.0004 1.9994 -0.0088 -0.0383 0.2132
-1.0001 1.0004 -1.0003 0.0663 0.1841 0.0962
1.0002 -1.0007 2.0002 -0.0505 -0.2446 -0.0531
0.0000 -0.0002 0.9999 0.0158 -0.0605 0.0431
-0.0000 0.0002 -0.9999 -0.0158 0.0605 -0.0431
-1.0004 0.0006 -2.0001 -0.0719 0.2038 0.0408

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0516
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            33440
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.074
_diffrn_reflns_theta_min         4.313
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_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    -41.00 -15.00   0.50    0.30    --  -84.25  38.00-180.00   52
  2  ω    -42.00 -17.00   0.50    0.30    --  -84.25  38.00-120.00   50
  3  ω    -43.00 -12.00   0.50    0.30    --  -84.25  57.00 -90.00   62
  4  ω    -39.00 -13.00   0.50    0.30    --  -84.25  38.00   0.00   52
  5  ω    -40.00 -13.00   0.50    0.30    --  -84.25  38.00  30.00   54
  6  ω    -42.00 -16.00   0.50    0.30    --  -84.25  38.00  60.00   52
  7  ω     84.00 120.00   0.50    0.08    --   49.41  57.00-150.00   72
  8  ω     85.00 120.00   0.50    0.08    --   49.41  57.00-180.00   70
  9  ω    105.00 178.00   0.50    0.30    --  105.75  19.00-120.00  146
 10  ω     98.00 176.00   0.50    0.30    --  105.75  38.00 -30.00  156
 11  ω     98.00 178.00   0.50    0.30    --  105.75  19.00  60.00  160
 12  ω     87.00 121.00   0.50    0.08    --   49.41  57.00 -30.00   68
 13  ω     78.00 137.00   0.50    0.30    --  105.75 151.00  40.00  118
 14  ω     96.00 129.00   0.50    0.30    --  105.75 123.00-121.00   66
 15  ω     34.00  70.00   0.50    0.30    --  105.75 -77.00 -60.00   72
 16  ω     34.00  63.00   0.50    0.30    --  105.75 -57.00-180.00   58
 17  ω     79.00 104.00   0.50    0.30    --  105.75 -77.00 -60.00   50
 18  ω     35.00  67.00   0.50    0.30    --  105.75 -57.00   0.00   64
 19  ω     37.00  63.00   0.50    0.30    --  105.75 -57.00  30.00   52
 20  ω     34.00  59.00   0.50    0.30    --  105.75 -57.00 -30.00   50
 21  ω     34.00  67.00   0.50    0.30    --  105.75 -57.00  90.00   66
 22  ω     35.00  61.00   0.50    0.30    --  105.75 -57.00 120.00   52
 23  ω     34.00  67.00   0.50    0.30    --  105.75 -57.00 150.00   66
 24  ω     57.00 102.00   0.50    0.30    --  105.75 -99.00 150.00   90
 25  ω     86.00 111.00   0.50    0.30    --  105.75-125.00 120.00   50
 26  ω     40.00  71.00   0.50    0.30    --  105.75-125.00 120.00   62
 27  ω     38.00  72.00   0.50    0.30    --  105.75-125.00  90.00   68
 28  ω     56.00 108.00   0.50    0.08    --   49.41-151.00  -3.00  104
 29  ω     59.00 109.00   0.50    0.30    --  105.75-125.00-120.00  100
 30  ω     37.00 105.00   0.50    0.30    --  105.75-125.00 -90.00  136
 31  ω    100.00 130.00   0.50    0.30    --  105.75-151.00  -3.00   60
 32  ω     77.00 106.00   0.50    0.30    --  105.75-125.00  90.00   58
 33  ω     68.00 106.00   0.50    0.30    --  105.75 -99.00  90.00   76
 34  ω     49.00 100.00   0.50    0.30    --  105.75-123.00 158.00  102
 35  ω     33.00  82.00   0.50    0.08    --   49.41-123.00 158.00   98
 36  ω     55.00  80.00   0.50    0.30    --  105.75 -99.00  60.00   50
 37  ω     65.00 106.00   0.50    0.30    --  105.75 -99.00 -30.00   82
 38  ω     46.00 106.00   0.50    0.30    --  105.75 -99.00 -90.00  120
 39  ω   -111.00 -82.00   0.50    0.08    --  -49.41 -57.00 -30.00   58
 40  ω   -119.00 -94.00   0.50    0.08    --  -49.41 -57.00  90.00   50
 41  ω   -121.00 -82.00   0.50    0.08    --  -49.41 -57.00   0.00   78
 42  ω   -120.00 -83.00   0.50    0.08    --  -49.41 -57.00 -60.00   74
 43  ω   -120.00 -91.00   0.50    0.08    --  -49.41 -57.00-120.00   58
 44  ω   -111.00 -86.00   0.50    0.08    --  -49.41 -57.00-180.00   50
 45  ω   -141.00-115.00   0.50    0.30    --  -84.25 -77.00-180.00   52
 46  ω   -118.00 -93.00   0.50    0.08    --  -49.41-125.00-180.00   50
 47  ω   -118.00 -57.00   0.50    0.08    --  -49.41-151.00  -3.00  122
 48  ω   -114.00 -75.00   0.50    0.30    --  -84.25-151.00  -3.00   78
 49  ω   -127.00 -98.00   0.50    0.30    --  -84.25-123.00 158.00   58
 50  ω   -118.00 -93.00   0.50    0.08    --  -49.41-125.00  90.00   50
 51  ω    -89.00 -64.00   0.50    0.08    --  -49.41 151.00  40.00   50
 52  ω    -90.00 -65.00   0.50    0.30    --  -84.25 151.00  40.00   50
 53  ω    -61.00 -16.00   0.50    0.08    --  -49.41 123.00-121.00   90
 54  ω    -74.00 -49.00   0.50    0.30    --  -84.25 123.00-121.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0403659000
_diffrn_orient_matrix_UB_12      0.1224160000
_diffrn_orient_matrix_UB_13      0.0158088000
_diffrn_orient_matrix_UB_21      -0.0826842000
_diffrn_orient_matrix_UB_22      0.0408466000
_diffrn_orient_matrix_UB_23      -0.0605322000
_diffrn_orient_matrix_UB_31      -0.1269925000
_diffrn_orient_matrix_UB_32      0.0123550000
_diffrn_orient_matrix_UB_33      0.0431111000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4118
_reflns_number_total             4482
_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 1.171.42.75a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.75a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.75a (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         0.629
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         4482
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0261
_refine_ls_R_factor_gt           0.0237
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0330P)²+1.1542P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0614
_refine_ls_wR_factor_ref         0.0628
_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:
 C12(H12), C13(H13), C15(H15), C16(H16), C22(H22), C23(H23), C25(H25),
 C26(H26), C32(H32), C33(H33), C35(H35), C36(H36)
2.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C17(H17A,
 H17B,H17C), C27(H27A,H27B,H27C), C37(H37A,H37B,H37C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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 0.34658(2) 0.41988(2) 0.64130(2) 0.01891(7) Uani 1 1 d . . . . .
O1 O 0.52605(15) 0.49527(14) 0.63753(8) 0.0268(3) Uani 1 1 d . . . . .
O2 O 0.45009(15) 0.32270(13) 0.70639(8) 0.0239(3) Uani 1 1 d . . . . .
C1 C 0.6239(2) 0.4601(2) 0.68671(12) 0.0241(5) Uani 1 1 d . . . . .
C2 C 0.6069(3) 0.5370(2) 0.74631(14) 0.0363(6) Uani 1 1 d . . . . .
H2A H 0.605041 0.615591 0.731729 0.054 Uiso 1 1 calc R U . . .
H2B H 0.683317 0.525743 0.777175 0.054 Uiso 1 1 calc R U . . .
H2C H 0.521429 0.518915 0.768299 0.054 Uiso 1 1 calc R U . . .
C3 C 0.7651(2) 0.4770(2) 0.65736(14) 0.0340(6) Uani 1 1 d . . . . .
H3A H 0.768860 0.439797 0.614290 0.051 Uiso 1 1 calc R U . . .
H3B H 0.834128 0.444316 0.686975 0.051 Uiso 1 1 calc R U . . .
H3C H 0.782659 0.557631 0.652018 0.051 Uiso 1 1 calc R U . . .
C4 C 0.5938(2) 0.3346(2) 0.70443(11) 0.0233(5) Uani 1 1 d . . . . .
C5 C 0.6502(3) 0.2996(2) 0.77159(12) 0.0304(5) Uani 1 1 d . . . . .
H5A H 0.605039 0.342952 0.806106 0.046 Uiso 1 1 calc R U . . .
H5B H 0.748314 0.314188 0.773507 0.046 Uiso 1 1 calc R U . . .
H5C H 0.633478 0.219152 0.778427 0.046 Uiso 1 1 calc R U . . .
C6 C 0.6493(2) 0.2535(2) 0.65259(13) 0.0309(5) Uani 1 1 d . . . . .
H6A H 0.616526 0.177230 0.661555 0.046 Uiso 1 1 calc R U . . .
H6B H 0.748996 0.254402 0.654385 0.046 Uiso 1 1 calc R U . . .
H6C H 0.617824 0.277170 0.608665 0.046 Uiso 1 1 calc R U . . .
C11 C 0.2596(2) 0.55764(19) 0.58633(11) 0.0221(5) Uani 1 1 d . . . . .
C12 C 0.3328(2) 0.6476(2) 0.56073(11) 0.0244(5) Uani 1 1 d . . . . .
H12 H 0.427413 0.654134 0.570272 0.029 Uiso 1 1 calc R U . . .
C13 C 0.2688(2) 0.7275(2) 0.52147(12) 0.0266(5) Uani 1 1 d . . . . .
H13 H 0.320545 0.788352 0.504567 0.032 Uiso 1 1 calc R U . . .
C14 C 0.1298(2) 0.7209(2) 0.50613(11) 0.0268(5) Uani 1 1 d . . . . .
C15 C 0.0568(2) 0.6325(2) 0.53311(12) 0.0275(5) Uani 1 1 d . . . . .
H15 H -0.038267 0.627136 0.524544 0.033 Uiso 1 1 calc R U . . .
C16 C 0.1199(2) 0.5519(2) 0.57226(12) 0.0258(5) Uani 1 1 d . . . . .
H16 H 0.067698 0.491967 0.589803 0.031 Uiso 1 1 calc R U . . .
C17 C 0.0591(3) 0.8051(2) 0.46174(13) 0.0368(6) Uani 1 1 d . . . . .
H17A H 0.049889 0.773752 0.417214 0.055 Uiso 1 1 calc R U . . .
H17B H 0.112948 0.874522 0.460159 0.055 Uiso 1 1 calc R U . . .
H17C H -0.031296 0.821859 0.479009 0.055 Uiso 1 1 calc R U . . .
C21 C 0.1922(2) 0.42025(18) 0.71467(12) 0.0214(5) Uani 1 1 d . . . . .
C22 C 0.1544(2) 0.3225(2) 0.74777(12) 0.0258(5) Uani 1 1 d . . . . .
H22 H 0.191486 0.251994 0.735168 0.031 Uiso 1 1 calc R U . . .
C23 C 0.0625(2) 0.3280(2) 0.79914(12) 0.0273(5) Uani 1 1 d . . . . .
H23 H 0.035760 0.260793 0.820753 0.033 Uiso 1 1 calc R U . . .
C24 C 0.0091(2) 0.4306(2) 0.81937(12) 0.0265(5) Uani 1 1 d . . . . .
C25 C 0.0473(2) 0.5277(2) 0.78630(11) 0.0252(5) Uani 1 1 d . . . . .
H25 H 0.011637 0.598354 0.799574 0.030 Uiso 1 1 calc R U . . .
C26 C 0.1370(2) 0.5229(2) 0.73416(11) 0.0234(5) Uani 1 1 d . . . . .
H26 H 0.160874 0.589915 0.711568 0.028 Uiso 1 1 calc R U . . .
C27 C -0.0841(3) 0.4378(2) 0.87789(13) 0.0348(6) Uani 1 1 d . . . . .
H27A H -0.029420 0.442529 0.918573 0.052 Uiso 1 1 calc R U . . .
H27B H -0.141743 0.370539 0.879259 0.052 Uiso 1 1 calc R U . . .
H27C H -0.141541 0.504906 0.873767 0.052 Uiso 1 1 calc R U . . .
C31 C 0.3292(2) 0.29574(19) 0.56671(11) 0.0215(4) Uani 1 1 d . . . . .
C32 C 0.3197(2) 0.3290(2) 0.50049(11) 0.0232(4) Uani 1 1 d . . . . .
H32 H 0.311830 0.406623 0.489782 0.028 Uiso 1 1 calc R U . . .
C33 C 0.3218(2) 0.2494(2) 0.45051(11) 0.0251(5) Uani 1 1 d . . . . .
H33 H 0.315777 0.273550 0.405906 0.030 Uiso 1 1 calc R U . . .
C34 C 0.3326(2) 0.1347(2) 0.46422(12) 0.0246(5) Uani 1 1 d . . . . .
C35 C 0.3400(2) 0.1020(2) 0.53041(13) 0.0275(5) Uani 1 1 d . . . . .
H35 H 0.345951 0.024247 0.540996 0.033 Uiso 1 1 calc R U . . .
C36 C 0.3388(2) 0.1807(2) 0.58091(12) 0.0251(5) Uani 1 1 d . . . . .
H36 H 0.344433 0.156299 0.625472 0.030 Uiso 1 1 calc R U . . .
C37 C 0.3394(3) 0.0497(2) 0.40940(13) 0.0327(5) Uani 1 1 d . . . . .
H37A H 0.384633 -0.018607 0.425571 0.049 Uiso 1 1 calc R U . . .
H37B H 0.390977 0.081212 0.372722 0.049 Uiso 1 1 calc R U . . .
H37C H 0.246978 0.031207 0.394183 0.049 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 O1 1.9802(15) . ?
Sb1 O2 2.0182(16) . ?
Sb1 C11 2.151(2) . ?
Sb1 C21 2.139(2) . ?
Sb1 C31 2.118(2) . ?
O1 C1 1.438(3) . ?
O2 C4 1.420(3) . ?
C1 C2 1.526(3) . ?
C1 C3 1.530(3) . ?
C1 C4 1.563(3) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.521(3) . ?
C4 C6 1.531(3) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C11 C12 1.393(3) . ?
C11 C16 1.399(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.385(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.399(3) . ?
C14 C15 1.389(4) . ?
C14 C17 1.509(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.384(4) . ?
C16 H16 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C21 C22 1.394(3) . ?
C21 C26 1.394(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.389(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.391(4) . ?
C24 C25 1.389(3) . ?
C24 C27 1.511(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.387(3) . ?
C26 H26 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C31 C32 1.402(3) . ?
C31 C36 1.400(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.387(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.394(3) . ?
C34 C35 1.398(4) . ?
C34 C37 1.504(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.387(4) . ?
C36 H36 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 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
O1 Sb1 O2 80.97(6) . . ?
O1 Sb1 C11 89.06(8) . . ?
O1 Sb1 C21 131.77(8) . . ?
O1 Sb1 C31 110.52(7) . . ?
O2 Sb1 C11 165.35(8) . . ?
O2 Sb1 C21 84.37(8) . . ?
O2 Sb1 C31 95.95(8) . . ?
C21 Sb1 C11 94.49(8) . . ?
C31 Sb1 C11 97.60(9) . . ?
C31 Sb1 C21 116.57(8) . . ?
C1 O1 Sb1 115.40(13) . . ?
C4 O2 Sb1 114.66(13) . . ?
O1 C1 C2 107.22(19) . . ?
O1 C1 C3 107.04(18) . . ?
O1 C1 C4 108.05(17) . . ?
C2 C1 C3 109.8(2) . . ?
C2 C1 C4 111.5(2) . . ?
C3 C1 C4 112.95(19) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O2 C4 C1 107.01(17) . . ?
O2 C4 C5 107.33(18) . . ?
O2 C4 C6 108.69(19) . . ?
C5 C4 C1 113.48(19) . . ?
C5 C4 C6 108.3(2) . . ?
C6 C4 C1 111.81(19) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C12 C11 Sb1 124.98(17) . . ?
C12 C11 C16 118.1(2) . . ?
C16 C11 Sb1 116.78(17) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.5(2) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 119.2 . . ?
C12 C13 C14 121.6(2) . . ?
C14 C13 H13 119.2 . . ?
C13 C14 C17 122.4(2) . . ?
C15 C14 C13 117.6(2) . . ?
C15 C14 C17 120.0(2) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 C14 121.3(2) . . ?
C16 C15 H15 119.4 . . ?
C11 C16 H16 119.5 . . ?
C15 C16 C11 120.9(2) . . ?
C15 C16 H16 119.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C22 C21 Sb1 121.96(16) . . ?
C26 C21 Sb1 118.78(16) . . ?
C26 C21 C22 119.0(2) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.1(2) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.5 . . ?
C22 C23 C24 120.9(2) . . ?
C24 C23 H23 119.5 . . ?
C23 C24 C27 121.0(2) . . ?
C25 C24 C23 118.7(2) . . ?
C25 C24 C27 120.2(2) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 C24 120.8(2) . . ?
C26 C25 H25 119.6 . . ?
C21 C26 H26 119.8 . . ?
C25 C26 C21 120.4(2) . . ?
C25 C26 H26 119.8 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C32 C31 Sb1 119.43(17) . . ?
C36 C31 Sb1 121.92(17) . . ?
C36 C31 C32 118.4(2) . . ?
C31 C32 H32 119.8 . . ?
C33 C32 C31 120.4(2) . . ?
C33 C32 H32 119.8 . . ?
C32 C33 H33 119.2 . . ?
C32 C33 C34 121.5(2) . . ?
C34 C33 H33 119.2 . . ?
C33 C34 C35 117.8(2) . . ?
C33 C34 C37 120.8(2) . . ?
C35 C34 C37 121.4(2) . . ?
C34 C35 H35 119.3 . . ?
C36 C35 C34 121.4(2) . . ?
C36 C35 H35 119.3 . . ?
C31 C36 H36 119.7 . . ?
C35 C36 C31 120.5(2) . . ?
C35 C36 H36 119.7 . . ?
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 . . ?

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 O1 C1 C2 -90.4(2) . . . . ?
Sb1 O1 C1 C3 151.79(16) . . . . ?
Sb1 O1 C1 C4 29.9(2) . . . . ?
Sb1 O2 C4 C1 33.7(2) . . . . ?
Sb1 O2 C4 C5 155.85(15) . . . . ?
Sb1 O2 C4 C6 -87.19(19) . . . . ?
Sb1 C11 C12 C13 174.77(17) . . . . ?
Sb1 C11 C16 C15 -175.28(18) . . . . ?
Sb1 C21 C22 C23 174.25(18) . . . . ?
Sb1 C21 C26 C25 -173.22(17) . . . . ?
Sb1 C31 C32 C33 173.61(16) . . . . ?
Sb1 C31 C36 C35 -173.81(17) . . . . ?
O1 C1 C4 O2 -39.9(2) . . . . ?
O1 C1 C4 C5 -158.05(18) . . . . ?
O1 C1 C4 C6 79.1(2) . . . . ?
C2 C1 C4 O2 77.7(2) . . . . ?
C2 C1 C4 C5 -40.5(3) . . . . ?
C2 C1 C4 C6 -163.4(2) . . . . ?
C3 C1 C4 O2 -158.07(19) . . . . ?
C3 C1 C4 C5 83.7(2) . . . . ?
C3 C1 C4 C6 -39.2(3) . . . . ?
C11 C12 C13 C14 -0.1(4) . . . . ?
C12 C11 C16 C15 1.0(4) . . . . ?
C12 C13 C14 C15 1.6(3) . . . . ?
C12 C13 C14 C17 -178.1(2) . . . . ?
C13 C14 C15 C16 -1.8(3) . . . . ?
C14 C15 C16 C11 0.5(4) . . . . ?
C16 C11 C12 C13 -1.2(3) . . . . ?
C17 C14 C15 C16 177.9(2) . . . . ?
C21 C22 C23 C24 -1.4(4) . . . . ?
C22 C21 C26 C25 0.9(3) . . . . ?
C22 C23 C24 C25 1.3(4) . . . . ?
C22 C23 C24 C27 -176.2(2) . . . . ?
C23 C24 C25 C26 0.0(4) . . . . ?
C24 C25 C26 C21 -1.1(4) . . . . ?
C26 C21 C22 C23 0.3(4) . . . . ?
C27 C24 C25 C26 177.5(2) . . . . ?
C31 C32 C33 C34 0.3(3) . . . . ?
C32 C31 C36 C35 0.6(3) . . . . ?
C32 C33 C34 C35 0.6(3) . . . . ?
C32 C33 C34 C37 -178.0(2) . . . . ?
C33 C34 C35 C36 -1.0(3) . . . . ?
C34 C35 C36 C31 0.4(3) . . . . ?
C36 C31 C32 C33 -0.9(3) . . . . ?
C37 C34 C35 C36 177.6(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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.659
_oxdiff_exptl_absorpt_empirical_full_min 0.693
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2265795'
loop_
_audit_author_name
_audit_author_address
'Timothy Johnstone'
;University of California, Santa Cruz
United States of America
;
_audit_update_record             
;
2023-05-27 deposited with the CCDC.	2023-06-20 downloaded from the CCDC.
;
_audit_creation_date             2022-12-08
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H29 O2 Sb'
_chemical_formula_sum            'C25 H29 O2 Sb'
_chemical_formula_weight         483.23
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Sb O2 C25 H29'
_chemical_oxdiff_usercomment     'BLK0536-Sat MeCN'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.6242(2)
_cell_length_b                   9.3045(2)
_cell_length_c                   14.1213(3)
_cell_angle_alpha                79.804(2)
_cell_angle_beta                 83.183(2)
_cell_angle_gamma                80.822(2)
_cell_volume                     1096.19(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    18710
_cell_measurement_temperature    101(1)
_cell_measurement_theta_max      76.2090
_cell_measurement_theta_min      3.1770
_shelx_estimated_absorpt_T_max   0.582
_shelx_estimated_absorpt_T_min   0.313
_exptl_absorpt_coefficient_mu    10.103
_exptl_absorpt_correction_T_max  0.816
_exptl_absorpt_correction_T_min  0.389
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.64a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             492
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 1 2 0.0724
-1 -2 2 0.0478
-1 -1 -2 0.0537
-2 -2 -1 0.0488
-2 -1 -2 0.0387
2 2 1 0.0732
0 -1 1 0.0464
-1 0 -1 0.0243
1 -1 2 0.0410
1 -2 2 0.0454
-2 -1 -1 0.0360
2 1 1 0.0572
2 0 1 0.0352
1 0 2 0.0417
1 -2 0 0.0562
1 1 0 0.0810
1 -2 -2 0.0564
0 -2 -1 0.0624
1 0 -1 0.0750
0 -1 -1 0.0593
0 1 1 0.0916
2 1 -2 0.0762
-1 1 -2 0.0428
-2 0 1 0.0271
0 0 1 0.0336

_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.06
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1.0000 1.0000 2.0000 0.0421 0.2288 -0.1699
-1.0000 -2.0000 2.0000 0.0473 0.2013 0.4121
-1.0000 -1.0000 -2.0000 -0.0421 -0.2288 0.1699
-2.0000 -2.0000 -1.0000 -0.0967 -0.1340 0.4219
-2.0000 -1.0000 -2.0000 -0.1985 -0.2406 0.2617
2.0000 2.0000 1.0000 0.0967 0.1340 -0.4219
-0.0000 -1.0000 1.0000 0.1018 0.1066 0.1602
-1.0000 0.0000 -1.0000 -0.1523 -0.1196 0.0644
1.0000 -1.0000 2.0000 0.2541 0.2262 0.0957
1.0000 -2.0000 2.0000 0.3601 0.2249 0.2285
-2.0000 -1.0000 -1.0000 -0.2027 -0.1327 0.2890
2.0000 1.0000 1.0000 0.2027 0.1327 -0.2890
2.0000 0.0000 1.0000 0.3087 0.1315 -0.1562
1.0000 -0.0000 2.0000 0.1481 0.2275 -0.0371
1.0000 -2.0000 0.0000 0.3684 0.0092 0.1739
1.0000 1.0000 -0.0000 0.0504 0.0131 -0.2246
1.0000 -2.0000 -2.0000 0.3767 -0.2064 0.1193
0.0000 -2.0000 -1.0000 0.2161 -0.1104 0.2383
1.0000 -0.0000 -1.0000 0.1606 -0.0960 -0.1191
-0.0000 -1.0000 -1.0000 0.1102 -0.1091 0.1055
0.0000 1.0000 1.0000 -0.1102 0.1091 -0.1055
2.0000 1.0000 -2.0000 0.2152 -0.1908 -0.3710
-1.0000 1.0000 -2.0000 -0.2541 -0.2262 -0.0957
-2.0000 0.0000 1.0000 -0.3170 0.0842 0.2108
0.0000 0.0000 1.0000 -0.0042 0.1078 0.0273

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0689
_diffrn_reflns_av_unetI/netI     0.0382
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            27604
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.384
_diffrn_reflns_theta_min         3.194
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      101(1)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     13.00  38.00   0.50    0.05    --   28.00  63.00   8.63   50
  2  ω    -70.00 -15.00   0.50    0.05    --  -49.41 107.00 -38.00  110
  3  ω    -49.00 -24.00   0.50    0.09    --  -84.25 107.00 -38.00   50
  4  ω    -60.00  19.00   0.50    0.05    --  -49.41  57.00 -60.00  158
  5  ω     25.00  53.00   0.50    0.05    --   36.00  59.00-169.97   56
  6  ω     27.00  52.00   0.50    0.05    --   40.00  59.00-146.60   50
  7  ω     27.00  52.00   0.50    0.05    --   40.00  59.00 -54.26   50
  8  ω     27.00  52.00   0.50    0.05    --   40.00  58.00-114.15   50
  9  ω     27.00  52.00   0.50    0.05    --   40.00  59.00  29.68   50
 10  ω     23.00  53.00   0.50    0.05    --   36.00  59.00  82.47   60
 11  ω     27.00  52.00   0.50    0.05    --   40.00  59.00 152.70   50
 12  ω    103.00 178.00   0.50    0.09    --  105.75  77.00 150.00  150
 13  ω    146.00 178.00   0.50    0.09    --  105.75  57.00 120.00   64
 14  ω     93.00 141.00   0.50    0.09    --  105.75  57.00 120.00   96
 15  ω    101.00 172.00   0.50    0.09    --  105.75  57.00  30.00  142
 16  ω    139.00 178.00   0.50    0.09    --  105.75  57.00 -60.00   78
 17  ω     98.00 135.00   0.50    0.09    --  105.75  57.00 -60.00   74
 18  ω     97.00 150.00   0.50    0.09    --  105.75  57.00-150.00  106
 19  ω    110.00 173.00   0.50    0.09    --  105.75  77.00-150.00  126
 20  ω     90.00 127.00   0.50    0.05    --   56.00  56.00 -16.99   74
 21  ω    150.00 176.00   0.50    0.09    --  105.75  57.00  90.00   52
 22  ω     95.00 140.00   0.50    0.09    --  105.75  57.00  90.00   90
 23  ω     44.00  69.00   0.50    0.05    --   56.00  56.00 -16.99   50
 24  ω     98.00 128.00   0.50    0.09    --  105.75  38.00 -60.00   60
 25  ω    136.00 162.00   0.50    0.09    --  105.75  38.00 -60.00   52
 26  ω    140.00 167.00   0.50    0.09    --  105.75  19.00  90.00   54
 27  ω     99.00 131.00   0.50    0.09    --  105.75  19.00  90.00   64
 28  ω     37.00  67.00   0.50    0.09    --  105.75 -57.00 120.00   60
 29  ω     35.00  60.00   0.50    0.09    --  105.75 -77.00  60.00   50
 30  ω     81.00 106.00   0.50    0.09    --  105.75 -77.00  60.00   50
 31  ω     35.00  65.00   0.50    0.09    --  105.75 -57.00  90.00   60
 32  ω     38.00  64.00   0.50    0.09    --  105.75 -57.00 -90.00   52
 33  ω     38.00  66.00   0.50    0.09    --  105.75 -57.00-120.00   56
 34  ω     36.00  64.00   0.50    0.09    --  105.75 -57.00-180.00   56
 35  ω    105.00 158.00   0.50    0.09    --  105.75 107.00 -38.00  106
 36  ω    -38.00 -13.00   0.50    0.05    --    4.00 122.00 166.95   50
 37  ω     36.00  64.00   0.50    0.09    --  105.75 -99.00 120.00   56
 38  ω     38.00 106.00   0.50    0.09    --  105.75 -99.00  60.00  136
 39  ω     36.00  64.00   0.50    0.09    --  105.75 -99.00 -90.00   56
 40  ω     69.00 101.00   0.50    0.09    --  105.75 -99.00 -90.00   64
 41  ω     69.00 106.00   0.50    0.09    --  105.75-107.00-137.00   74
 42  ω     46.00  92.00   0.50    0.09    --  105.75 -99.00-180.00   92
 43  ω     23.00  82.00   0.50    0.05    --   49.41-107.00-137.00  118
 44  ω     46.00 105.00   0.50    0.09    --  105.75 -99.00 -30.00  118
 45  ω     77.00 103.00   0.50    0.09    --  105.75 -99.00  30.00   52
 46  ω     36.00  64.00   0.50    0.09    --  105.75 -99.00  30.00   56
 47  ω     74.00 103.00   0.50    0.09    --  105.75 -99.00 120.00   58
 48  ω    -42.00 -17.00   0.50    0.05    --  -32.00 -64.00 -47.18   50
 49  ω    -76.00 -39.00   0.50    0.05    --  -52.00 -56.00 -33.95   74
 50  ω    -70.00 -44.00   0.50    0.05    --  -56.00 -56.00 -10.97   52
 51  ω    -85.00 -59.00   0.50    0.09    --  -72.00 -56.00 -42.66   52
 52  ω   -111.00 -85.00   0.50    0.05    --  -56.00 -56.00 -10.97   52
 53  ω   -126.00-100.00   0.50    0.09    --  -72.00 -56.00 -42.66   52
 54  ω    -88.00 -63.00   0.50    0.09    --  -76.00 -56.00  -4.65   50
 55  ω    -89.00 -63.00   0.50    0.09    --  -76.00 -56.00 -90.03   52
 56  ω    -89.00 -63.00   0.50    0.09    --  -76.00 -56.00-101.33   52
 57  ω    -91.00 -65.00   0.50    0.09    --  -76.00 -56.00-174.77   52
 58  ω   -142.00-116.00   0.50    0.09    --  -76.00 -56.00-101.33   52
 59  ω    -91.00 -65.00   0.50    0.09    --  -76.00 -55.00 -68.25   52
 60  ω    -69.00 -40.00   0.50    0.05    --  -52.00 -55.00  39.37   58
 61  ω    -70.00 -44.00   0.50    0.05    --  -56.00 -55.00  82.15   52
 62  ω   -102.00 -76.00   0.50    0.09    --  -84.25 -56.00 163.27   52
 63  ω    -85.00 -56.00   0.50    0.09    --  -68.00 -55.00  92.01   58
 64  ω   -122.00 -97.00   0.50    0.05    --  -52.00 -55.00  39.37   50
 65  ω    -93.00 -68.00   0.50    0.09    --  -80.00 -54.00  20.12   50
 66  ω    -89.00 -64.00   0.50    0.09    --  -76.00 -55.00-123.22   50
 67  ω    -89.00 -64.00   0.50    0.09    --  -76.00 -54.00-144.55   50
 68  ω   -105.00 -73.00   0.50    0.09    --  -84.25 -55.00-134.65   64
 69  ω    -70.00 -45.00   0.50    0.05    --  -56.00 -54.00-156.83   50
 70  ω   -127.00 -85.00   0.50    0.05    --  -56.00 -54.00-156.83   84
 71  ω   -100.00 -72.00   0.50    0.09    --  -84.25 -54.00-166.64   56
 72  ω   -148.00-122.00   0.50    0.09    --  -80.00 -54.00  20.12   52
 73  ω   -134.00 -77.00   0.50    0.09    --  -84.25 -53.00 -15.41  114
 74  ω    -97.00 -64.00   0.50    0.09    --  -76.00 -54.00  62.60   66
 75  ω    -97.00 -72.00   0.50    0.09    --  -84.25 -54.00  85.75   50
 76  ω   -107.00 -72.00   0.50    0.09    --  -84.25 -54.00 126.46   70
 77  ω   -155.00-130.00   0.50    0.09    --  -84.25 -54.00  85.75   50
 78  ω   -134.00-109.00   0.50    0.09    --  -84.25 -53.00   6.63   50
 79  ω   -151.00-125.00   0.50    0.09    --  -84.25 -53.00 -83.46   52
 80  ω   -131.00 -96.00   0.50    0.05    --  -60.00 -53.00 -93.59   70
 81  ω   -103.00 -73.00   0.50    0.09    --  -84.25 -53.00 -83.46   60
 82  ω   -101.00 -76.00   0.50    0.09    --  -84.25 -53.00   6.63   50
 83  ω    -85.00 -49.00   0.50    0.05    --  -60.00 -53.00 -93.59   72
 84  ω   -100.00 -73.00   0.50    0.09    --  -84.25 -53.00  49.52   54
 85  ω   -102.00 -48.00   0.50    0.05    --  -60.00 -53.00 147.33  108
 86  ω    -85.00 -60.00   0.50    0.09    --  -72.00 -53.00 139.64   50
 87  ω    -99.00 -74.00   0.50    0.09    --  -84.25 -53.00 170.56   50
 88  ω   -101.00 -73.00   0.50    0.09    --  -84.25 -53.00 143.52   56
 89  ω   -152.00-110.00   0.50    0.09    --  -84.25 -53.00 170.56   84
 90  ω   -150.00-125.00   0.50    0.09    --  -84.25 -53.00 143.52   50
 91  ω    -96.00 -62.00   0.50    0.09    --  -72.00 -50.00 117.48   68
 92  ω   -100.00 -74.00   0.50    0.09    --  -84.25 -51.00 100.86   52
 93  ω    -98.00 -73.00   0.50    0.09    --  -84.25 -50.00  31.23   50
 94  ω    -85.00 -59.00   0.50    0.09    --  -68.00 -52.00  27.63   52
 95  ω   -125.00 -99.00   0.50    0.09    --  -68.00 -52.00  27.63   52
 96  ω   -156.00-131.00   0.50    0.09    --  -84.25 -50.00 -59.44   50
 97  ω   -113.00 -74.00   0.50    0.09    --  -84.25 -50.00 -59.44   78
 98  ω    -91.00 -65.00   0.50    0.09    --  -72.00 -51.00-165.35   52
 99  ω   -102.00 -74.00   0.50    0.09    --  -84.25 -49.00-125.14   56
100  ω   -154.00-126.00   0.50    0.09    --  -84.25 -49.00-125.14   56
101  ω   -142.00-117.00   0.50    0.09    --  -84.25-107.00-137.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1564254000
_diffrn_orient_matrix_UB_12      -0.1059987000
_diffrn_orient_matrix_UB_13      -0.0041525000
_diffrn_orient_matrix_UB_21      0.0118028000
_diffrn_orient_matrix_UB_22      0.0012776000
_diffrn_orient_matrix_UB_23      0.1078442000
_diffrn_orient_matrix_UB_31      -0.0917626000
_diffrn_orient_matrix_UB_32      -0.1328296000
_diffrn_orient_matrix_UB_33      0.0273224000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4266
_reflns_number_total             4461
_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 1.171.42.64a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.64a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.64a (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         1.238
_refine_diff_density_min         -0.956
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     258
_refine_ls_number_reflns         4461
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0310
_refine_ls_restrained_S_all      1.101
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0524P)²+0.2344P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0817
_refine_ls_wR_factor_ref         0.0825
_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 Ternary CH refined with riding coordinates:
 C1(H1), C2(H2)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C15(H15), C16(H16), C22(H22), C23(H23), C25(H25),
 C26(H26), C32(H32), C33(H33), C35(H35), C36(H36)
2.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C141(H14A,H14B,H14C), C241(H24A,H24B,H24C),
 C341(H34A,H34B,H34C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.39014(2) 0.35758(2) 0.28310(2) 0.01657(8) Uani 1 1 d . . . . .
O1 O 0.6093(2) 0.4024(2) 0.24610(15) 0.0254(4) Uani 1 1 d . . . . .
O2 O 0.3836(2) 0.5168(2) 0.36462(14) 0.0228(4) Uani 1 1 d . . . . .
C1 C 0.6495(4) 0.5153(3) 0.2919(2) 0.0249(6) Uani 1 1 d . . . . .
H1 H 0.714994 0.578193 0.243489 0.030 Uiso 1 1 calc R U . . .
C2 C 0.4953(4) 0.6119(3) 0.3216(2) 0.0240(6) Uani 1 1 d . . . . .
H2 H 0.453912 0.672937 0.261807 0.029 Uiso 1 1 calc R U . . .
C3 C 0.7482(4) 0.4433(4) 0.3746(3) 0.0338(7) Uani 1 1 d . . . . .
H3A H 0.682712 0.389071 0.425719 0.051 Uiso 1 1 calc R U . . .
H3B H 0.788825 0.519502 0.400464 0.051 Uiso 1 1 calc R U . . .
H3C H 0.836763 0.374869 0.350822 0.051 Uiso 1 1 calc R U . . .
C4 C 0.5141(4) 0.7151(4) 0.3901(2) 0.0301(7) Uani 1 1 d . . . . .
H4A H 0.413374 0.777649 0.402125 0.045 Uiso 1 1 calc R U . . .
H4B H 0.594601 0.777255 0.361219 0.045 Uiso 1 1 calc R U . . .
H4C H 0.546448 0.657102 0.451348 0.045 Uiso 1 1 calc R U . . .
C11 C 0.4577(3) 0.1652(3) 0.2134(2) 0.0192(5) Uani 1 1 d . . . . .
C12 C 0.6117(3) 0.1138(3) 0.1806(2) 0.0231(6) Uani 1 1 d . . . . .
H12 H 0.696256 0.162692 0.189444 0.028 Uiso 1 1 calc R U . . .
C13 C 0.6412(4) -0.0105(3) 0.1345(2) 0.0262(6) Uani 1 1 d . . . . .
H13 H 0.746596 -0.044650 0.111966 0.031 Uiso 1 1 calc R U . . .
C14 C 0.5211(3) -0.0851(3) 0.1207(2) 0.0216(6) Uani 1 1 d . . . . .
C15 C 0.3672(4) -0.0334(3) 0.1546(2) 0.0235(6) Uani 1 1 d . . . . .
H15 H 0.282803 -0.083138 0.146651 0.028 Uiso 1 1 calc R U . . .
C16 C 0.3369(3) 0.0905(3) 0.2000(2) 0.0203(6) Uani 1 1 d . . . . .
H16 H 0.231456 0.124771 0.222304 0.024 Uiso 1 1 calc R U . . .
C21 C 0.2630(3) 0.2463(3) 0.40588(19) 0.0183(5) Uani 1 1 d . . . . .
C22 C 0.3164(3) 0.0997(3) 0.4423(2) 0.0215(6) Uani 1 1 d . . . . .
H22 H 0.406646 0.048755 0.410851 0.026 Uiso 1 1 calc R U . . .
C23 C 0.2379(4) 0.0275(3) 0.5248(2) 0.0260(6) Uani 1 1 d . . . . .
H23 H 0.276639 -0.071638 0.549922 0.031 Uiso 1 1 calc R U . . .
C24 C 0.1041(4) 0.0989(3) 0.5705(2) 0.0245(6) Uani 1 1 d . . . . .
C25 C 0.0503(4) 0.2448(3) 0.5328(2) 0.0249(6) Uani 1 1 d . . . . .
H25 H -0.042651 0.294182 0.562657 0.030 Uiso 1 1 calc R U . . .
C26 C 0.1300(3) 0.3190(3) 0.4526(2) 0.0225(6) Uani 1 1 d . . . . .
H26 H 0.093788 0.419631 0.429542 0.027 Uiso 1 1 calc R U . . .
C31 C 0.2516(3) 0.4887(3) 0.17817(19) 0.0191(5) Uani 1 1 d . . . . .
C32 C 0.1223(4) 0.5917(4) 0.1999(2) 0.0322(7) Uani 1 1 d . . . . .
H32 H 0.089129 0.601473 0.265361 0.039 Uiso 1 1 calc R U . . .
C33 C 0.0411(4) 0.6806(4) 0.1259(2) 0.0363(8) Uani 1 1 d . . . . .
H33 H -0.048524 0.748586 0.141963 0.044 Uiso 1 1 calc R U . . .
C34 C 0.0886(3) 0.6719(4) 0.0292(2) 0.0275(6) Uani 1 1 d . . . . .
C35 C 0.2201(4) 0.5708(3) 0.0074(2) 0.0268(6) Uani 1 1 d . . . . .
H35 H 0.255653 0.563662 -0.058078 0.032 Uiso 1 1 calc R U . . .
C36 C 0.2995(4) 0.4805(3) 0.0811(2) 0.0238(6) Uani 1 1 d . . . . .
H36 H 0.388365 0.411697 0.064955 0.029 Uiso 1 1 calc R U . . .
C141 C 0.5533(4) -0.2163(3) 0.0687(2) 0.0272(6) Uani 1 1 d . . . . .
H14A H 0.570133 -0.182528 -0.001008 0.041 Uiso 1 1 calc R U . . .
H14B H 0.463006 -0.271130 0.082389 0.041 Uiso 1 1 calc R U . . .
H14C H 0.647880 -0.280712 0.090930 0.041 Uiso 1 1 calc R U . . .
C241 C 0.0181(4) 0.0198(4) 0.6593(2) 0.0330(7) Uani 1 1 d . . . . .
H24A H 0.085638 -0.001968 0.712627 0.050 Uiso 1 1 calc R U . . .
H24B H -0.007669 -0.072593 0.645108 0.050 Uiso 1 1 calc R U . . .
H24C H -0.079343 0.082645 0.677581 0.050 Uiso 1 1 calc R U . . .
C341 C 0.0002(4) 0.7686(4) -0.0506(3) 0.0372(8) Uani 1 1 d . . . . .
H34A H 0.011549 0.871912 -0.051429 0.056 Uiso 1 1 calc R U . . .
H34B H -0.111779 0.756882 -0.039281 0.056 Uiso 1 1 calc R U . . .
H34C H 0.043477 0.739563 -0.112958 0.056 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 O1 1.990(2) . ?
Sb1 O2 2.021(2) . ?
Sb1 C11 2.160(3) . ?
Sb1 C21 2.134(3) . ?
Sb1 C31 2.104(3) . ?
O1 C1 1.433(4) . ?
O2 C2 1.422(4) . ?
C1 H1 1.0000 . ?
C1 C2 1.541(4) . ?
C1 C3 1.522(4) . ?
C2 H2 1.0000 . ?
C2 C4 1.516(4) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C11 C12 1.392(4) . ?
C11 C16 1.389(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.400(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.385(5) . ?
C14 C15 1.396(4) . ?
C14 C141 1.506(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.391(4) . ?
C16 H16 0.9500 . ?
C21 C22 1.395(4) . ?
C21 C26 1.393(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.395(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.386(4) . ?
C24 C25 1.393(4) . ?
C24 C241 1.513(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.386(4) . ?
C26 H26 0.9500 . ?
C31 C32 1.392(4) . ?
C31 C36 1.396(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.396(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.392(5) . ?
C34 C35 1.394(4) . ?
C34 C341 1.512(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.390(4) . ?
C36 H36 0.9500 . ?
C141 H14A 0.9800 . ?
C141 H14B 0.9800 . ?
C141 H14C 0.9800 . ?
C241 H24A 0.9800 . ?
C241 H24B 0.9800 . ?
C241 H24C 0.9800 . ?
C341 H34A 0.9800 . ?
C341 H34B 0.9800 . ?
C341 H34C 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
O1 Sb1 O2 81.95(8) . . ?
O1 Sb1 C11 87.27(10) . . ?
O1 Sb1 C21 137.18(9) . . ?
O1 Sb1 C31 106.20(10) . . ?
O2 Sb1 C11 164.14(10) . . ?
O2 Sb1 C21 85.26(9) . . ?
O2 Sb1 C31 95.65(9) . . ?
C21 Sb1 C11 94.94(11) . . ?
C31 Sb1 C11 98.52(11) . . ?
C31 Sb1 C21 115.65(10) . . ?
C1 O1 Sb1 114.24(17) . . ?
C2 O2 Sb1 108.99(16) . . ?
O1 C1 H1 108.3 . . ?
O1 C1 C2 107.9(2) . . ?
O1 C1 C3 108.9(3) . . ?
C2 C1 H1 108.3 . . ?
C3 C1 H1 108.3 . . ?
C3 C1 C2 114.9(3) . . ?
O2 C2 C1 108.0(2) . . ?
O2 C2 H2 108.2 . . ?
O2 C2 C4 110.0(2) . . ?
C1 C2 H2 108.2 . . ?
C4 C2 C1 114.1(3) . . ?
C4 C2 H2 108.2 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C12 C11 Sb1 124.6(2) . . ?
C16 C11 Sb1 116.64(19) . . ?
C16 C11 C12 118.8(3) . . ?
C11 C12 H12 120.2 . . ?
C11 C12 C13 119.6(3) . . ?
C13 C12 H12 120.2 . . ?
C12 C13 H13 119.1 . . ?
C14 C13 C12 121.8(3) . . ?
C14 C13 H13 119.1 . . ?
C13 C14 C15 118.2(3) . . ?
C13 C14 C141 121.4(3) . . ?
C15 C14 C141 120.4(3) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.3(3) . . ?
C16 C15 H15 119.8 . . ?
C11 C16 C15 121.3(3) . . ?
C11 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C22 C21 Sb1 119.7(2) . . ?
C26 C21 Sb1 121.2(2) . . ?
C26 C21 C22 119.1(3) . . ?
C21 C22 H22 119.9 . . ?
C21 C22 C23 120.3(3) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.6 . . ?
C24 C23 C22 120.7(3) . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C25 118.6(3) . . ?
C23 C24 C241 120.6(3) . . ?
C25 C24 C241 120.8(3) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 C24 121.2(3) . . ?
C26 C25 H25 119.4 . . ?
C21 C26 H26 120.0 . . ?
C25 C26 C21 120.1(3) . . ?
C25 C26 H26 120.0 . . ?
C32 C31 Sb1 123.4(2) . . ?
C32 C31 C36 118.2(3) . . ?
C36 C31 Sb1 118.1(2) . . ?
C31 C32 H32 119.9 . . ?
C31 C32 C33 120.2(3) . . ?
C33 C32 H32 119.9 . . ?
C32 C33 H33 119.3 . . ?
C34 C33 C32 121.5(3) . . ?
C34 C33 H33 119.3 . . ?
C33 C34 C35 118.2(3) . . ?
C33 C34 C341 121.2(3) . . ?
C35 C34 C341 120.6(3) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 C34 120.4(3) . . ?
C36 C35 H35 119.8 . . ?
C31 C36 H36 119.3 . . ?
C35 C36 C31 121.5(3) . . ?
C35 C36 H36 119.3 . . ?
C14 C141 H14A 109.5 . . ?
C14 C141 H14B 109.5 . . ?
C14 C141 H14C 109.5 . . ?
H14A C141 H14B 109.5 . . ?
H14A C141 H14C 109.5 . . ?
H14B C141 H14C 109.5 . . ?
C24 C241 H24A 109.5 . . ?
C24 C241 H24B 109.5 . . ?
C24 C241 H24C 109.5 . . ?
H24A C241 H24B 109.5 . . ?
H24A C241 H24C 109.5 . . ?
H24B C241 H24C 109.5 . . ?
C34 C341 H34A 109.5 . . ?
C34 C341 H34B 109.5 . . ?
C34 C341 H34C 109.5 . . ?
H34A C341 H34B 109.5 . . ?
H34A C341 H34C 109.5 . . ?
H34B C341 H34C 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 O1 C1 C2 -23.6(3) . . . . ?
Sb1 O1 C1 C3 101.7(2) . . . . ?
Sb1 O2 C2 C1 -44.7(2) . . . . ?
Sb1 O2 C2 C4 -169.8(2) . . . . ?
Sb1 C11 C12 C13 -178.6(2) . . . . ?
Sb1 C11 C16 C15 179.0(2) . . . . ?
Sb1 C21 C22 C23 177.5(2) . . . . ?
Sb1 C21 C26 C25 -179.4(2) . . . . ?
Sb1 C31 C32 C33 176.4(3) . . . . ?
Sb1 C31 C36 C35 -175.7(2) . . . . ?
O1 C1 C2 O2 44.6(3) . . . . ?
O1 C1 C2 C4 167.2(2) . . . . ?
C3 C1 C2 O2 -77.0(3) . . . . ?
C3 C1 C2 C4 45.6(4) . . . . ?
C11 C12 C13 C14 -0.3(5) . . . . ?
C12 C11 C16 C15 -0.1(4) . . . . ?
C12 C13 C14 C15 -0.2(4) . . . . ?
C12 C13 C14 C141 178.4(3) . . . . ?
C13 C14 C15 C16 0.6(4) . . . . ?
C14 C15 C16 C11 -0.4(4) . . . . ?
C16 C11 C12 C13 0.5(4) . . . . ?
C21 C22 C23 C24 1.4(4) . . . . ?
C22 C21 C26 C25 -1.6(4) . . . . ?
C22 C23 C24 C25 -0.6(4) . . . . ?
C22 C23 C24 C241 179.3(3) . . . . ?
C23 C24 C25 C26 -1.4(4) . . . . ?
C24 C25 C26 C21 2.5(4) . . . . ?
C26 C21 C22 C23 -0.4(4) . . . . ?
C31 C32 C33 C34 -1.6(6) . . . . ?
C32 C31 C36 C35 -0.8(5) . . . . ?
C32 C33 C34 C35 0.3(5) . . . . ?
C32 C33 C34 C341 -180.0(3) . . . . ?
C33 C34 C35 C36 0.8(5) . . . . ?
C34 C35 C36 C31 -0.5(5) . . . . ?
C36 C31 C32 C33 1.8(5) . . . . ?
C141 C14 C15 C16 -178.0(3) . . . . ?
C241 C24 C25 C26 178.8(3) . . . . ?
C341 C34 C35 C36 -179.0(3) . . . . ?

_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 1.386
_oxdiff_exptl_absorpt_empirical_full_min 0.687
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2265797'
loop_
_audit_author_name
_audit_author_address
'Timothy Johnstone'
;University of California, Santa Cruz
United States of America
;
_audit_update_record             
;
2023-05-27 deposited with the CCDC.	2023-06-20 downloaded from the CCDC.
;
_audit_creation_date             2022-12-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H29 O2 Sb'
_chemical_formula_sum            'C25 H29 O2 Sb'
_chemical_formula_weight         483.23
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Sb1 C25 H29 O2'
_chemical_oxdiff_usercomment     'BLK0510-CDCl3 slow evap-data set 2'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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           5
_space_group_name_H-M_alt        'C 1 2 1'
_space_group_name_Hall           'C 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'

_cell_length_a                   13.81140(10)
_cell_length_b                   11.47050(10)
_cell_length_c                   28.9055(2)
_cell_angle_alpha                90
_cell_angle_beta                 103.8970(10)
_cell_angle_gamma                90
_cell_volume                     4445.27(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    62154
_cell_measurement_temperature    100.5(9)
_cell_measurement_theta_max      77.1690
_cell_measurement_theta_min      3.1160
_shelx_estimated_absorpt_T_max   0.542
_shelx_estimated_absorpt_T_min   0.267
_exptl_absorpt_coefficient_mu    9.966
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.772
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.64a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             1968
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 2 -1 0.0399
0 0 -1 0.0619
0 0 1 0.0684
-1 0 0 0.0439
1 0 0 0.0277
1 -2 -2 0.0829
1 0 -2 0.0560
-1 0 2 0.0810
1 1 -2 0.0324
-1 -1 2 0.0351
2 1 1 0.0422
1 2 -1 0.0328
0 1 2 0.0781
1 -1 -2 0.0777
0 1 -2 0.0394
1 1 -1 0.0286
0 -1 2 0.0512
-1 -1 -1 0.0584

_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.07
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-2.0003 1.9985 -0.9996 0.1909 -0.1987 -0.2410
-0.0001 0.0001 -0.9999 -0.0357 -0.0214 -0.0357
0.0001 -0.0001 0.9999 0.0357 0.0214 0.0357
-1.0010 -0.0001 0.0002 0.0444 0.0265 -0.1027
1.0010 0.0001 -0.0002 -0.0444 -0.0265 0.1027
0.9991 -1.9983 -1.9998 -0.2538 0.1609 0.0311
1.0008 0.0003 -2.0000 -0.1159 -0.0694 0.0313
-1.0008 -0.0003 2.0000 0.1159 0.0694 -0.0313
1.0017 0.9995 -2.0001 -0.0469 -0.1846 0.0313
-1.0017 -0.9995 2.0001 0.0469 0.1846 -0.0313
2.0028 0.9993 0.9993 0.0160 -0.1468 0.2412
1.0026 1.9987 -1.0003 0.0578 -0.2783 0.0671
0.0010 0.9991 1.9996 0.1405 -0.0723 0.0715
1.0000 -0.9990 -1.9999 -0.1848 0.0457 0.0312
0.0007 0.9995 -1.9998 -0.0025 -0.1580 -0.0714
1.0017 0.9994 -1.0002 -0.0111 -0.1631 0.0670
-0.0007 -0.9995 1.9998 0.0025 0.1580 0.0714
-1.0019 -0.9992 -0.9995 -0.0604 0.1202 -0.1385

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_av_unetI/netI     0.0208
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            68817
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.241
_diffrn_reflns_theta_min         3.150
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.5(9)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_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     34.00  92.00   0.50    0.10    --   49.41-125.00 -30.00  116
  2  ω     40.00 102.00   0.50    0.40    --  105.75-125.00  30.00  124
  3  ω     45.00  79.00   0.50    0.40    --  105.75-125.00  90.00   68
  4  ω     83.00 109.00   0.50    0.40    --  105.75-125.00  90.00   52
  5  ω     78.00 107.00   0.50    0.40    --  105.75-104.00 147.44   58
  6  ω     40.00  67.00   0.50    0.40    --  105.75-104.00 147.44   54
  7  ω     39.00 106.00   0.50    0.40    --  105.75 -99.00 -30.00  134
  8  ω     37.00 103.00   0.50    0.40    --  105.75 -99.00 -60.00  132
  9  ω     37.00  85.00   0.50    0.40    --  105.75 -99.00 -90.00   96
 10  ω     36.00 104.00   0.50    0.40    --  105.75 -99.00-120.00  136
 11  ω     36.00  98.00   0.50    0.40    --  105.75 -99.00-150.00  124
 12  ω     36.00 104.00   0.50    0.40    --  105.75 -99.00  30.00  136
 13  ω     72.00 104.00   0.50    0.40    --  105.75 -99.00  90.00   64
 14  ω     39.00  68.00   0.50    0.40    --  105.75 -99.00  90.00   58
 15  ω     36.00 106.00   0.50    0.40    --  105.75 -99.00 150.00  140
 16  ω     39.00  65.00   0.50    0.40    --  105.75 -57.00  60.00   52
 17  ω     36.00  73.00   0.50    0.40    --  105.75 -66.00 143.00   74
 18  ω    -21.00  65.00   0.50    0.10    --   49.41 -66.00 143.00  172
 19  ω     35.00  60.00   0.50    0.40    --  105.75 -57.00 -90.00   50
 20  ω    -20.00  14.00   0.50    0.10    --    4.00  86.00-148.44   68
 21  ω     90.00 171.00   0.50    0.40    --  105.75  66.00 -81.00  162
 22  ω    100.00 178.00   0.50    0.40    --  105.75  57.00-120.00  156
 23  ω     93.00 175.00   0.50    0.40    --  105.75  57.00-180.00  164
 24  ω     97.00 169.00   0.50    0.40    --  105.75  57.00 -30.00  144
 25  ω    145.00 171.00   0.50    0.40    --  105.75  57.00  30.00   52
 26  ω    141.00 178.00   0.50    0.40    --  105.75  57.00 120.00   74
 27  ω     93.00 125.00   0.50    0.40    --  105.75  57.00 120.00   64
 28  ω     95.00 161.00   0.50    0.40    --  105.75  57.00 150.00  132
 29  ω     93.00 132.00   0.50    0.40    --  105.75  57.00  30.00   78
 30  ω     56.00  81.00   0.50    0.10    --   68.00  56.00  74.73   50
 31  ω     94.00 123.00   0.50    0.40    --  105.75  57.00   0.00   58
 32  ω    150.00 176.00   0.50    0.40    --  105.75  38.00  60.00   52
 33  ω    127.00 173.00   0.50    0.40    --  105.75  57.00   0.00   92
 34  ω    108.00 145.00   0.50    0.40    --  105.75  38.00  60.00   74
 35  ω    100.00 175.00   0.50    0.40    --  105.75  38.00  90.00  150
 36  ω    149.00 174.00   0.50    0.40    --  105.75  19.00 -90.00   50
 37  ω     93.00 170.00   0.50    0.40    --  105.75  57.00-150.00  154
 38  ω    102.00 128.00   0.50    0.10    --   68.00  56.00-132.47   52
 39  ω     56.00  82.00   0.50    0.10    --   68.00  56.00-132.47   52
 40  ω     27.00  53.00   0.50    0.10    --   40.00  59.00  -5.11   52
 41  ω     89.00 114.00   0.50    0.10    --   49.41  66.00 -81.00   50
 42  ω     33.00  59.00   0.50    0.10    --   49.41  66.00 -81.00   52
 43  ω     22.00  47.00   0.50    0.10    --   36.00  61.00-114.73   50
 44  ω     27.00  52.00   0.50    0.10    --   40.00  59.00  36.17   50
 45  ω     -3.00  25.00   0.50    0.10    --   16.00  76.00  77.71   56
 46  ω    -70.00 -44.00   0.50    0.40    --  -84.25  66.00 -81.00   52
 47  ω    -49.00  13.00   0.50    0.10    --  -49.41  66.00 -81.00  124
 48  ω    -39.00 -14.00   0.50    0.40    --  -84.25  38.00  90.00   50
 49  ω    -93.00 -68.00   0.50    0.40    --  -84.25 -66.00 143.00   50
 50  ω   -147.00-121.00   0.50    0.40    --  -84.25 -66.00 143.00   52
 51  ω    -80.00 -47.00   0.50    0.10    --  -60.00 -56.00  81.66   66
 52  ω    -87.00 -43.00   0.50    0.10    --  -56.00 -56.00 -44.61   88
 53  ω    -71.00 -39.00   0.50    0.10    --  -52.00 -56.00 -93.15   64
 54  ω    -78.00 -47.00   0.50    0.10    --  -60.00 -56.00-101.54   62
 55  ω    -86.00 -44.00   0.50    0.10    --  -56.00 -56.00-136.69   84
 56  ω    -91.00 -48.00   0.50    0.10    --  -60.00 -56.00-168.32   86
 57  ω   -127.00 -99.00   0.50    0.10    --  -60.00 -56.00-168.32   56
 58  ω    -89.00 -63.00   0.50    0.40    --  -76.00 -56.00 -68.85   52
 59  ω    -89.00 -63.00   0.50    0.40    --  -76.00 -56.00-138.60   52
 60  ω   -140.00-114.00   0.50    0.40    --  -76.00 -56.00  21.39   52
 61  ω    -89.00 -63.00   0.50    0.40    --  -76.00 -56.00  -0.73   52
 62  ω    -85.00 -59.00   0.50    0.40    --  -72.00 -56.00  27.08   52
 63  ω    -90.00 -64.00   0.50    0.40    --  -76.00 -56.00  21.39   52
 64  ω    -89.00 -63.00   0.50    0.40    --  -76.00 -56.00 102.81   52
 65  ω    -89.00 -63.00   0.50    0.40    --  -76.00 -56.00 142.90   52
 66  ω    -89.00 -63.00   0.50    0.40    --  -76.00 -56.00  80.76   52
 67  ω   -101.00 -76.00   0.50    0.40    --  -84.25 -56.00  82.54   50
 68  ω   -150.00-109.00   0.50    0.40    --  -84.25 -56.00 -30.71   82
 69  ω    -89.00 -63.00   0.50    0.40    --  -76.00 -56.00-118.80   52
 70  ω    -90.00 -64.00   0.50    0.40    --  -76.00 -56.00-104.16   52
 71  ω    -98.00 -72.00   0.50    0.40    --  -84.25 -55.00 -74.56   52
 72  ω    -92.00 -64.00   0.50    0.40    --  -76.00 -56.00 -26.66   56
 73  ω   -100.00 -72.00   0.50    0.40    --  -84.25 -55.00  15.39   56
 74  ω   -152.00-114.00   0.50    0.40    --  -84.25 -56.00  82.54   76
 75  ω   -114.00 -72.00   0.50    0.40    --  -84.25 -55.00 117.27   84
 76  ω   -106.00 -73.00   0.50    0.40    --  -84.25 -55.00  67.50   66
 77  ω   -150.00-125.00   0.50    0.40    --  -84.25 -55.00  15.39   50
 78  ω    -84.00 -44.00   0.50    0.10    --  -56.00 -55.00  58.36   80
 79  ω    -70.00 -44.00   0.50    0.10    --  -56.00 -55.00 -24.60   52
 80  ω   -102.00 -76.00   0.50    0.40    --  -84.25 -56.00 -30.71   52
 81  ω   -131.00-105.00   0.50    0.40    --  -76.00 -55.00 -51.08   52
 82  ω   -111.00 -72.00   0.50    0.40    --  -84.25 -55.00-128.35   78
 83  ω   -155.00 -75.00   0.50    0.40    --  -84.25 -55.00 -85.72  160
 84  ω   -155.00-129.00   0.50    0.40    --  -84.25 -55.00  26.13   52
 85  ω   -104.00 -72.00   0.50    0.40    --  -84.25 -55.00  95.82   64
 86  ω    -97.00 -72.00   0.50    0.40    --  -84.25 -55.00 143.88   50
 87  ω    -98.00 -72.00   0.50    0.40    --  -84.25 -55.00 164.56   52
 88  ω   -149.00-123.00   0.50    0.40    --  -84.25 -55.00 143.88   52
 89  ω   -153.00-124.00   0.50    0.40    --  -84.25 -55.00 164.56   58
 90  ω   -155.00-130.00   0.50    0.40    --  -84.25 -55.00  50.28   50
 91  ω   -115.00 -72.00   0.50    0.40    --  -84.25 -55.00  50.28   86
 92  ω    -89.00 -64.00   0.50    0.40    --  -76.00 -55.00 -51.08   50
 93  ω   -100.00 -73.00   0.50    0.40    --  -84.25 -55.00-147.78   54
 94  ω    -98.00 -72.00   0.50    0.40    --  -84.25 -55.00-170.16   52
 95  ω   -142.00-116.00   0.50    0.40    --  -84.25 -55.00-170.16   52
 96  ω   -156.00-127.00   0.50    0.40    --  -84.25 -55.00-147.78   58
 97  ω   -153.00-121.00   0.50    0.40    --  -84.25 -55.00-128.35   64
 98  ω    -97.00 -72.00   0.50    0.40    --  -84.25 -54.00 -11.52   50
 99  ω    -98.00 -72.00   0.50    0.40    --  -84.25 -54.00-162.44   52
100  ω   -100.00 -72.00   0.50    0.40    --  -84.25 -55.00  26.13   56
101  ω   -104.00 -73.00   0.50    0.40    --  -84.25 -53.00-114.18   62
102  ω   -106.00 -73.00   0.50    0.40    --  -84.25 -53.00 -50.65   66
103  ω    -92.00 -60.00   0.50    0.40    --  -72.00 -53.00  51.38   64
104  ω    -89.00 -48.00   0.50    0.10    --  -60.00 -54.00 110.94   82
105  ω   -156.00-131.00   0.50    0.40    --  -84.25 -54.00 176.20   50
106  ω    -97.00 -72.00   0.50    0.40    --  -84.25 -54.00 176.20   50
107  ω    -74.00 -48.00   0.50    0.10    --  -60.00 -53.00 166.56   52
108  ω    -31.00  -6.00   0.50    0.10    --  -24.00 -72.00  88.18   50
109  ω    -58.00 -33.00   0.50    0.10    --  -49.41 -66.00 143.00   50
110  ω    -99.00 -73.00   0.50    0.10    --  -49.41 -66.00 143.00   52
111  ω    -48.00 -23.00   0.50    0.10    --  -36.00 -61.00 174.90   50
112  ω    -37.00 -12.00   0.50    0.10    --  -28.00 -67.00  25.51   50
113  ω    -56.00 -30.00   0.50    0.10    --  -40.00 -58.00  72.02   52
114  ω    -59.00 -27.00   0.50    0.10    --  -40.00 -57.00   7.44   64
115  ω    -53.00 -28.00   0.50    0.10    --  -40.00 -59.00 -17.98   50
116  ω    -42.00 -17.00   0.50    0.10    --  -32.00 -64.00 -59.42   50
117  ω    -37.00 -12.00   0.50    0.10    --  -28.00 -67.00-130.18   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0443228000
_diffrn_orient_matrix_UB_12      0.0690666000
_diffrn_orient_matrix_UB_13      0.0357600000
_diffrn_orient_matrix_UB_21      -0.0264928000
_diffrn_orient_matrix_UB_22      -0.1152040000
_diffrn_orient_matrix_UB_23      0.0214347000
_diffrn_orient_matrix_UB_31      0.1026251000
_diffrn_orient_matrix_UB_32      -0.0000271000
_diffrn_orient_matrix_UB_33      0.0357268000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.896
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                8076
_reflns_number_total             8124
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.64a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.64a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.64a (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         1.443
_refine_diff_density_min         -0.574
_refine_diff_density_rms         0.061
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   -0.009(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         8124
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0205
_refine_ls_R_factor_gt           0.0204
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0317P)²+6.2020P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0531
_refine_ls_wR_factor_ref         0.0531
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 1.009(5)
 -0.009(5)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Ternary CH refined with riding coordinates:
 C1(H1), C3(H3), C7(H7), C8(H8)
3.b Aromatic/amide H refined with riding coordinates:
 C112(H112), C113(H113), C115(H115), C116(H116), C122(H122), C123(H123),
 C125(H125), C126(H126), C132(H132), C133(H133), C135(H135), C136(H136),
 C212(H212), C213(H213), C215(H215), C216(H216), C222(H222), C223(H223),
 C225(H225), C226(H226), C232(H232), C233(H233), C235(H235), C236(H236)
3.c Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C9(H9A,H9B,H9C), C11(H11A,H11B,H11C),
 C21(H21A,H21B,H21C), C2(H2A,H2B,H2C), C5(H5A,H5B,H5C), C31(H31A,H31B,H31C),
 C41(H41A,H41B,H41C), C234(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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 0.86724(2) 0.24131(2) 0.61473(2) 0.01836(7) Uani 1 1 d . . . . .
O11 O 0.9577(2) 0.1313(3) 0.58998(11) 0.0277(7) Uani 1 1 d . . . . .
O12 O 0.9793(2) 0.3498(3) 0.61608(11) 0.0281(7) Uani 1 1 d . . . . .
C1 C 1.0201(3) 0.1976(4) 0.56700(15) 0.0279(9) Uani 1 1 d . . . . .
H1 H 0.979086 0.226406 0.535758 0.033 Uiso 1 1 calc R U . . .
C3 C 1.0590(3) 0.3018(4) 0.59844(16) 0.0294(10) Uani 1 1 d . . . . .
H3 H 1.112249 0.274261 0.626160 0.035 Uiso 1 1 calc R U . . .
C4 C 0.5255(4) 0.2072(5) 0.41956(17) 0.0437(13) Uani 1 1 d . . . . .
H4A H 0.535811 0.137558 0.401728 0.066 Uiso 1 1 calc R U . . .
H4B H 0.527534 0.276728 0.400093 0.066 Uiso 1 1 calc R U . . .
H4C H 0.460384 0.202435 0.427400 0.066 Uiso 1 1 calc R U . . .
C6 C 0.8767(4) -0.1423(5) 0.77826(19) 0.0422(13) Uani 1 1 d . . . . .
H6A H 0.808703 -0.166769 0.778321 0.063 Uiso 1 1 calc R U . . .
H6B H 0.908567 -0.108148 0.809238 0.063 Uiso 1 1 calc R U . . .
H6C H 0.915154 -0.210133 0.772337 0.063 Uiso 1 1 calc R U . . .
C9 C 0.6433(4) 0.6326(5) 0.71252(17) 0.0334(11) Uani 1 1 d . . . . .
H9A H 0.630993 0.599658 0.741855 0.050 Uiso 1 1 calc R U . . .
H9B H 0.579608 0.652783 0.690651 0.050 Uiso 1 1 calc R U . . .
H9C H 0.684452 0.702838 0.720171 0.050 Uiso 1 1 calc R U . . .
C11 C 1.1018(4) 0.1185(5) 0.55778(18) 0.0345(12) Uani 1 1 d . . . . .
H11A H 1.142791 0.090241 0.588212 0.052 Uiso 1 1 calc R U . . .
H11B H 1.143653 0.162249 0.540892 0.052 Uiso 1 1 calc R U . . .
H11C H 1.071520 0.052013 0.538292 0.052 Uiso 1 1 calc R U . . .
C21 C 1.1020(4) 0.3977(5) 0.5731(2) 0.0412(13) Uani 1 1 d . . . . .
H21A H 1.049653 0.428378 0.546820 0.062 Uiso 1 1 calc R U . . .
H21B H 1.156347 0.365932 0.560526 0.062 Uiso 1 1 calc R U . . .
H21C H 1.127665 0.460550 0.595685 0.062 Uiso 1 1 calc R U . . .
C111 C 0.7987(3) 0.3777(4) 0.64695(14) 0.0197(8) Uani 1 1 d . . . . .
C112 C 0.7020(3) 0.3570(4) 0.65174(15) 0.0236(9) Uani 1 1 d . . . . .
H112 H 0.670281 0.285211 0.640884 0.028 Uiso 1 1 calc R U . . .
C113 C 0.6511(3) 0.4396(4) 0.67214(15) 0.0259(9) Uani 1 1 d . . . . .
H113 H 0.584718 0.424478 0.674364 0.031 Uiso 1 1 calc R U . . .
C114 C 0.6969(3) 0.5444(4) 0.68930(14) 0.0248(9) Uani 1 1 d . . . . .
C115 C 0.7935(4) 0.5645(4) 0.68453(16) 0.0290(10) Uani 1 1 d . . . . .
H115 H 0.825580 0.635906 0.695705 0.035 Uiso 1 1 calc R U . . .
C116 C 0.8440(4) 0.4824(4) 0.66375(17) 0.0261(9) Uani 1 1 d . . . . .
H116 H 0.910000 0.498077 0.661062 0.031 Uiso 1 1 calc R U . . .
C121 C 0.7544(3) 0.2287(4) 0.55066(12) 0.0197(8) Uani 1 1 d . . . . .
C122 C 0.7329(3) 0.1225(4) 0.52669(15) 0.0233(9) Uani 1 1 d . . . . .
H122 H 0.769185 0.054473 0.539137 0.028 Uiso 1 1 calc R U . . .
C123 C 0.6588(3) 0.1162(4) 0.48475(17) 0.0291(10) Uani 1 1 d . . . . .
H123 H 0.643376 0.043033 0.469309 0.035 Uiso 1 1 calc R U . . .
C124 C 0.6067(3) 0.2150(4) 0.46499(15) 0.0303(10) Uani 1 1 d . . . . .
C125 C 0.6301(4) 0.3213(4) 0.48856(16) 0.0290(10) Uani 1 1 d . . . . .
H125 H 0.596274 0.389982 0.475130 0.035 Uiso 1 1 calc R U . . .
C126 C 0.7018(3) 0.3282(4) 0.53128(15) 0.0243(9) Uani 1 1 d . . . . .
H126 H 0.715209 0.400768 0.547368 0.029 Uiso 1 1 calc R U . . .
C131 C 0.8642(3) 0.1125(4) 0.66729(15) 0.0215(8) Uani 1 1 d . . . . .
C132 C 0.8695(4) 0.1473(4) 0.71386(15) 0.0294(10) Uani 1 1 d . . . . .
H132 H 0.869619 0.228043 0.721242 0.035 Uiso 1 1 calc R U . . .
C133 C 0.8747(4) 0.0652(5) 0.74979(17) 0.0325(10) Uani 1 1 d . . . . .
H133 H 0.879518 0.090489 0.781562 0.039 Uiso 1 1 calc R U . . .
C134 C 0.8729(3) -0.0533(4) 0.73972(17) 0.0317(10) Uani 1 1 d . . . . .
C135 C 0.8673(4) -0.0873(5) 0.69305(19) 0.0384(12) Uani 1 1 d . . . . .
H135 H 0.865917 -0.168058 0.685602 0.046 Uiso 1 1 calc R U . . .
C136 C 0.8636(4) -0.0059(4) 0.65682(18) 0.0327(11) Uani 1 1 d . . . . .
H136 H 0.860712 -0.031140 0.625218 0.039 Uiso 1 1 calc R U . . .
Sb2 Sb 0.62072(2) 0.76863(2) 0.89640(2) 0.02026(7) Uani 1 1 d . . . . .
O21 O 0.5102(2) 0.6620(3) 0.89952(12) 0.0346(8) Uani 1 1 d . . . . .
O22 O 0.5444(2) 0.8761(3) 0.93035(12) 0.0337(8) Uani 1 1 d . . . . .
C2 C 0.8130(4) 0.3709(5) 0.78677(16) 0.0344(11) Uani 1 1 d . . . . .
H2A H 0.882641 0.391788 0.788555 0.052 Uiso 1 1 calc R U . . .
H2B H 0.775914 0.368353 0.753324 0.052 Uiso 1 1 calc R U . . .
H2C H 0.810489 0.294153 0.801349 0.052 Uiso 1 1 calc R U . . .
C5 C 0.5865(4) 1.1396(5) 0.72522(19) 0.0434(13) Uani 1 1 d . . . . .
H5A H 0.589657 1.097666 0.696074 0.065 Uiso 1 1 calc R U . . .
H5B H 0.642618 1.194033 0.733765 0.065 Uiso 1 1 calc R U . . .
H5C H 0.523635 1.182911 0.719853 0.065 Uiso 1 1 calc R U . . .
C7 C 0.4416(4) 0.8438(5) 0.91723(17) 0.0358(12) Uani 1 1 d . . . . .
H7 H 0.414341 0.864544 0.882973 0.043 Uiso 1 1 calc R U . . .
C8 C 0.4376(4) 0.7117(5) 0.92217(18) 0.0387(13) Uani 1 1 d . . . . .
H8 H 0.456048 0.690997 0.956785 0.046 Uiso 1 1 calc R U . . .
C10 C 0.9063(3) 0.8102(5) 1.03470(16) 0.0332(11) Uani 1 1 d . . . . .
C31 C 0.3370(4) 0.6588(6) 0.8996(2) 0.0542(16) Uani 1 1 d . . . . .
H31A H 0.288308 0.683502 0.917298 0.081 Uiso 1 1 calc R U . . .
H31B H 0.342392 0.573573 0.900418 0.081 Uiso 1 1 calc R U . . .
H31C H 0.315223 0.684987 0.866451 0.081 Uiso 1 1 calc R U . . .
C41 C 0.3849(4) 0.9111(7) 0.94671(19) 0.0488(16) Uani 1 1 d . . . . .
H41A H 0.313633 0.893595 0.935818 0.073 Uiso 1 1 calc R U . . .
H41B H 0.395731 0.994752 0.943284 0.073 Uiso 1 1 calc R U . . .
H41C H 0.408473 0.888772 0.980265 0.073 Uiso 1 1 calc R U . . .
C211 C 0.6808(3) 0.6290(4) 0.86185(14) 0.0204(8) Uani 1 1 d . . . . .
C212 C 0.6306(3) 0.5261(4) 0.84559(17) 0.0268(10) Uani 1 1 d . . . . .
H212 H 0.566440 0.512120 0.851090 0.032 Uiso 1 1 calc R U . . .
C213 C 0.6731(4) 0.4440(4) 0.82155(17) 0.0304(10) Uani 1 1 d . . . . .
H213 H 0.637215 0.374714 0.810570 0.036 Uiso 1 1 calc R U . . .
C214 C 0.7671(3) 0.4605(4) 0.81302(14) 0.0252(9) Uani 1 1 d . . . . .
C215 C 0.8175(3) 0.5637(4) 0.82940(15) 0.0253(9) Uani 1 1 d . . . . .
H215 H 0.881721 0.577400 0.824055 0.030 Uiso 1 1 calc R U . . .
C216 C 0.7749(3) 0.6461(4) 0.85331(15) 0.0226(8) Uani 1 1 d . . . . .
H216 H 0.810467 0.715683 0.864111 0.027 Uiso 1 1 calc R U . . .
C221 C 0.6075(3) 0.8918(4) 0.83978(15) 0.0225(9) Uani 1 1 d . . . . .
C222 C 0.6019(3) 0.8542(4) 0.79353(15) 0.0280(9) Uani 1 1 d . . . . .
H222 H 0.604003 0.773096 0.787107 0.034 Uiso 1 1 calc R U . . .
C223 C 0.5932(4) 0.9337(5) 0.75666(17) 0.0318(10) Uani 1 1 d . . . . .
H223 H 0.587978 0.906457 0.725126 0.038 Uiso 1 1 calc R U . . .
C224 C 0.5920(3) 1.0533(4) 0.76528(18) 0.0320(10) Uani 1 1 d . . . . .
C225 C 0.5959(4) 1.0894(5) 0.81146(18) 0.0359(11) Uani 1 1 d . . . . .
H225 H 0.594117 1.170484 0.817933 0.043 Uiso 1 1 calc R U . . .
C226 C 0.6024(4) 1.0108(4) 0.84844(17) 0.0309(11) Uani 1 1 d . . . . .
H226 H 0.603413 1.037915 0.879601 0.037 Uiso 1 1 calc R U . . .
C231 C 0.7460(3) 0.7902(4) 0.95482(13) 0.0220(8) Uani 1 1 d . . . . .
C232 C 0.7769(3) 0.8995(4) 0.97405(17) 0.0303(10) Uani 1 1 d . . . . .
H232 H 0.742936 0.967877 0.960370 0.036 Uiso 1 1 calc R U . . .
C233 C 0.8575(3) 0.9078(5) 1.01328(18) 0.0339(11) Uani 1 1 d . . . . .
H233 H 0.879491 0.982626 1.025587 0.041 Uiso 1 1 calc R U . . .
C234 C 0.9941(4) 0.8204(6) 1.07750(17) 0.0451(14) Uani 1 1 d . . . . .
H23A H 1.055745 0.800902 1.068060 0.068 Uiso 1 1 calc R U . . .
H23B H 0.985075 0.766525 1.102432 0.068 Uiso 1 1 calc R U . . .
H23C H 0.998385 0.900442 1.089711 0.068 Uiso 1 1 calc R U . . .
C235 C 0.8745(3) 0.7010(5) 1.01581(16) 0.0311(11) Uani 1 1 d . . . . .
H235 H 0.907282 0.632719 1.030327 0.037 Uiso 1 1 calc R U . . .
C236 C 0.7955(3) 0.6912(4) 0.97604(15) 0.0259(9) Uani 1 1 d . . . . .
H236 H 0.775095 0.616391 0.963223 0.031 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 O11 2.024(3) . ?
Sb1 O12 1.978(3) . ?
Sb1 C111 2.153(4) . ?
Sb1 C121 2.120(4) . ?
Sb1 C131 2.127(4) . ?
O11 C1 1.427(5) . ?
O12 C3 1.430(5) . ?
C1 H1 1.0000 . ?
C1 C3 1.519(7) . ?
C1 C11 1.520(6) . ?
C3 H3 1.0000 . ?
C3 C21 1.519(7) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4 C124 1.511(6) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C6 C134 1.503(6) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 C114 1.504(6) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C111 C112 1.396(6) . ?
C111 C116 1.387(6) . ?
C112 H112 0.9500 . ?
C112 C113 1.393(6) . ?
C113 H113 0.9500 . ?
C113 C114 1.393(7) . ?
C114 C115 1.393(7) . ?
C115 H115 0.9500 . ?
C115 C116 1.392(6) . ?
C116 H116 0.9500 . ?
C121 C122 1.398(6) . ?
C121 C126 1.395(6) . ?
C122 H122 0.9500 . ?
C122 C123 1.388(6) . ?
C123 H123 0.9500 . ?
C123 C124 1.390(7) . ?
C124 C125 1.396(7) . ?
C125 H125 0.9500 . ?
C125 C126 1.388(7) . ?
C126 H126 0.9500 . ?
C131 C132 1.389(6) . ?
C131 C136 1.391(7) . ?
C132 H132 0.9500 . ?
C132 C133 1.391(7) . ?
C133 H133 0.9500 . ?
C133 C134 1.389(7) . ?
C134 C135 1.388(7) . ?
C135 H135 0.9500 . ?
C135 C136 1.395(7) . ?
C136 H136 0.9500 . ?
Sb2 O21 1.974(3) . ?
Sb2 O22 2.022(3) . ?
Sb2 C211 2.156(4) . ?
Sb2 C221 2.137(4) . ?
Sb2 C231 2.122(4) . ?
O21 C8 1.440(6) . ?
O22 C7 1.427(6) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 C214 1.505(6) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C5 C224 1.511(7) . ?
C7 H7 1.0000 . ?
C7 C8 1.524(8) . ?
C7 C41 1.502(7) . ?
C8 H8 1.0000 . ?
C8 C31 1.513(8) . ?
C10 C233 1.375(8) . ?
C10 C234 1.515(6) . ?
C10 C235 1.395(7) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C211 C212 1.393(6) . ?
C211 C216 1.394(6) . ?
C212 H212 0.9500 . ?
C212 C213 1.382(7) . ?
C213 H213 0.9500 . ?
C213 C214 1.392(7) . ?
C214 C215 1.397(7) . ?
C215 H215 0.9500 . ?
C215 C216 1.383(6) . ?
C216 H216 0.9500 . ?
C221 C222 1.389(6) . ?
C221 C226 1.392(7) . ?
C222 H222 0.9500 . ?
C222 C223 1.386(7) . ?
C223 H223 0.9500 . ?
C223 C224 1.395(8) . ?
C224 C225 1.386(7) . ?
C225 H225 0.9500 . ?
C225 C226 1.385(7) . ?
C226 H226 0.9500 . ?
C231 C232 1.396(7) . ?
C231 C236 1.390(6) . ?
C232 H232 0.9500 . ?
C232 C233 1.389(7) . ?
C233 H233 0.9500 . ?
C234 H23A 0.9800 . ?
C234 H23B 0.9800 . ?
C234 H23C 0.9800 . ?
C235 H235 0.9500 . ?
C235 C236 1.387(7) . ?
C236 H236 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O11 Sb1 C111 168.28(14) . . ?
O11 Sb1 C121 92.05(14) . . ?
O11 Sb1 C131 86.50(15) . . ?
O12 Sb1 O11 81.54(13) . . ?
O12 Sb1 C111 87.57(15) . . ?
O12 Sb1 C121 117.87(14) . . ?
O12 Sb1 C131 124.90(15) . . ?
C121 Sb1 C111 96.88(15) . . ?
C121 Sb1 C131 116.14(16) . . ?
C131 Sb1 C111 96.29(16) . . ?
C1 O11 Sb1 109.0(3) . . ?
C3 O12 Sb1 114.6(3) . . ?
O11 C1 H1 108.8 . . ?
O11 C1 C3 107.9(3) . . ?
O11 C1 C11 108.6(4) . . ?
C3 C1 H1 108.8 . . ?
C3 C1 C11 113.8(4) . . ?
C11 C1 H1 108.8 . . ?
O12 C3 C1 108.9(3) . . ?
O12 C3 H3 108.5 . . ?
O12 C3 C21 108.5(4) . . ?
C1 C3 H3 108.5 . . ?
C21 C3 C1 113.9(4) . . ?
C21 C3 H3 108.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C124 C4 H4A 109.5 . . ?
C124 C4 H4B 109.5 . . ?
C124 C4 H4C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C134 C6 H6A 109.5 . . ?
C134 C6 H6B 109.5 . . ?
C134 C6 H6C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C114 C9 H9A 109.5 . . ?
C114 C9 H9B 109.5 . . ?
C114 C9 H9C 109.5 . . ?
C1 C11 H11A 109.5 . . ?
C1 C11 H11B 109.5 . . ?
C1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C3 C21 H21A 109.5 . . ?
C3 C21 H21B 109.5 . . ?
C3 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C112 C111 Sb1 116.8(3) . . ?
C116 C111 Sb1 124.9(3) . . ?
C116 C111 C112 118.4(4) . . ?
C111 C112 H112 119.4 . . ?
C113 C112 C111 121.2(4) . . ?
C113 C112 H112 119.4 . . ?
C112 C113 H113 119.8 . . ?
C112 C113 C114 120.3(4) . . ?
C114 C113 H113 119.8 . . ?
C113 C114 C9 120.6(4) . . ?
C115 C114 C9 121.2(4) . . ?
C115 C114 C113 118.2(4) . . ?
C114 C115 H115 119.3 . . ?
C116 C115 C114 121.5(4) . . ?
C116 C115 H115 119.3 . . ?
C111 C116 C115 120.4(4) . . ?
C111 C116 H116 119.8 . . ?
C115 C116 H116 119.8 . . ?
C122 C121 Sb1 121.1(3) . . ?
C126 C121 Sb1 119.8(3) . . ?
C126 C121 C122 119.1(3) . . ?
C121 C122 H122 119.9 . . ?
C123 C122 C121 120.2(4) . . ?
C123 C122 H122 119.9 . . ?
C122 C123 H123 119.5 . . ?
C122 C123 C124 121.1(4) . . ?
C124 C123 H123 119.5 . . ?
C123 C124 C4 120.8(5) . . ?
C123 C124 C125 118.4(4) . . ?
C125 C124 C4 120.8(4) . . ?
C124 C125 H125 119.5 . . ?
C126 C125 C124 121.0(4) . . ?
C126 C125 H125 119.5 . . ?
C121 C126 H126 119.9 . . ?
C125 C126 C121 120.1(4) . . ?
C125 C126 H126 119.9 . . ?
C132 C131 Sb1 119.2(3) . . ?
C132 C131 C136 119.2(4) . . ?
C136 C131 Sb1 121.5(3) . . ?
C131 C132 H132 119.7 . . ?
C131 C132 C133 120.7(5) . . ?
C133 C132 H132 119.7 . . ?
C132 C133 H133 119.6 . . ?
C134 C133 C132 120.7(5) . . ?
C134 C133 H133 119.6 . . ?
C133 C134 C6 120.9(5) . . ?
C135 C134 C6 120.9(5) . . ?
C135 C134 C133 118.2(4) . . ?
C134 C135 H135 119.2 . . ?
C134 C135 C136 121.6(5) . . ?
C136 C135 H135 119.2 . . ?
C131 C136 C135 119.6(5) . . ?
C131 C136 H136 120.2 . . ?
C135 C136 H136 120.2 . . ?
O21 Sb2 O22 81.74(14) . . ?
O21 Sb2 C211 87.06(15) . . ?
O21 Sb2 C221 121.33(15) . . ?
O21 Sb2 C231 121.83(15) . . ?
O22 Sb2 C211 168.75(15) . . ?
O22 Sb2 C221 90.59(15) . . ?
O22 Sb2 C231 87.90(14) . . ?
C221 Sb2 C211 96.19(16) . . ?
C231 Sb2 C211 97.15(15) . . ?
C231 Sb2 C221 115.82(16) . . ?
C8 O21 Sb2 114.0(3) . . ?
C7 O22 Sb2 108.3(3) . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C214 C2 H2A 109.5 . . ?
C214 C2 H2B 109.5 . . ?
C214 C2 H2C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C224 C5 H5A 109.5 . . ?
C224 C5 H5B 109.5 . . ?
C224 C5 H5C 109.5 . . ?
O22 C7 H7 108.4 . . ?
O22 C7 C8 106.8(4) . . ?
O22 C7 C41 109.7(5) . . ?
C8 C7 H7 108.4 . . ?
C41 C7 H7 108.4 . . ?
C41 C7 C8 115.0(5) . . ?
O21 C8 C7 107.8(4) . . ?
O21 C8 H8 108.9 . . ?
O21 C8 C31 108.2(5) . . ?
C7 C8 H8 108.9 . . ?
C31 C8 C7 114.1(5) . . ?
C31 C8 H8 108.9 . . ?
C233 C10 C234 121.0(5) . . ?
C233 C10 C235 118.8(4) . . ?
C235 C10 C234 120.3(5) . . ?
C8 C31 H31A 109.5 . . ?
C8 C31 H31B 109.5 . . ?
C8 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C7 C41 H41A 109.5 . . ?
C7 C41 H41B 109.5 . . ?
C7 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C212 C211 Sb2 124.8(3) . . ?
C212 C211 C216 118.0(4) . . ?
C216 C211 Sb2 117.2(3) . . ?
C211 C212 H212 119.7 . . ?
C213 C212 C211 120.7(4) . . ?
C213 C212 H212 119.7 . . ?
C212 C213 H213 119.2 . . ?
C212 C213 C214 121.6(4) . . ?
C214 C213 H213 119.2 . . ?
C213 C214 C2 121.4(4) . . ?
C213 C214 C215 117.7(4) . . ?
C215 C214 C2 120.9(4) . . ?
C214 C215 H215 119.6 . . ?
C216 C215 C214 120.8(4) . . ?
C216 C215 H215 119.6 . . ?
C211 C216 H216 119.4 . . ?
C215 C216 C211 121.3(4) . . ?
C215 C216 H216 119.4 . . ?
C222 C221 Sb2 120.4(3) . . ?
C222 C221 C226 119.0(4) . . ?
C226 C221 Sb2 120.6(3) . . ?
C221 C222 H222 119.7 . . ?
C223 C222 C221 120.6(4) . . ?
C223 C222 H222 119.7 . . ?
C222 C223 H223 119.6 . . ?
C222 C223 C224 120.8(4) . . ?
C224 C223 H223 119.6 . . ?
C223 C224 C5 120.5(5) . . ?
C225 C224 C5 121.7(5) . . ?
C225 C224 C223 117.8(4) . . ?
C224 C225 H225 119.0 . . ?
C226 C225 C224 121.9(5) . . ?
C226 C225 H225 119.0 . . ?
C221 C226 H226 120.1 . . ?
C225 C226 C221 119.8(5) . . ?
C225 C226 H226 120.1 . . ?
C232 C231 Sb2 122.3(3) . . ?
C236 C231 Sb2 118.4(3) . . ?
C236 C231 C232 119.1(4) . . ?
C231 C232 H232 120.1 . . ?
C233 C232 C231 119.7(5) . . ?
C233 C232 H232 120.1 . . ?
C10 C233 C232 121.4(5) . . ?
C10 C233 H233 119.3 . . ?
C232 C233 H233 119.3 . . ?
C10 C234 H23A 109.5 . . ?
C10 C234 H23B 109.5 . . ?
C10 C234 H23C 109.5 . . ?
H23A C234 H23B 109.5 . . ?
H23A C234 H23C 109.5 . . ?
H23B C234 H23C 109.5 . . ?
C10 C235 H235 119.7 . . ?
C236 C235 C10 120.5(5) . . ?
C236 C235 H235 119.7 . . ?
C231 C236 H236 119.8 . . ?
C235 C236 C231 120.4(4) . . ?
C235 C236 H236 119.8 . . ?

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 O11 C1 C3 44.5(4) . . . . ?
Sb1 O11 C1 C11 168.3(3) . . . . ?
Sb1 O12 C3 C1 20.8(4) . . . . ?
Sb1 O12 C3 C21 145.2(3) . . . . ?
Sb1 C111 C112 C113 180.0(3) . . . . ?
Sb1 C111 C116 C115 -179.3(3) . . . . ?
Sb1 C121 C122 C123 -179.9(3) . . . . ?
Sb1 C121 C126 C125 177.9(3) . . . . ?
Sb1 C131 C132 C133 -175.5(4) . . . . ?
Sb1 C131 C136 C135 176.4(4) . . . . ?
O11 C1 C3 O12 -42.6(4) . . . . ?
O11 C1 C3 C21 -163.8(4) . . . . ?
C4 C124 C125 C126 177.4(4) . . . . ?
C6 C134 C135 C136 179.9(5) . . . . ?
C9 C114 C115 C116 179.0(4) . . . . ?
C11 C1 C3 O12 -163.2(4) . . . . ?
C11 C1 C3 C21 75.6(5) . . . . ?
C111 C112 C113 C114 -1.5(7) . . . . ?
C112 C111 C116 C115 -0.4(7) . . . . ?
C112 C113 C114 C9 -178.4(4) . . . . ?
C112 C113 C114 C115 1.3(6) . . . . ?
C113 C114 C115 C116 -0.7(7) . . . . ?
C114 C115 C116 C111 0.3(7) . . . . ?
C116 C111 C112 C113 1.0(6) . . . . ?
C121 C122 C123 C124 2.0(7) . . . . ?
C122 C121 C126 C125 -0.6(6) . . . . ?
C122 C123 C124 C4 -179.5(4) . . . . ?
C122 C123 C124 C125 -0.6(7) . . . . ?
C123 C124 C125 C126 -1.5(7) . . . . ?
C124 C125 C126 C121 2.1(7) . . . . ?
C126 C121 C122 C123 -1.4(6) . . . . ?
C131 C132 C133 C134 -1.1(7) . . . . ?
C132 C131 C136 C135 0.7(7) . . . . ?
C132 C133 C134 C6 -178.9(5) . . . . ?
C132 C133 C134 C135 0.9(7) . . . . ?
C133 C134 C135 C136 0.1(8) . . . . ?
C134 C135 C136 C131 -0.9(8) . . . . ?
C136 C131 C132 C133 0.3(7) . . . . ?
Sb2 O21 C8 C7 24.8(5) . . . . ?
Sb2 O21 C8 C31 148.7(4) . . . . ?
Sb2 O22 C7 C8 47.3(4) . . . . ?
Sb2 O22 C7 C41 172.5(4) . . . . ?
Sb2 C211 C212 C213 176.5(3) . . . . ?
Sb2 C211 C216 C215 -177.0(3) . . . . ?
Sb2 C221 C222 C223 179.9(3) . . . . ?
Sb2 C221 C226 C225 178.7(4) . . . . ?
Sb2 C231 C232 C233 177.9(3) . . . . ?
Sb2 C231 C236 C235 -176.7(3) . . . . ?
O22 C7 C8 O21 -47.0(5) . . . . ?
O22 C7 C8 C31 -167.2(4) . . . . ?
C2 C214 C215 C216 179.7(4) . . . . ?
C5 C224 C225 C226 -179.0(5) . . . . ?
C10 C235 C236 C231 -0.9(7) . . . . ?
C41 C7 C8 O21 -168.9(4) . . . . ?
C41 C7 C8 C31 70.8(6) . . . . ?
C211 C212 C213 C214 0.5(7) . . . . ?
C212 C211 C216 C215 0.0(6) . . . . ?
C212 C213 C214 C2 -180.0(4) . . . . ?
C212 C213 C214 C215 -0.4(7) . . . . ?
C213 C214 C215 C216 0.1(6) . . . . ?
C214 C215 C216 C211 0.0(6) . . . . ?
C216 C211 C212 C213 -0.3(7) . . . . ?
C221 C222 C223 C224 1.3(7) . . . . ?
C222 C221 C226 C225 -2.6(7) . . . . ?
C222 C223 C224 C5 177.6(5) . . . . ?
C222 C223 C224 C225 -2.4(7) . . . . ?
C223 C224 C225 C226 1.0(8) . . . . ?
C224 C225 C226 C221 1.5(8) . . . . ?
C226 C221 C222 C223 1.2(7) . . . . ?
C231 C232 C233 C10 -1.9(7) . . . . ?
C232 C231 C236 C235 0.0(6) . . . . ?
C233 C10 C235 C236 0.3(7) . . . . ?
C234 C10 C233 C232 -179.9(4) . . . . ?
C234 C10 C235 C236 -178.7(4) . . . . ?
C235 C10 C233 C232 1.1(7) . . . . ?
C236 C231 C232 C233 1.3(6) . . . . ?

_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 1.561
_oxdiff_exptl_absorpt_empirical_full_min 0.656
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 1.009(5)
2 -0.009(5)
####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 2265798'
loop_
_audit_author_name
_audit_author_address
'Timothy Johnstone'
;University of California, Santa Cruz
United States of America
;
_audit_update_record             
;
2023-05-27 deposited with the CCDC.	2023-06-20 downloaded from the CCDC.
;
_audit_creation_date             2022-12-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H31 O2 Sb'
_chemical_formula_sum            'C27 H31 O2 Sb'
_chemical_formula_weight         509.27
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Sb O2 C27 H31'
_chemical_oxdiff_usercomment     BLK0546
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   8.8969(2)
_cell_length_b                   9.3354(2)
_cell_length_c                   15.1475(4)
_cell_angle_alpha                76.082(2)
_cell_angle_beta                 78.930(2)
_cell_angle_gamma                74.721(2)
_cell_volume                     1166.83(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    20738
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      76.6710
_cell_measurement_theta_min      2.9970
_shelx_estimated_absorpt_T_max   0.599
_shelx_estimated_absorpt_T_min   0.421
_exptl_absorpt_coefficient_mu    9.523
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.663
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.64a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             520
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 -2 1 0.0428
-1 -1 1 0.0435
2 1 -2 0.0419
1 -2 -1 0.0433
-1 2 1 0.0527
-1 2 2 0.0560
1 -2 -2 0.0519
0 2 1 0.0560
-1 1 2 0.0583
0 -2 -1 0.0446
0 1 1 0.0601
0 -1 -1 0.0488
-1 -2 -2 0.0540
0 -1 -2 0.0582
1 1 2 0.0478
-1 -1 -2 0.0501
0 0 1 0.0358
0 0 -1 0.0518
-1 0 -2 0.0321
2 1 0 0.0338
-2 -1 0 0.0422
-1 1 -2 0.0392
0 -1 2 0.0332
-1 1 -1 0.0358
1 2 1 0.0469
1 1 0 0.0378
2 1 1 0.0265
1 0 1 0.0155
1 -2 2 0.0244
1 1 -2 0.0401

_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.9998 -1.9984 0.9979 -0.0508 -0.1844 0.3469
-0.9995 -0.9990 0.9984 -0.0197 -0.0325 0.2668
1.9987 0.9987 -1.9972 0.0085 -0.0868 -0.4534
0.9986 -1.9990 -0.9998 -0.0733 -0.4231 -0.0264
-0.9986 1.9990 0.9998 0.0733 0.4231 0.0264
-0.9985 1.9990 1.9989 0.1516 0.4202 0.0974
0.9985 -1.9990 -1.9989 -0.1516 -0.4202 -0.0974
0.0007 1.9987 1.0001 0.1403 0.3009 -0.0893
-0.9988 0.9997 1.9985 0.1205 0.2683 0.1775
-0.0007 -1.9987 -1.0001 -0.1403 -0.3009 0.0893
0.0004 0.9994 0.9996 0.1093 0.1490 -0.0091
-0.0004 -0.9994 -0.9996 -0.1093 -0.1490 0.0091
-1.0000 -1.9984 -1.9996 -0.2855 -0.1758 0.1339
-0.0005 -0.9994 -1.9988 -0.1875 -0.1461 -0.0619
0.9997 0.9990 1.9991 0.2545 0.0239 -0.0538
-0.9997 -0.9990 -1.9991 -0.2545 -0.0239 0.0538
0.0001 0.0000 0.9992 0.0782 -0.0029 0.0710
-0.0001 -0.0000 -0.9992 -0.0782 0.0029 -0.0710
-0.9994 0.0003 -1.9986 -0.2235 0.1279 -0.0263
1.9988 0.9987 0.0011 0.1650 -0.0926 -0.3114
-1.9988 -0.9987 -0.0011 -0.1650 0.0926 0.3114
-0.9991 0.9996 -1.9982 -0.1924 0.2798 -0.1065
-0.0001 -0.9993 1.9979 0.1255 -0.1576 0.2221
-0.9991 0.9997 -0.9990 -0.1142 0.2769 -0.0355
1.0000 1.9984 1.0004 0.2073 0.1786 -0.2049
0.9996 0.9990 0.0008 0.0980 0.0296 -0.1958
1.9989 0.9987 1.0003 0.2432 -0.0954 -0.2404
0.9994 -0.0003 0.9995 0.1452 -0.1251 -0.0447
0.9988 -1.9990 1.9977 0.1614 -0.4316 0.1866
0.9994 0.9990 -1.9975 -0.0585 0.0354 -0.3378

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_unetI/netI     0.0403
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            28265
_diffrn_reflns_point_group_measured_fraction_full 0.949
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_theta_full        66.575
_diffrn_reflns_theta_max         66.575
_diffrn_reflns_theta_min         3.034
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_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      6.00  31.00   0.50    0.05    --   24.00  71.00 164.47   50
  2  ω      6.00  31.00   0.50    0.05    --   24.00  71.00  26.17   50
  3  ω     -6.00  19.00   0.50    0.05    --   16.00  80.00 -76.84   50
  4  ω     17.00  42.00   0.50    0.05    --   32.00  63.00 -14.76   50
  5  ω     17.00  42.00   0.50    0.05    --   32.00  63.00 -68.53   50
  6  ω      6.00  31.00   0.50    0.05    --   24.00  71.00-117.28   50
  7  ω     36.00  72.00   0.50    0.05    --   49.41  64.00-114.00   72
  8  ω     88.00 115.00   0.50    0.05    --   49.41  64.00-114.00   54
  9  ω     22.00  47.00   0.50    0.05    --   36.00  61.00   2.81   50
 10  ω     22.00  47.00   0.50    0.05    --   36.00  61.00-121.94   50
 11  ω     22.00  47.00   0.50    0.05    --   36.00  61.00  43.07   50
 12  ω     22.00  47.00   0.50    0.05    --   36.00  61.00  98.57   50
 13  ω     22.00  47.00   0.50    0.05    --   36.00  60.00 135.68   50
 14  ω     22.00  47.00   0.50    0.05    --   36.00  61.00 122.72   50
 15  ω     38.00  64.00   0.50    0.05    --   49.41  56.00  41.57   52
 16  ω     25.00  50.00   0.50    0.05    --   36.00  59.00-166.22   50
 17  ω    -17.00   8.00   0.50    0.05    --   12.00  94.00-159.33   50
 18  ω    -40.00   2.00   0.50    0.05    --  -49.41  64.00-114.00   84
 19  ω    -68.00 -42.00   0.50    0.22    --  -84.25  64.00-114.00   52
 20  ω    -42.00 -16.00   0.50    0.22    --  -84.25  38.00  30.00   52
 21  ω    -41.00 -16.00   0.50    0.22    --  -84.25  38.00  90.00   50
 22  ω     -6.00  20.00   0.50    0.05    --   16.00  83.00  73.03   52
 23  ω    -20.00  52.00   0.50    0.05    --   49.41 -64.00 109.00  144
 24  ω    -37.00 -12.00   0.50    0.05    --  -28.00 -67.00 -47.33   50
 25  ω    -53.00 -28.00   0.50    0.05    --  -40.00 -59.00  19.78   50
 26  ω    -71.00 -34.00   0.50    0.05    --  -49.41 -64.00 109.00   74
 27  ω   -102.00 -69.00   0.50    0.22    --  -84.25 -64.00 109.00   66
 28  ω   -155.00-127.00   0.50    0.22    --  -84.25 -64.00 109.00   56
 29  ω   -154.00-128.00   0.50    0.22    --  -84.25 -57.00  60.00   52
 30  ω   -119.00 -84.00   0.50    0.22    --  -84.25 -57.00  60.00   70
 31  ω    -90.00 -63.00   0.50    0.22    --  -76.00 -56.00 156.91   54
 32  ω    -88.00 -63.00   0.50    0.22    --  -76.00 -56.00 100.18   50
 33  ω    -71.00 -43.00   0.50    0.05    --  -56.00 -56.00  57.76   56
 34  ω   -102.00 -76.00   0.50    0.22    --  -84.25 -56.00  66.36   52
 35  ω    -91.00 -65.00   0.50    0.22    --  -76.00 -56.00  27.20   52
 36  ω    -94.00 -63.00   0.50    0.22    --  -76.00 -56.00 -31.91   62
 37  ω    -99.00 -66.00   0.50    0.22    --  -76.00 -56.00-110.30   66
 38  ω   -131.00-101.00   0.50    0.22    --  -84.25 -55.00-177.61   60
 39  ω   -153.00-127.00   0.50    0.22    --  -84.25 -56.00  66.36   52
 40  ω    -81.00 -56.00   0.50    0.22    --  -68.00 -55.00 162.27   50
 41  ω    -83.00 -56.00   0.50    0.22    --  -68.00 -55.00 114.98   54
 42  ω   -101.00 -76.00   0.50    0.22    --  -84.25 -55.00 132.09   50
 43  ω   -144.00-116.00   0.50    0.22    --  -84.25 -55.00 132.09   56
 44  ω   -147.00-121.00   0.50    0.22    --  -84.25 -55.00  24.75   52
 45  ω    -74.00 -48.00   0.50    0.05    --  -60.00 -55.00  36.90   52
 46  ω   -101.00 -69.00   0.50    0.05    --  -52.00 -55.00-126.35   64
 47  ω    -65.00 -40.00   0.50    0.05    --  -52.00 -55.00-126.35   50
 48  ω    -94.00 -64.00   0.50    0.22    --  -76.00 -55.00-129.66   60
 49  ω   -100.00 -72.00   0.50    0.22    --  -84.25 -55.00-156.96   56
 50  ω   -103.00 -72.00   0.50    0.22    --  -84.25 -55.00 -85.38   62
 51  ω    -97.00 -72.00   0.50    0.22    --  -84.25 -55.00-177.61   50
 52  ω   -151.00-125.00   0.50    0.22    --  -84.25 -55.00 -85.38   52
 53  ω   -156.00-119.00   0.50    0.22    --  -84.25 -54.00 -55.28   74
 54  ω    -94.00 -56.00   0.50    0.22    --  -68.00 -54.00 -60.49   76
 55  ω   -101.00 -72.00   0.50    0.22    --  -84.25 -54.00 -15.05   58
 56  ω    -86.00 -60.00   0.50    0.22    --  -72.00 -54.00  -6.40   52
 57  ω    -97.00 -72.00   0.50    0.22    --  -84.25 -55.00  24.75   50
 58  ω    -86.00 -60.00   0.50    0.22    --  -72.00 -54.00  31.97   52
 59  ω    -99.00 -72.00   0.50    0.22    --  -84.25 -55.00  82.92   54
 60  ω   -107.00 -73.00   0.50    0.22    --  -84.25 -53.00 160.73   68
 61  ω   -148.00-121.00   0.50    0.22    --  -84.25 -55.00  82.92   54
 62  ω   -143.00-118.00   0.50    0.22    --  -84.25 -54.00 -15.05   50
 63  ω   -103.00 -77.00   0.50    0.22    --  -84.25 -51.00  -0.70   52
 64  ω    -97.00 -72.00   0.50    0.22    --  -84.25 -54.00 -55.28   50
 65  ω    -86.00 -49.00   0.50    0.05    --  -60.00 -52.00 -97.62   74
 66  ω   -100.00 -75.00   0.50    0.22    --  -84.25 -53.00-130.35   50
 67  ω   -113.00 -80.00   0.50    0.22    --  -84.25 -49.00-144.35   66
 68  ω   -156.00-117.00   0.50    0.22    --  -84.25 -53.00-130.35   78
 69  ω   -145.00-120.00   0.50    0.22    --  -84.25 -47.00 -80.77   50
 70  ω   -100.00 -74.00   0.50    0.22    --  -84.25 -47.00 -80.77   52
 71  ω   -118.00 -93.00   0.50    0.05    --  -49.41-125.00  60.00   50
 72  ω   -118.00 -93.00   0.50    0.05    --  -49.41-125.00  90.00   50
 73  ω     37.00  66.00   0.50    0.22    --  105.75 -57.00-120.00   58
 74  ω     34.00  66.00   0.50    0.22    --  105.75 -57.00 -90.00   64
 75  ω     37.00  65.00   0.50    0.22    --  105.75 -57.00 -60.00   56
 76  ω     35.00 101.00   0.50    0.22    --  105.75 -77.00  30.00  132
 77  ω     43.00  76.00   0.50    0.22    --  105.75 -64.00 109.00   66
 78  ω    100.00 168.00   0.50    0.22    --  105.75  77.00-150.00  136
 79  ω    135.00 177.00   0.50    0.22    --  105.75  64.00-114.00   84
 80  ω    107.00 146.00   0.50    0.22    --  105.75  77.00-120.00   78
 81  ω     92.00 118.00   0.50    0.22    --  105.75  64.00-114.00   52
 82  ω    148.00 174.00   0.50    0.22    --  105.75  57.00  30.00   52
 83  ω     97.00 123.00   0.50    0.22    --  105.75  57.00  30.00   52
 84  ω    149.00 175.00   0.50    0.22    --  105.75  77.00 120.00   52
 85  ω    103.00 173.00   0.50    0.22    --  105.75  57.00  90.00  140
 86  ω    122.00 147.00   0.50    0.22    --  105.75  77.00 120.00   50
 87  ω     98.00 155.00   0.50    0.22    --  105.75  57.00 120.00  114
 88  ω     93.00 128.00   0.50    0.22    --  105.75  57.00   0.00   70
 89  ω    138.00 168.00   0.50    0.22    --  105.75  57.00   0.00   60
 90  ω    143.00 172.00   0.50    0.22    --  105.75  38.00 -30.00   58
 91  ω    130.00 171.00   0.50    0.22    --  105.75  57.00 -60.00   82
 92  ω    100.00 125.00   0.50    0.22    --  105.75  57.00 -60.00   50
 93  ω    102.00 138.00   0.50    0.22    --  105.75  38.00 -30.00   72
 94  ω    140.00 175.00   0.50    0.22    --  105.75  38.00-180.00   70
 95  ω     99.00 127.00   0.50    0.22    --  105.75  38.00-150.00   56
 96  ω    108.00 133.00   0.50    0.22    --  105.75  38.00-180.00   50
 97  ω     36.00  67.00   0.50    0.22    --  105.75 -99.00 -90.00   62
 98  ω     37.00 108.00   0.50    0.22    --  105.75-125.00-150.00  142
 99  ω     36.00 106.00   0.50    0.22    --  105.75 -99.00-150.00  140
100  ω     74.00 105.00   0.50    0.22    --  105.75 -99.00 -90.00   62
101  ω     36.00  92.00   0.50    0.05    --   49.41-125.00 -60.00  112
102  ω     59.00 109.00   0.50    0.22    --  105.75-125.00   0.00  100
103  ω     41.00  67.00   0.50    0.22    --  105.75 -99.00  30.00   52
104  ω     66.00 106.00   0.50    0.22    --  105.75 -99.00   0.00   80
105  ω     71.00 106.00   0.50    0.22    --  105.75 -99.00  60.00   70
106  ω     48.00 105.00   0.50    0.22    --  105.75 -99.00 120.00  114
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0670029000
_diffrn_orient_matrix_UB_12      0.0309875000
_diffrn_orient_matrix_UB_13      0.0783031000
_diffrn_orient_matrix_UB_21      -0.1222474000
_diffrn_orient_matrix_UB_22      0.1519934000
_diffrn_orient_matrix_UB_23      -0.0028531000
_diffrn_orient_matrix_UB_31      -0.1157883000
_diffrn_orient_matrix_UB_32      -0.0801862000
_diffrn_orient_matrix_UB_33      0.0710672000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.897
_reflns_Friedel_fraction_full    0.897
_reflns_Friedel_fraction_max     0.897
_reflns_number_gt                7468
_reflns_number_total             7799
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.64a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.64a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.64a (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         0.701
_refine_diff_density_min         -0.611
_refine_diff_density_rms         0.055
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   -0.021(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     585
_refine_ls_number_reflns         7799
_refine_ls_number_restraints     303
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0251
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0290P)²+0.3133P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0612
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 1.021(10)
 -0.021(10)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Uiso/Uaniso restraints and constraints
C221 \\sim C22A \\sim C23A \\sim C25A \\sim C26A \\sim C22B \\sim C23B \\sim
C25B \\sim C26B \\sim C224 \\sim C227: within 2A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 2A
C121 \\sim C22C \\sim C23C \\sim C25C \\sim C26C \\sim C124 \\sim C127: within
2A with sigma of 0.02 and sigma for terminal atoms of 0.04 within 2A
4. Rigid body (RIGU) restrains
 C221, C22A, C23A, C25A, C26A, C22B, C23B, C25B, C26B, C224, C227
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C121, C22C, C23C, C25C, C26C, C124, C127
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
5. Others
 Sof(C22B)=Sof(H22B)=Sof(C23B)=Sof(H23D)=Sof(C25B)=Sof(H25D)=Sof(C26B)=
 Sof(H26D)=1-FVAR(1)
 Sof(C22A)=Sof(H22A)=Sof(C23A)=Sof(H23C)=Sof(C25A)=Sof(H25C)=Sof(C26A)=
 Sof(H26C)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C11(H11), C12(H12), C21(H21), C22(H22)
6.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C23(H23A,
 H23B), C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B)
6.c Aromatic/amide H refined with riding coordinates:
 C112(H112), C113(H113), C115(H115), C116(H116), C22C(H22F), C23C(H23H),
 C25C(H25E), C26C(H26E), C132(H132), C133(H133), C135(H135), C136(H136),
 C212(H212), C213(H213), C215(H215), C216(H216), C22A(H22A), C23A(H23C),
 C25A(H25C), C26A(H26C), C22B(H22B), C23B(H23D), C25B(H25D), C26B(H26D),
 C232(H232), C233(H233), C235(H235), C236(H236)
6.d Idealised Me refined as rotating group:
 C117(H11A,H11B,H11C), C127(H12A,H12B,H12C), C137(H13C,H13D,H13E), C217(H21A,
 H21B,H21C), C227(H22C,H22D,H22E), C237(H23E,H23F,H23G)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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 0.35190(3) 0.83759(2) 0.76873(2) 0.02167(12) Uani 1 1 d . . . . .
O11 O 0.3114(7) 1.0133(7) 0.8350(4) 0.0251(14) Uani 1 1 d . . . . .
O12 O 0.5743(7) 0.8382(7) 0.7689(4) 0.0267(13) Uani 1 1 d . . . . .
C11 C 0.4460(6) 1.0730(7) 0.8147(4) 0.0242(12) Uani 1 1 d . . . . .
H11 H 0.452117 1.131157 0.749922 0.029 Uiso 1 1 calc R U . . .
C12 C 0.5889(8) 0.9390(7) 0.8225(5) 0.0248(15) Uani 1 1 d . . . . .
H12 H 0.585346 0.884703 0.888123 0.030 Uiso 1 1 calc R U . . .
C13 C 0.7404(10) 0.9912(10) 0.7942(6) 0.0306(18) Uani 1 1 d . . . . .
H13A H 0.746739 1.045723 0.729385 0.037 Uiso 1 1 calc R U . . .
H13B H 0.830882 0.902706 0.799834 0.037 Uiso 1 1 calc R U . . .
C14 C 0.7456(10) 1.0971(10) 0.8568(6) 0.0290(18) Uani 1 1 d . . . . .
H14A H 0.752112 1.038186 0.920234 0.035 Uiso 1 1 calc R U . . .
H14B H 0.841460 1.137678 0.835637 0.035 Uiso 1 1 calc R U . . .
C15 C 0.6002(7) 1.2300(7) 0.8570(4) 0.0290(12) Uani 1 1 d . . . . .
H15A H 0.602531 1.287242 0.903682 0.035 Uiso 1 1 calc R U . . .
H15B H 0.604455 1.299469 0.796284 0.035 Uiso 1 1 calc R U . . .
C16 C 0.4466(11) 1.1775(9) 0.8775(6) 0.0266(18) Uani 1 1 d . . . . .
H16A H 0.432602 1.123515 0.942240 0.032 Uiso 1 1 calc R U . . .
H16B H 0.357444 1.266842 0.869017 0.032 Uiso 1 1 calc R U . . .
C111 C 0.4350(12) 0.6462(10) 0.7015(6) 0.025(2) Uani 1 1 d . . . . .
C112 C 0.3238(11) 0.5660(10) 0.6982(6) 0.0279(19) Uani 1 1 d . . . . .
H112 H 0.219041 0.595185 0.727197 0.033 Uiso 1 1 calc R U . . .
C113 C 0.3634(12) 0.4453(10) 0.6534(6) 0.029(2) Uani 1 1 d . . . . .
H113 H 0.285790 0.393376 0.651713 0.035 Uiso 1 1 calc R U . . .
C114 C 0.5184(12) 0.3992(10) 0.6104(6) 0.032(2) Uani 1 1 d . . . . .
C115 C 0.6255(12) 0.4835(11) 0.6122(6) 0.0325(19) Uani 1 1 d . . . . .
H115 H 0.729254 0.457913 0.581107 0.039 Uiso 1 1 calc R U . . .
C116 C 0.5860(11) 0.6029(10) 0.6575(6) 0.0307(19) Uani 1 1 d . . . . .
H116 H 0.663231 0.655821 0.658512 0.037 Uiso 1 1 calc R U . . .
C117 C 0.5639(14) 0.2680(10) 0.5613(6) 0.041(2) Uani 1 1 d . . . . .
H11A H 0.603691 0.303038 0.496820 0.061 Uiso 1 1 calc R U . . .
H11B H 0.471617 0.227313 0.564658 0.061 Uiso 1 1 calc R U . . .
H11C H 0.646041 0.188513 0.590480 0.061 Uiso 1 1 calc R U . . .
C121 C 0.2363(10) 0.9870(10) 0.6595(6) 0.0283(16) Uani 1 1 d . U . . .
C22C C 0.1221(13) 1.1171(13) 0.6752(7) 0.049(3) Uani 1 1 d . U . . .
H22F H 0.095398 1.139681 0.734962 0.059 Uiso 1 1 calc R U . . .
C23C C 0.0491(14) 1.2118(15) 0.6037(8) 0.062(3) Uani 1 1 d . U . . .
H23H H -0.029024 1.299601 0.614554 0.075 Uiso 1 1 calc R U . . .
C25C C 0.2054(15) 1.0565(13) 0.5004(8) 0.048(2) Uani 1 1 d . U . . .
H25E H 0.237767 1.036440 0.440216 0.058 Uiso 1 1 calc R U . . .
C26C C 0.2765(14) 0.9607(11) 0.5722(7) 0.044(2) Uani 1 1 d . U . . .
H26E H 0.355668 0.873815 0.560979 0.053 Uiso 1 1 calc R U . . .
C124 C 0.0880(12) 1.1813(14) 0.5147(8) 0.049(2) Uani 1 1 d . U . . .
C127 C 0.0049(15) 1.2862(18) 0.4360(10) 0.078(4) Uani 1 1 d . U . . .
H12A H -0.109206 1.303377 0.454156 0.117 Uiso 1 1 calc R U . . .
H12B H 0.034247 1.239457 0.381841 0.117 Uiso 1 1 calc R U . . .
H12C H 0.036257 1.383235 0.421272 0.117 Uiso 1 1 calc R U . . .
C131 C 0.2265(10) 0.7259(10) 0.8860(6) 0.0243(17) Uani 1 1 d . . . . .
C132 C 0.2898(12) 0.5746(10) 0.9228(7) 0.030(2) Uani 1 1 d . . . . .
H132 H 0.382174 0.520336 0.891568 0.036 Uiso 1 1 calc R U . . .
C133 C 0.2168(12) 0.5028(10) 1.0060(6) 0.0306(19) Uani 1 1 d . . . . .
H133 H 0.259810 0.399570 1.030802 0.037 Uiso 1 1 calc R U . . .
C134 C 0.0840(12) 0.5802(11) 1.0519(6) 0.034(2) Uani 1 1 d . . . . .
C135 C 0.0198(11) 0.7291(11) 1.0147(7) 0.032(2) Uani 1 1 d . . . . .
H135 H -0.074078 0.781481 1.045722 0.039 Uiso 1 1 calc R U . . .
C136 C 0.0892(10) 0.8039(10) 0.9331(6) 0.0277(18) Uani 1 1 d . . . . .
H136 H 0.044570 0.906997 0.909152 0.033 Uiso 1 1 calc R U . . .
C137 C 0.0083(15) 0.5025(13) 1.1421(7) 0.051(3) Uani 1 1 d . . . . .
H13C H 0.063742 0.504189 1.191751 0.076 Uiso 1 1 calc R U . . .
H13D H 0.014088 0.397205 1.139650 0.076 Uiso 1 1 calc R U . . .
H13E H -0.102125 0.555573 1.153678 0.076 Uiso 1 1 calc R U . . .
Sb2 Sb 0.63412(3) 0.12622(2) 0.22360(2) 0.02403(13) Uani 1 1 d . . . . .
O21 O 0.6732(8) -0.0571(8) 0.1638(5) 0.0310(16) Uani 1 1 d . . . . .
O22 O 0.4111(7) 0.1218(7) 0.2302(5) 0.0307(14) Uani 1 1 d . . . . .
C21 C 0.5320(7) -0.0556(7) 0.1326(4) 0.0261(12) Uani 1 1 d . . . . .
H21 H 0.518651 0.024801 0.075757 0.031 Uiso 1 1 calc R U . . .
C22 C 0.3974(9) -0.0145(8) 0.2049(5) 0.0307(17) Uani 1 1 d . . . . .
H22 H 0.408322 -0.098314 0.260251 0.037 Uiso 1 1 calc R U . . .
C23 C 0.2395(11) 0.0035(11) 0.1758(7) 0.039(2) Uani 1 1 d . . . . .
H23A H 0.223679 0.086335 0.121280 0.047 Uiso 1 1 calc R U . . .
H23B H 0.154006 0.027874 0.226044 0.047 Uiso 1 1 calc R U . . .
C24 C 0.2390(12) -0.1476(12) 0.1529(7) 0.041(2) Uani 1 1 d . . . . .
H24A H 0.243271 -0.226490 0.209820 0.050 Uiso 1 1 calc R U . . .
H24B H 0.139039 -0.137460 0.129894 0.050 Uiso 1 1 calc R U . . .
C25 C 0.3743(7) -0.1985(7) 0.0822(5) 0.0348(14) Uani 1 1 d . . . . .
H25A H 0.362081 -0.127182 0.022613 0.042 Uiso 1 1 calc R U . . .
H25B H 0.371445 -0.299822 0.074029 0.042 Uiso 1 1 calc R U . . .
C26 C 0.5349(11) -0.2066(9) 0.1095(6) 0.0264(18) Uani 1 1 d . . . . .
H26A H 0.556218 -0.289508 0.163412 0.032 Uiso 1 1 calc R U . . .
H26B H 0.619422 -0.227667 0.058142 0.032 Uiso 1 1 calc R U . . .
C211 C 0.5544(12) 0.3199(11) 0.2885(6) 0.029(2) Uani 1 1 d . . . . .
C212 C 0.3997(14) 0.3712(13) 0.3269(8) 0.047(3) Uani 1 1 d . . . . .
H212 H 0.320807 0.321260 0.324373 0.056 Uiso 1 1 calc R U . . .
C213 C 0.3609(14) 0.4969(13) 0.3692(8) 0.055(3) Uani 1 1 d . . . . .
H213 H 0.254833 0.531716 0.394608 0.066 Uiso 1 1 calc R U . . .
C214 C 0.4719(14) 0.5704(11) 0.3749(6) 0.039(2) Uani 1 1 d . . . . .
C215 C 0.6214(15) 0.5218(11) 0.3363(7) 0.040(2) Uani 1 1 d . . . . .
H215 H 0.698961 0.574217 0.337422 0.048 Uiso 1 1 calc R U . . .
C216 C 0.6638(13) 0.3953(11) 0.2948(7) 0.033(2) Uani 1 1 d . . . . .
H216 H 0.770606 0.361032 0.270497 0.040 Uiso 1 1 calc R U . . .
C217 C 0.4245(16) 0.7041(12) 0.4227(7) 0.053(3) Uani 1 1 d . . . . .
H21A H 0.314371 0.754907 0.417080 0.080 Uiso 1 1 calc R U . . .
H21B H 0.491532 0.775680 0.394097 0.080 Uiso 1 1 calc R U . . .
H21C H 0.437153 0.668221 0.487767 0.080 Uiso 1 1 calc R U . . .
C221 C 0.7653(11) -0.0184(10) 0.3276(6) 0.0284(16) Uani 1 1 d . U . . .
C22A C 0.772(3) 0.019(2) 0.4054(14) 0.047(5) Uani 0.48(3) 1 d . U P A 1
H22A H 0.724513 0.120540 0.412696 0.056 Uiso 0.48(3) 1 calc R U P A 1
C23A C 0.847(3) -0.084(3) 0.4790(15) 0.047(4) Uani 0.48(3) 1 d . U P A 1
H23C H 0.841889 -0.050410 0.534053 0.057 Uiso 0.48(3) 1 calc R U P A 1
C25A C 0.921(3) -0.270(3) 0.3876(16) 0.037(4) Uani 0.48(3) 1 d . U P A 1
H25C H 0.969922 -0.371814 0.383121 0.045 Uiso 0.48(3) 1 calc R U P A 1
C26A C 0.853(3) -0.171(3) 0.3168(18) 0.029(4) Uani 0.48(3) 1 d . U P A 1
H26C H 0.861973 -0.201738 0.260085 0.034 Uiso 0.48(3) 1 calc R U P A 1
C22B C 0.700(3) 0.011(2) 0.4213(14) 0.034(4) Uani 0.52(3) 1 d . U P A 2
H22B H 0.611039 0.090983 0.431791 0.040 Uiso 0.52(3) 1 calc R U P A 2
C23B C 0.778(3) -0.085(2) 0.4927(16) 0.036(4) Uani 0.52(3) 1 d . U P A 2
H23D H 0.742679 -0.070596 0.553881 0.043 Uiso 0.52(3) 1 calc R U P A 2
C25B C 0.957(2) -0.217(3) 0.3881(14) 0.043(4) Uani 0.52(3) 1 d . U P A 2
H25D H 1.050084 -0.288385 0.372618 0.052 Uiso 0.52(3) 1 calc R U P A 2
C26B C 0.879(3) -0.127(3) 0.3153(16) 0.034(4) Uani 0.52(3) 1 d . U P A 2
H26D H 0.912101 -0.148545 0.255516 0.041 Uiso 0.52(3) 1 calc R U P A 2
C224 C 0.9159(11) -0.2130(12) 0.4740(7) 0.0405(19) Uani 1 1 d . U . . .
C227 C 0.9983(14) -0.3140(17) 0.5518(8) 0.065(3) Uani 1 1 d . U . . .
H22C H 1.087894 -0.275668 0.557241 0.097 Uiso 1 1 calc R U . . .
H22D H 1.035924 -0.417099 0.539908 0.097 Uiso 1 1 calc R U . . .
H22E H 0.924961 -0.315369 0.609060 0.097 Uiso 1 1 calc R U . . .
C231 C 0.7477(10) 0.2424(10) 0.1014(6) 0.0249(18) Uani 1 1 d . . . . .
C232 C 0.8834(11) 0.1710(10) 0.0534(6) 0.0285(19) Uani 1 1 d . . . . .
H232 H 0.930646 0.068023 0.076113 0.034 Uiso 1 1 calc R U . . .
C233 C 0.9518(12) 0.2501(12) -0.0288(6) 0.035(2) Uani 1 1 d . . . . .
H233 H 1.048090 0.201655 -0.059819 0.042 Uiso 1 1 calc R U . . .
C234 C 0.8801(12) 0.3990(11) -0.0655(6) 0.034(2) Uani 1 1 d . . . . .
C235 C 0.7392(12) 0.4673(11) -0.0166(6) 0.034(2) Uani 1 1 d . . . . .
H235 H 0.685890 0.567195 -0.041372 0.041 Uiso 1 1 calc R U . . .
C236 C 0.6773(12) 0.3924(10) 0.0663(6) 0.0272(19) Uani 1 1 d . . . . .
H236 H 0.585745 0.443100 0.100089 0.033 Uiso 1 1 calc R U . . .
C237 C 0.9475(13) 0.4839(13) -0.1558(7) 0.046(2) Uani 1 1 d . . . . .
H23E H 1.013620 0.544776 -0.144476 0.069 Uiso 1 1 calc R U . . .
H23F H 0.861614 0.550563 -0.188284 0.069 Uiso 1 1 calc R U . . .
H23G H 1.011138 0.411396 -0.193282 0.069 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 O11 2.042(6) . ?
Sb1 O12 1.981(6) . ?
Sb1 C111 2.160(9) . ?
Sb1 C121 2.128(8) . ?
Sb1 C131 2.110(9) . ?
O11 C11 1.403(9) . ?
O12 C12 1.426(9) . ?
C11 H11 1.0000 . ?
C11 C12 1.531(8) . ?
C11 C16 1.519(10) . ?
C12 H12 1.0000 . ?
C12 C13 1.503(11) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.540(11) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.539(10) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.523(11) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C111 C112 1.403(13) . ?
C111 C116 1.382(14) . ?
C112 H112 0.9500 . ?
C112 C113 1.386(13) . ?
C113 H113 0.9500 . ?
C113 C114 1.410(14) . ?
C114 C115 1.394(14) . ?
C114 C117 1.510(13) . ?
C115 H115 0.9500 . ?
C115 C116 1.381(14) . ?
C116 H116 0.9500 . ?
C117 H11A 0.9800 . ?
C117 H11B 0.9800 . ?
C117 H11C 0.9800 . ?
C121 C22C 1.400(13) . ?
C121 C26C 1.364(14) . ?
C22C H22F 0.9500 . ?
C22C C23C 1.373(15) . ?
C23C H23H 0.9500 . ?
C23C C124 1.405(18) . ?
C25C H25E 0.9500 . ?
C25C C26C 1.372(14) . ?
C25C C124 1.374(17) . ?
C26C H26E 0.9500 . ?
C124 C127 1.524(15) . ?
C127 H12A 0.9800 . ?
C127 H12B 0.9800 . ?
C127 H12C 0.9800 . ?
C131 C132 1.394(13) . ?
C131 C136 1.406(12) . ?
C132 H132 0.9500 . ?
C132 C133 1.404(15) . ?
C133 H133 0.9500 . ?
C133 C134 1.370(14) . ?
C134 C135 1.381(14) . ?
C134 C137 1.508(14) . ?
C135 H135 0.9500 . ?
C135 C136 1.383(14) . ?
C136 H136 0.9500 . ?
C137 H13C 0.9800 . ?
C137 H13D 0.9800 . ?
C137 H13E 0.9800 . ?
Sb2 O21 2.045(6) . ?
Sb2 O22 1.979(6) . ?
Sb2 C211 2.157(9) . ?
Sb2 C221 2.126(8) . ?
Sb2 C231 2.126(9) . ?
O21 C21 1.421(8) . ?
O22 C22 1.454(10) . ?
C21 H21 1.0000 . ?
C21 C22 1.496(10) . ?
C21 C26 1.524(10) . ?
C22 H22 1.0000 . ?
C22 C23 1.508(11) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.532(14) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.507(13) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.540(10) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C211 C212 1.393(15) . ?
C211 C216 1.371(15) . ?
C212 H212 0.9500 . ?
C212 C213 1.404(15) . ?
C213 H213 0.9500 . ?
C213 C214 1.368(17) . ?
C214 C215 1.352(16) . ?
C214 C217 1.516(14) . ?
C215 H215 0.9500 . ?
C215 C216 1.402(14) . ?
C216 H216 0.9500 . ?
C217 H21A 0.9800 . ?
C217 H21B 0.9800 . ?
C217 H21C 0.9800 . ?
C221 C22A 1.324(19) . ?
C221 C26A 1.47(2) . ?
C221 C22B 1.49(2) . ?
C221 C26B 1.25(2) . ?
C22A H22A 0.9500 . ?
C22A C23A 1.43(2) . ?
C23A H23C 0.9500 . ?
C23A C224 1.21(2) . ?
C25A H25C 0.9500 . ?
C25A C26A 1.36(3) . ?
C25A C224 1.52(2) . ?
C26A H26C 0.9500 . ?
C22B H22B 0.9500 . ?
C22B C23B 1.40(3) . ?
C23B H23D 0.9500 . ?
C23B C224 1.51(3) . ?
C25B H25D 0.9500 . ?
C25B C26B 1.39(3) . ?
C25B C224 1.29(2) . ?
C26B H26D 0.9500 . ?
C224 C227 1.499(14) . ?
C227 H22C 0.9800 . ?
C227 H22D 0.9800 . ?
C227 H22E 0.9800 . ?
C231 C232 1.378(13) . ?
C231 C236 1.393(12) . ?
C232 H232 0.9500 . ?
C232 C233 1.404(14) . ?
C233 H233 0.9500 . ?
C233 C234 1.395(14) . ?
C234 C235 1.405(14) . ?
C234 C237 1.508(14) . ?
C235 H235 0.9500 . ?
C235 C236 1.373(14) . ?
C236 H236 0.9500 . ?
C237 H23E 0.9800 . ?
C237 H23F 0.9800 . ?
C237 H23G 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
O11 Sb1 C111 170.5(3) . . ?
O11 Sb1 C121 89.8(3) . . ?
O11 Sb1 C131 87.3(3) . . ?
O12 Sb1 O11 82.4(2) . . ?
O12 Sb1 C111 88.2(3) . . ?
O12 Sb1 C121 117.3(3) . . ?
O12 Sb1 C131 119.8(3) . . ?
C121 Sb1 C111 95.9(3) . . ?
C131 Sb1 C111 96.1(3) . . ?
C131 Sb1 C121 121.7(3) . . ?
C11 O11 Sb1 108.4(4) . . ?
C12 O12 Sb1 112.2(5) . . ?
O11 C11 H11 108.6 . . ?
O11 C11 C12 107.4(5) . . ?
O11 C11 C16 113.2(6) . . ?
C12 C11 H11 108.6 . . ?
C16 C11 H11 108.6 . . ?
C16 C11 C12 110.2(5) . . ?
O12 C12 C11 107.6(5) . . ?
O12 C12 H12 108.3 . . ?
O12 C12 C13 112.9(6) . . ?
C11 C12 H12 108.3 . . ?
C13 C12 C11 111.4(6) . . ?
C13 C12 H12 108.3 . . ?
C12 C13 H13A 109.9 . . ?
C12 C13 H13B 109.9 . . ?
C12 C13 C14 108.8(7) . . ?
H13A C13 H13B 108.3 . . ?
C14 C13 H13A 109.9 . . ?
C14 C13 H13B 109.9 . . ?
C13 C14 H14A 109.2 . . ?
C13 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
C15 C14 C13 112.2(6) . . ?
C15 C14 H14A 109.2 . . ?
C15 C14 H14B 109.2 . . ?
C14 C15 H15A 109.1 . . ?
C14 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
C16 C15 C14 112.5(6) . . ?
C16 C15 H15A 109.1 . . ?
C16 C15 H15B 109.1 . . ?
C11 C16 C15 111.0(6) . . ?
C11 C16 H16A 109.4 . . ?
C11 C16 H16B 109.4 . . ?
C15 C16 H16A 109.4 . . ?
C15 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C112 C111 Sb1 116.8(7) . . ?
C116 C111 Sb1 124.9(7) . . ?
C116 C111 C112 118.1(9) . . ?
C111 C112 H112 119.3 . . ?
C113 C112 C111 121.4(9) . . ?
C113 C112 H112 119.3 . . ?
C112 C113 H113 119.8 . . ?
C112 C113 C114 120.3(9) . . ?
C114 C113 H113 119.8 . . ?
C113 C114 C117 121.2(9) . . ?
C115 C114 C113 117.2(9) . . ?
C115 C114 C117 121.6(10) . . ?
C114 C115 H115 118.8 . . ?
C116 C115 C114 122.3(9) . . ?
C116 C115 H115 118.8 . . ?
C111 C116 H116 119.7 . . ?
C115 C116 C111 120.6(9) . . ?
C115 C116 H116 119.7 . . ?
C114 C117 H11A 109.5 . . ?
C114 C117 H11B 109.5 . . ?
C114 C117 H11C 109.5 . . ?
H11A C117 H11B 109.5 . . ?
H11A C117 H11C 109.5 . . ?
H11B C117 H11C 109.5 . . ?
C22C C121 Sb1 120.5(7) . . ?
C26C C121 Sb1 120.6(7) . . ?
C26C C121 C22C 118.8(8) . . ?
C121 C22C H22F 120.2 . . ?
C23C C22C C121 119.5(10) . . ?
C23C C22C H22F 120.2 . . ?
C22C C23C H23H 119.4 . . ?
C22C C23C C124 121.1(11) . . ?
C124 C23C H23H 119.4 . . ?
C26C C25C H25E 119.7 . . ?
C26C C25C C124 120.7(11) . . ?
C124 C25C H25E 119.7 . . ?
C121 C26C C25C 121.7(10) . . ?
C121 C26C H26E 119.2 . . ?
C25C C26C H26E 119.2 . . ?
C23C C124 C127 120.7(11) . . ?
C25C C124 C23C 118.0(9) . . ?
C25C C124 C127 121.2(11) . . ?
C124 C127 H12A 109.5 . . ?
C124 C127 H12B 109.5 . . ?
C124 C127 H12C 109.5 . . ?
H12A C127 H12B 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
C132 C131 Sb1 118.9(7) . . ?
C132 C131 C136 119.1(9) . . ?
C136 C131 Sb1 121.6(6) . . ?
C131 C132 H132 120.1 . . ?
C131 C132 C133 119.8(9) . . ?
C133 C132 H132 120.1 . . ?
C132 C133 H133 119.7 . . ?
C134 C133 C132 120.6(9) . . ?
C134 C133 H133 119.7 . . ?
C133 C134 C135 119.5(9) . . ?
C133 C134 C137 120.1(9) . . ?
C135 C134 C137 120.4(10) . . ?
C134 C135 H135 119.3 . . ?
C134 C135 C136 121.4(9) . . ?
C136 C135 H135 119.3 . . ?
C131 C136 H136 120.3 . . ?
C135 C136 C131 119.4(8) . . ?
C135 C136 H136 120.3 . . ?
C134 C137 H13C 109.5 . . ?
C134 C137 H13D 109.5 . . ?
C134 C137 H13E 109.5 . . ?
H13C C137 H13D 109.5 . . ?
H13C C137 H13E 109.5 . . ?
H13D C137 H13E 109.5 . . ?
O21 Sb2 C211 171.0(4) . . ?
O21 Sb2 C221 87.6(3) . . ?
O21 Sb2 C231 89.4(3) . . ?
O22 Sb2 O21 82.9(3) . . ?
O22 Sb2 C211 88.1(3) . . ?
O22 Sb2 C221 119.0(3) . . ?
O22 Sb2 C231 119.1(3) . . ?
C221 Sb2 C211 96.8(3) . . ?
C221 Sb2 C231 120.9(3) . . ?
C231 Sb2 C211 95.0(4) . . ?
C21 O21 Sb2 108.4(4) . . ?
C22 O22 Sb2 111.2(5) . . ?
O21 C21 H21 108.3 . . ?
O21 C21 C22 108.2(5) . . ?
O21 C21 C26 112.3(6) . . ?
C22 C21 H21 108.3 . . ?
C22 C21 C26 111.3(6) . . ?
C26 C21 H21 108.3 . . ?
O22 C22 C21 108.3(6) . . ?
O22 C22 H22 107.8 . . ?
O22 C22 C23 112.1(6) . . ?
C21 C22 H22 107.8 . . ?
C21 C22 C23 112.9(6) . . ?
C23 C22 H22 107.8 . . ?
C22 C23 H23A 110.3 . . ?
C22 C23 H23B 110.3 . . ?
C22 C23 C24 107.0(7) . . ?
H23A C23 H23B 108.6 . . ?
C24 C23 H23A 110.3 . . ?
C24 C23 H23B 110.3 . . ?
C23 C24 H24A 108.9 . . ?
C23 C24 H24B 108.9 . . ?
H24A C24 H24B 107.7 . . ?
C25 C24 C23 113.3(8) . . ?
C25 C24 H24A 108.9 . . ?
C25 C24 H24B 108.9 . . ?
C24 C25 H25A 109.1 . . ?
C24 C25 H25B 109.1 . . ?
C24 C25 C26 112.4(6) . . ?
H25A C25 H25B 107.9 . . ?
C26 C25 H25A 109.1 . . ?
C26 C25 H25B 109.1 . . ?
C21 C26 C25 108.9(6) . . ?
C21 C26 H26A 109.9 . . ?
C21 C26 H26B 109.9 . . ?
C25 C26 H26A 109.9 . . ?
C25 C26 H26B 109.9 . . ?
H26A C26 H26B 108.3 . . ?
C212 C211 Sb2 124.3(8) . . ?
C216 C211 Sb2 118.0(8) . . ?
C216 C211 C212 117.7(10) . . ?
C211 C212 H212 120.1 . . ?
C211 C212 C213 119.8(11) . . ?
C213 C212 H212 120.1 . . ?
C212 C213 H213 119.2 . . ?
C214 C213 C212 121.7(11) . . ?
C214 C213 H213 119.2 . . ?
C213 C214 C217 119.7(11) . . ?
C215 C214 C213 118.4(9) . . ?
C215 C214 C217 121.9(10) . . ?
C214 C215 H215 119.5 . . ?
C214 C215 C216 121.1(10) . . ?
C216 C215 H215 119.5 . . ?
C211 C216 C215 121.4(10) . . ?
C211 C216 H216 119.3 . . ?
C215 C216 H216 119.3 . . ?
C214 C217 H21A 109.5 . . ?
C214 C217 H21B 109.5 . . ?
C214 C217 H21C 109.5 . . ?
H21A C217 H21B 109.5 . . ?
H21A C217 H21C 109.5 . . ?
H21B C217 H21C 109.5 . . ?
C22A C221 Sb2 123.8(10) . . ?
C22A C221 C26A 115.8(14) . . ?
C26A C221 Sb2 120.3(10) . . ?
C22B C221 Sb2 113.5(10) . . ?
C26B C221 Sb2 125.0(12) . . ?
C26B C221 C22B 121.3(14) . . ?
C221 C22A H22A 118.3 . . ?
C221 C22A C23A 123.3(16) . . ?
C23A C22A H22A 118.3 . . ?
C22A C23A H23C 118.6 . . ?
C224 C23A C22A 122.8(17) . . ?
C224 C23A H23C 118.6 . . ?
C26A C25A H25C 120.8 . . ?
C26A C25A C224 118.3(17) . . ?
C224 C25A H25C 120.8 . . ?
C221 C26A H26C 119.9 . . ?
C25A C26A C221 120.2(18) . . ?
C25A C26A H26C 119.9 . . ?
C221 C22B H22B 122.1 . . ?
C23B C22B C221 115.7(17) . . ?
C23B C22B H22B 122.1 . . ?
C22B C23B H23D 119.6 . . ?
C22B C23B C224 120.8(18) . . ?
C224 C23B H23D 119.6 . . ?
C26B C25B H25D 116.4 . . ?
C224 C25B H25D 116.4 . . ?
C224 C25B C26B 127.2(19) . . ?
C221 C26B C25B 121(2) . . ?
C221 C26B H26D 119.6 . . ?
C25B C26B H26D 119.6 . . ?
C23A C224 C25A 119.2(14) . . ?
C23A C224 C227 120.3(13) . . ?
C25B C224 C23B 113.6(14) . . ?
C25B C224 C227 126.5(13) . . ?
C227 C224 C25A 120.5(12) . . ?
C227 C224 C23B 119.7(12) . . ?
C224 C227 H22C 109.5 . . ?
C224 C227 H22D 109.5 . . ?
C224 C227 H22E 109.5 . . ?
H22C C227 H22D 109.5 . . ?
H22C C227 H22E 109.5 . . ?
H22D C227 H22E 109.5 . . ?
C232 C231 Sb2 121.8(6) . . ?
C232 C231 C236 119.5(8) . . ?
C236 C231 Sb2 118.6(7) . . ?
C231 C232 H232 119.9 . . ?
C231 C232 C233 120.1(8) . . ?
C233 C232 H232 119.9 . . ?
C232 C233 H233 119.6 . . ?
C234 C233 C232 120.7(9) . . ?
C234 C233 H233 119.6 . . ?
C233 C234 C235 117.8(9) . . ?
C233 C234 C237 121.7(10) . . ?
C235 C234 C237 120.5(9) . . ?
C234 C235 H235 119.4 . . ?
C236 C235 C234 121.2(9) . . ?
C236 C235 H235 119.4 . . ?
C231 C236 H236 119.8 . . ?
C235 C236 C231 120.5(9) . . ?
C235 C236 H236 119.8 . . ?
C234 C237 H23E 109.5 . . ?
C234 C237 H23F 109.5 . . ?
C234 C237 H23G 109.5 . . ?
H23E C237 H23F 109.5 . . ?
H23E C237 H23G 109.5 . . ?
H23F C237 H23G 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 O11 C11 C12 -44.0(6) . . . . ?
Sb1 O11 C11 C16 -165.9(5) . . . . ?
Sb1 O12 C12 C11 -32.8(7) . . . . ?
Sb1 O12 C12 C13 -156.2(5) . . . . ?
Sb1 C111 C112 C113 177.4(7) . . . . ?
Sb1 C111 C116 C115 -176.5(7) . . . . ?
Sb1 C121 C22C C23C 180.0(10) . . . . ?
Sb1 C121 C26C C25C -179.0(9) . . . . ?
Sb1 C131 C132 C133 173.4(6) . . . . ?
Sb1 C131 C136 C135 -173.7(6) . . . . ?
O11 C11 C12 O12 51.0(7) . . . . ?
O11 C11 C12 C13 175.3(6) . . . . ?
O11 C11 C16 C15 175.9(6) . . . . ?
O12 C12 C13 C14 -179.2(6) . . . . ?
C11 C12 C13 C14 59.5(8) . . . . ?
C12 C11 C16 C15 55.6(8) . . . . ?
C12 C13 C14 C15 -54.8(9) . . . . ?
C13 C14 C15 C16 51.9(9) . . . . ?
C14 C15 C16 C11 -51.9(8) . . . . ?
C16 C11 C12 O12 174.7(6) . . . . ?
C16 C11 C12 C13 -61.0(8) . . . . ?
C111 C112 C113 C114 0.5(13) . . . . ?
C112 C111 C116 C115 -0.4(14) . . . . ?
C112 C113 C114 C115 -2.4(12) . . . . ?
C112 C113 C114 C117 -180.0(8) . . . . ?
C113 C114 C115 C116 3.1(13) . . . . ?
C114 C115 C116 C111 -1.7(14) . . . . ?
C116 C111 C112 C113 1.0(13) . . . . ?
C117 C114 C115 C116 -179.4(8) . . . . ?
C121 C22C C23C C124 -1(2) . . . . ?
C22C C121 C26C C25C -1.5(17) . . . . ?
C22C C23C C124 C25C -2(2) . . . . ?
C22C C23C C124 C127 179.3(13) . . . . ?
C26C C121 C22C C23C 2.5(18) . . . . ?
C26C C25C C124 C23C 3.4(19) . . . . ?
C26C C25C C124 C127 -178.3(12) . . . . ?
C124 C25C C26C C121 -1.5(18) . . . . ?
C131 C132 C133 C134 -0.3(13) . . . . ?
C132 C131 C136 C135 -0.1(12) . . . . ?
C132 C133 C134 C135 1.4(13) . . . . ?
C132 C133 C134 C137 -178.9(8) . . . . ?
C133 C134 C135 C136 -1.9(13) . . . . ?
C134 C135 C136 C131 1.2(13) . . . . ?
C136 C131 C132 C133 -0.3(12) . . . . ?
C137 C134 C135 C136 178.4(8) . . . . ?
Sb2 O21 C21 C22 -42.1(7) . . . . ?
Sb2 O21 C21 C26 -165.3(5) . . . . ?
Sb2 O22 C22 C21 -33.9(7) . . . . ?
Sb2 O22 C22 C23 -159.1(6) . . . . ?
Sb2 C211 C212 C213 178.7(8) . . . . ?
Sb2 C211 C216 C215 -179.7(7) . . . . ?
Sb2 C221 C22A C23A 173.1(15) . . . . ?
Sb2 C221 C26A C25A -172.0(16) . . . . ?
Sb2 C221 C22B C23B 177.1(14) . . . . ?
Sb2 C221 C26B C25B -179.3(13) . . . . ?
Sb2 C231 C232 C233 177.7(6) . . . . ?
Sb2 C231 C236 C235 -174.2(7) . . . . ?
O21 C21 C22 O22 50.4(7) . . . . ?
O21 C21 C22 C23 175.1(7) . . . . ?
O21 C21 C26 C25 176.5(6) . . . . ?
O22 C22 C23 C24 -178.9(7) . . . . ?
C21 C22 C23 C24 58.4(9) . . . . ?
C22 C21 C26 C25 55.1(8) . . . . ?
C22 C23 C24 C25 -55.3(10) . . . . ?
C23 C24 C25 C26 54.7(9) . . . . ?
C24 C25 C26 C21 -52.4(9) . . . . ?
C26 C21 C22 O22 174.2(6) . . . . ?
C26 C21 C22 C23 -61.0(8) . . . . ?
C211 C212 C213 C214 -0.7(17) . . . . ?
C212 C211 C216 C215 -1.5(14) . . . . ?
C212 C213 C214 C215 1.7(17) . . . . ?
C212 C213 C214 C217 -179.0(10) . . . . ?
C213 C214 C215 C216 -2.6(15) . . . . ?
C214 C215 C216 C211 2.6(15) . . . . ?
C216 C211 C212 C213 0.6(15) . . . . ?
C217 C214 C215 C216 178.1(9) . . . . ?
C221 C22A C23A C224 3(3) . . . . ?
C221 C22B C23B C224 -1(3) . . . . ?
C22A C221 C26A C25A 7(3) . . . . ?
C22A C23A C224 C25A -2(3) . . . . ?
C22A C23A C224 C227 177.2(17) . . . . ?
C26A C221 C22A C23A -5(3) . . . . ?
C26A C25A C224 C23A 3(3) . . . . ?
C26A C25A C224 C227 -175.9(17) . . . . ?
C22B C221 C26B C25B -5(3) . . . . ?
C22B C23B C224 C25B 3(3) . . . . ?
C22B C23B C224 C227 179.3(16) . . . . ?
C26B C221 C22B C23B 3(2) . . . . ?
C26B C25B C224 C23B -7(3) . . . . ?
C26B C25B C224 C227 177.8(17) . . . . ?
C224 C25A C26A C221 -5(3) . . . . ?
C224 C25B C26B C221 8(3) . . . . ?
C231 C232 C233 C234 -3.1(13) . . . . ?
C232 C231 C236 C235 2.0(12) . . . . ?
C232 C233 C234 C235 1.1(13) . . . . ?
C232 C233 C234 C237 -177.2(8) . . . . ?
C233 C234 C235 C236 2.5(13) . . . . ?
C234 C235 C236 C231 -4.1(13) . . . . ?
C236 C231 C232 C233 1.5(12) . . . . ?
C237 C234 C235 C236 -179.1(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 1.583
_oxdiff_exptl_absorpt_empirical_full_min 0.693
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 1.021(10)
2 -0.021(10)
