#------------------------------------------------------------------------------
#$Date: 2022-03-22 01:58:09 +0200 (Tue, 22 Mar 2022) $
#$Revision: 273882 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/97/7709785.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7709785
loop_
_publ_author_name
'Holzer, Noah'
'Sharma, Jatan K.'
'Peterson, Steven'
'Bayard, Brandon J.'
'Nesterov, Vladimir'
'Karr, Paul A.'
'D'Souza, Francis'
'Poddutoori, Prashanth K.'
_publ_section_title
;
 Antimony(+5) Ion Induced Tunable Intramolecular Charge Transfer in
 Hypervalent Antimony(V) Porphyrins
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00675H
_journal_year                    2022
_chemical_formula_moiety         '2(C23 H17 N2 O Sb0.5), 3(C H Cl3), F6 P'
_chemical_formula_sum            'C49 H37 Cl9 F6 N4 O2 P Sb'
_chemical_formula_weight         1299.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-10-26
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2020.03.28 svn.rd84adfe8 for Rigaku Oxford Diffraction, GUI svn.r6032)
;
_audit_update_record
;
2021-12-26 deposited with the CCDC.	2022-03-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.590(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.4250(2)
_cell_length_b                   26.1150(5)
_cell_length_c                   17.3913(4)
_cell_measurement_reflns_used    15382
_cell_measurement_temperature    229.99(12)
_cell_measurement_theta_max      79.1450
_cell_measurement_theta_min      3.3800
_cell_volume                     5348.67(19)
_computing_cell_refinement       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3-ac4 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-ac4 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      229.99(12)
_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 0.979
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -68.00  27.00   0.50    4.00    --  -46.88  70.00  96.00  190
  2  ω    -97.00 -72.00   0.50    4.00    --  -46.88 -70.00 -35.00   50
  3  ω     50.00 106.00   0.50    4.00    --   46.88  70.00  96.00  112
  4  ω    -24.00  59.00   0.50    4.00    --   46.88 -70.00 -35.00  166
  5  ω    -82.00 -57.00   0.50   25.00    --  -91.75  70.00  96.00   50
  6  ω   -143.00-117.00   0.50   25.00    --  -91.75 -70.00 -35.00   52
  7  ω     93.00 173.00   0.50   25.00    --  113.25  70.00  96.00  160
  8  ω     41.00  71.00   0.50   25.00    --  113.25 -70.00 -35.00   60
  9  ω   -120.00 -78.00   0.50    4.00    --  -46.88-125.00 120.00   84
 10  ω   -118.00 -79.00   0.50    4.00    --  -46.88-125.00  90.00   78
 11  ω    -44.00 -16.00   0.50   25.00    --  -91.75  30.00 -90.00   56
 12  ω    -59.00 -24.00   0.50   25.00    --  -91.75  45.00 -60.00   70
 13  ω    140.00 177.00   0.50   25.00    --  113.25  77.00  30.00   74
 14  ω     43.00  95.00   0.50   25.00    --  113.25 -77.00   0.00  104
 15  ω    132.00 172.00   0.50   25.00    --  113.25  15.00  30.00   80
 16  ω    143.00 172.00   0.50   25.00    --  113.25  61.00  60.00   58
 17  ω     90.00 128.00   0.50   25.00    --  113.25  77.00  30.00   76
 18  ω     51.00  79.00   0.50   25.00    --  113.25 -94.00-180.00   56
 19  ω    133.00 160.00   0.50   25.00    --  113.25  45.00-180.00   54
 20  ω     42.00 107.00   0.50   25.00    --  113.25 -94.00-120.00  130
 21  ω     44.00  87.00   0.50   25.00    --  113.25-125.00 120.00   86
 22  ω     43.00  73.00   0.50   25.00    --  113.25-125.00 -30.00   60
 23  ω     41.00  70.00   0.50   25.00    --  113.25 -77.00 120.00   58
 24  ω    111.00 139.00   0.50   25.00    --  113.25  61.00  60.00   56
 25  ω    100.00 168.00   0.50   25.00    --  113.25  45.00  30.00  136
 26  ω     70.00  96.00   0.50   25.00    --  113.25 -77.00 -30.00   52
 27  ω    100.00 171.00   0.50   25.00    --  113.25  45.00-150.00  142
 28  ω    112.00 160.00   0.50   25.00    --  113.25  61.00 -60.00   96
 29  ω     59.00  84.00   0.50   25.00    --  113.25 -77.00  30.00   50
 30  ω    102.00 131.00   0.50   25.00    --  113.25  45.00-180.00   58
 31  ω     78.00 107.00   0.50   25.00    --  113.25-125.00 -30.00   58
 32  ω     42.00  96.00   0.50   25.00    --  113.25 -77.00 -90.00  108
 33  ω     47.00  73.00   0.50   25.00    --  113.25 -77.00-150.00   52
;
_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      0.0892903000
_diffrn_orient_matrix_UB_12      -0.0400447000
_diffrn_orient_matrix_UB_13      -0.0036276000
_diffrn_orient_matrix_UB_21      -0.0845202000
_diffrn_orient_matrix_UB_22      -0.0228615000
_diffrn_orient_matrix_UB_23      -0.0774653000
_diffrn_orient_matrix_UB_31      0.0446303000
_diffrn_orient_matrix_UB_32      0.0368048000
_diffrn_orient_matrix_UB_33      -0.0521592000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            48200
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         80.533
_diffrn_reflns_theta_min         3.170
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    9.068
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74652
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.118a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'metallic dark purple'
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_description       plate
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.725
_refine_diff_density_min         -1.196
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       0.00020(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     692
_refine_ls_number_reflns         11477
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0746
_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)+(0.0725P)²+21.8803P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1771
_refine_ls_wR_factor_ref         0.1890
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8498
_reflns_number_total             11477
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00675h2.cif
_cod_data_source_block           str0758lt230kcu34mm_auto
_cod_database_code               7709785
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C46 H34 N4 O2 F6 P Sb'
_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.
;
_shelx_estimated_absorpt_t_max   0.839
_shelx_estimated_absorpt_t_min   0.713
_reflns_odcompleteness_completeness 99.62
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_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. Restrained distances
 C26-Cl7 = C26-Cl8 = C26-Cl9
 1.8 with sigma of 0.01
 Cl7-Cl9
 2.7 with sigma of 0.01
 C27-Cl7A = C27-Cl8A = C27-Cl9A
 1.8 with sigma of 0.01
 Cl7A-Cl9A
 2.7 with sigma of 0.01
3. Others
 Sof(Cl7A)=Sof(Cl8A)=Sof(C27)=Sof(H27)=Sof(Cl9A)=1-FVAR(1)
 Sof(Cl8)=Sof(Cl7)=Sof(C26)=Sof(H26)=Sof(Cl9)=FVAR(1)
4.a Ternary CH refined with riding coordinates:
 C24(H24), C25(H25), C26(H26), C27(H27)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C14(H14), C15(H15),
 C16(H16), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C2A(H2A), C3A(H3A),
  C7A(H7A), C8A(H8A), C12A(H12A), C13A(H13A), C14A(H14A), C15A(H15A),
 C16A(H16A), C18A(H18A), C19A(H19A), C20A(H20A), C21A(H21A), C22A(H22A)
4.c Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C23A(H23D,H23E,H23F)
;
_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
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 3.219
_oxdiff_exptl_absorpt_empirical_full_min 0.416
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.500000 0.500000 0.500000 0.03030(14) Uani 1 2 d S . P . .
O1 O 0.4512(3) 0.55837(15) 0.5523(2) 0.0412(9) Uani 1 1 d . . . . .
N1 N 0.5852(3) 0.55041(16) 0.4471(3) 0.0334(9) Uani 1 1 d . . . . .
N2 N 0.3577(3) 0.50363(16) 0.3972(3) 0.0330(9) Uani 1 1 d . . . . .
C1 C 0.6945(4) 0.5676(2) 0.4815(3) 0.0392(12) Uani 1 1 d . . . . .
C2 C 0.7202(5) 0.6004(2) 0.4241(3) 0.0456(14) Uani 1 1 d . . . . .
H2 H 0.789489 0.617414 0.431867 0.055 Uiso 1 1 calc R U . . .
C3 C 0.6285(5) 0.6028(2) 0.3567(3) 0.0459(14) Uani 1 1 d . . . . .
H3 H 0.622605 0.621411 0.309215 0.055 Uiso 1 1 calc R U . . .
C4 C 0.5417(4) 0.5718(2) 0.3713(3) 0.0369(11) Uani 1 1 d . . . . .
C5 C 0.4324(4) 0.5639(2) 0.3161(3) 0.0369(11) Uani 1 1 d . . . . .
C6 C 0.3500(4) 0.5320(2) 0.3289(3) 0.0334(11) Uani 1 1 d . . . . .
C7 C 0.2376(4) 0.5237(2) 0.2722(3) 0.0394(12) Uani 1 1 d . . . . .
H7 H 0.208047 0.538443 0.220401 0.047 Uiso 1 1 calc R U . . .
C8 C 0.1830(5) 0.4910(2) 0.3067(3) 0.0400(12) Uani 1 1 d . . . . .
H8 H 0.108644 0.478658 0.282915 0.048 Uiso 1 1 calc R U . . .
C9 C 0.2572(4) 0.4781(2) 0.3859(3) 0.0340(11) Uani 1 1 d . . . . .
C10 C 0.7688(4) 0.5552(2) 0.5587(3) 0.0397(12) Uani 1 1 d . . . . .
C11 C 0.8838(5) 0.5792(3) 0.5843(3) 0.0480(15) Uani 1 1 d . . . . .
C12 C 0.8962(7) 0.6309(3) 0.5969(4) 0.069(2) Uani 1 1 d . . . . .
H12 H 0.831430 0.651412 0.589165 0.083 Uiso 1 1 calc R U . . .
C13 C 1.0028(9) 0.6536(4) 0.6210(5) 0.096(4) Uani 1 1 d . . . . .
H13 H 1.009531 0.689090 0.630213 0.115 Uiso 1 1 calc R U . . .
C14 C 1.0971(8) 0.6249(6) 0.6313(5) 0.107(4) Uani 1 1 d . . . . .
H14 H 1.169126 0.640388 0.647102 0.128 Uiso 1 1 calc R U . . .
C15 C 1.0866(6) 0.5730(5) 0.6183(5) 0.095(4) Uani 1 1 d . . . . .
H15 H 1.151810 0.552845 0.625682 0.113 Uiso 1 1 calc R U . . .
C16 C 0.9797(5) 0.5500(4) 0.5944(4) 0.067(2) Uani 1 1 d . . . . .
H16 H 0.973099 0.514468 0.585149 0.081 Uiso 1 1 calc R U . . .
C17 C 0.4041(5) 0.5929(2) 0.2377(3) 0.0437(13) Uani 1 1 d . . . . .
C18 C 0.3940(6) 0.5678(3) 0.1650(4) 0.0564(17) Uani 1 1 d . . . . .
H18 H 0.402149 0.532046 0.164097 0.068 Uiso 1 1 calc R U . . .
C19 C 0.3718(7) 0.5960(4) 0.0942(4) 0.075(2) Uani 1 1 d . . . . .
H19 H 0.366209 0.579019 0.045364 0.090 Uiso 1 1 calc R U . . .
C20 C 0.3579(7) 0.6472(4) 0.0938(5) 0.087(3) Uani 1 1 d . . . . .
H20 H 0.342785 0.665675 0.045111 0.104 Uiso 1 1 calc R U . . .
C21 C 0.3661(8) 0.6725(3) 0.1657(5) 0.082(3) Uani 1 1 d . . . . .
H21 H 0.355936 0.708182 0.165700 0.098 Uiso 1 1 calc R U . . .
C22 C 0.3893(7) 0.6451(3) 0.2371(5) 0.0648(19) Uani 1 1 d . . . . .
H22 H 0.395091 0.662362 0.285765 0.078 Uiso 1 1 calc R U . . .
C23 C 0.3402(6) 0.5743(3) 0.5328(5) 0.070(2) Uani 1 1 d . . . . .
H23A H 0.336156 0.604196 0.564912 0.104 Uiso 1 1 calc R U . . .
H23B H 0.294480 0.547015 0.544161 0.104 Uiso 1 1 calc R U . . .
H23C H 0.311579 0.582976 0.475629 0.104 Uiso 1 1 calc R U . . .
Sb2 Sb 0.000000 0.500000 0.000000 0.03587(15) Uani 1 2 d S . P . .
O1A O -0.0777(3) 0.45118(15) -0.0843(2) 0.0472(10) Uani 1 1 d . . . . .
N1A N 0.0045(4) 0.44905(17) 0.0921(3) 0.0357(9) Uani 1 1 d . . . . .
N2A N 0.1584(3) 0.47383(18) 0.0010(3) 0.0378(10) Uani 1 1 d . . . . .
C1A C -0.0818(4) 0.4414(2) 0.1251(3) 0.0383(12) Uani 1 1 d . . . . .
C2A C -0.0490(5) 0.4009(2) 0.1822(3) 0.0437(13) Uani 1 1 d . . . . .
H2A H -0.091726 0.387802 0.213652 0.052 Uiso 1 1 calc R U . . .
C3A C 0.0544(5) 0.3847(2) 0.1834(4) 0.0470(14) Uani 1 1 d . . . . .
H3A H 0.095664 0.357886 0.215667 0.056 Uiso 1 1 calc R U . . .
C4A C 0.0911(5) 0.4146(2) 0.1279(3) 0.0388(12) Uani 1 1 d . . . . .
C5A C 0.1942(4) 0.4107(2) 0.1127(3) 0.0390(12) Uani 1 1 d . . . . .
C6A C 0.2257(4) 0.4386(2) 0.0550(3) 0.0398(12) Uani 1 1 d . . . . .
C7A C 0.3326(5) 0.4367(3) 0.0405(4) 0.0521(15) Uani 1 1 d . . . . .
H7A H 0.394879 0.416297 0.068855 0.062 Uiso 1 1 calc R U . . .
C8A C 0.3293(5) 0.4690(3) -0.0205(4) 0.0506(15) Uani 1 1 d . . . . .
H8A H 0.388192 0.474909 -0.042480 0.061 Uiso 1 1 calc R U . . .
C9A C 0.2197(5) 0.4927(2) -0.0458(4) 0.0423(13) Uani 1 1 d . . . . .
C10A C 0.1857(4) 0.5314(2) -0.1052(3) 0.0411(12) Uani 1 1 d . . . . .
C11A C 0.2639(5) 0.5441(3) -0.1512(4) 0.0469(14) Uani 1 1 d . . . . .
C12A C 0.3128(5) 0.5917(3) -0.1469(4) 0.0526(15) Uani 1 1 d . . . . .
H12A H 0.297938 0.616881 -0.113039 0.063 Uiso 1 1 calc R U . . .
C13A C 0.3847(6) 0.6028(4) -0.1924(5) 0.071(2) Uani 1 1 d . . . . .
H13A H 0.417587 0.635486 -0.189110 0.085 Uiso 1 1 calc R U . . .
C14A C 0.4072(6) 0.5663(4) -0.2417(5) 0.080(3) Uani 1 1 d . . . . .
H14A H 0.455506 0.573774 -0.272216 0.096 Uiso 1 1 calc R U . . .
C15A C 0.3586(7) 0.5189(4) -0.2461(5) 0.076(2) Uani 1 1 d . . . . .
H15A H 0.373787 0.493667 -0.279881 0.092 Uiso 1 1 calc R U . . .
C16A C 0.2885(6) 0.5079(3) -0.2020(5) 0.0635(19) Uani 1 1 d . . . . .
H16A H 0.255932 0.475153 -0.206014 0.076 Uiso 1 1 calc R U . . .
C17A C 0.2778(5) 0.3721(2) 0.1609(4) 0.0457(14) Uani 1 1 d . . . . .
C18A C 0.3222(6) 0.3766(3) 0.2448(4) 0.0627(18) Uani 1 1 d . . . . .
H18A H 0.300779 0.404278 0.271343 0.075 Uiso 1 1 calc R U . . .
C19A C 0.3978(7) 0.3404(4) 0.2889(5) 0.078(2) Uani 1 1 d . . . . .
H19A H 0.427769 0.343691 0.345532 0.094 Uiso 1 1 calc R U . . .
C20A C 0.4295(7) 0.3001(3) 0.2519(6) 0.082(3) Uani 1 1 d . . . . .
H20A H 0.479864 0.275299 0.282779 0.098 Uiso 1 1 calc R U . . .
C21A C 0.3875(6) 0.2957(3) 0.1691(6) 0.072(2) Uani 1 1 d . . . . .
H21A H 0.410570 0.268348 0.142878 0.087 Uiso 1 1 calc R U . . .
C22A C 0.3112(6) 0.3316(3) 0.1239(5) 0.0566(16) Uani 1 1 d . . . . .
H22A H 0.281968 0.328115 0.067259 0.068 Uiso 1 1 calc R U . . .
C23A C -0.0620(7) 0.3987(3) -0.0766(5) 0.071(2) Uani 1 1 d . . . . .
H23D H -0.084579 0.386551 -0.031318 0.107 Uiso 1 1 calc R U . . .
H23E H 0.017388 0.390689 -0.067165 0.107 Uiso 1 1 calc R U . . .
H23F H -0.107965 0.382054 -0.126083 0.107 Uiso 1 1 calc R U . . .
Cl1 Cl 0.4993(2) 0.67043(9) 0.48388(15) 0.0956(8) Uani 1 1 d . . . . .
Cl2 Cl 0.5980(4) 0.76416(16) 0.5526(3) 0.1721(19) Uani 1 1 d . . . . .
Cl3 Cl 0.4145(4) 0.76155(17) 0.4014(3) 0.175(2) Uani 1 1 d . . . . .
C24 C 0.5348(10) 0.7307(4) 0.4616(7) 0.096(3) Uani 1 1 d . . . . .
H24 H 0.590070 0.728021 0.431465 0.115 Uiso 1 1 calc R U . . .
Cl4 Cl 1.1361(3) 0.65235(11) 0.3046(2) 0.1163(10) Uani 1 1 d . . . . .
Cl5 Cl 0.9551(3) 0.58091(13) 0.2654(3) 0.172(2) Uani 1 1 d . . . . .
Cl6 Cl 1.0419(3) 0.6198(3) 0.4259(2) 0.201(3) Uani 1 1 d . . . . .
C25 C 1.0140(8) 0.6347(4) 0.3250(6) 0.089(3) Uani 1 1 d . . . . .
H25 H 0.958876 0.663343 0.310576 0.107 Uiso 1 1 calc R U . . .
P1 P 0.7683(3) 0.75298(11) 0.3538(2) 0.0995(9) Uani 1 1 d . . . . .
F1 F 0.7808(9) 0.7200(4) 0.4316(6) 0.176(4) Uani 1 1 d . . . . .
F2 F 0.8725(9) 0.7848(4) 0.3999(6) 0.196(4) Uani 1 1 d . . . . .
F3 F 0.7410(9) 0.7849(3) 0.2746(4) 0.170(4) Uani 1 1 d . . . . .
F4 F 0.6571(9) 0.7246(4) 0.3149(6) 0.202(5) Uani 1 1 d . . . . .
F5 F 0.8320(12) 0.7150(5) 0.3222(7) 0.265(7) Uani 1 1 d . . . . .
F6 F 0.7066(10) 0.7950(3) 0.3896(7) 0.186(4) Uani 1 1 d . . . . .
Cl8 Cl 0.5842(5) 0.7186(3) 0.0437(4) 0.0925(18) Uani 0.540(8) 1 d D . P A 1
Cl7 Cl 0.8126(13) 0.6739(4) 0.1204(8) 0.238(10) Uani 0.540(8) 1 d D . P A 1
C26 C 0.7199(8) 0.7258(5) 0.1174(7) 0.123(10) Uani 0.540(8) 1 d D . P A 1
H26 H 0.717614 0.736672 0.171414 0.147 Uiso 0.540(8) 1 calc R U P A 1
Cl9 Cl 0.7789(8) 0.7722(3) 0.0673(6) 0.169(4) Uani 0.540(8) 1 d D . P A 1
Cl7A Cl 0.6746(7) 0.6374(3) 0.1486(5) 0.133(3) Uani 0.460(8) 1 d D . P A 2
Cl8A Cl 0.8338(8) 0.7054(6) 0.1113(7) 0.156(6) Uani 0.460(8) 1 d D . P A 2
C27 C 0.7127(12) 0.7034(5) 0.1451(12) 0.23(3) Uani 0.460(8) 1 d D . P A 2
H27 H 0.719289 0.723445 0.194730 0.274 Uiso 0.460(8) 1 calc R U P A 2
Cl9A Cl 0.5994(19) 0.7216(6) 0.0577(11) 0.324(15) Uani 0.460(8) 1 d D . P A 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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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'
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 O1 180.00(14) . 3_666 ?
O1 Sb1 N1 90.62(17) 3_666 . ?
O1 Sb1 N1 90.62(17) . 3_666 ?
O1 Sb1 N1 89.38(17) 3_666 3_666 ?
O1 Sb1 N1 89.38(17) . . ?
O1 Sb1 N2 93.38(16) . . ?
O1 Sb1 N2 86.61(16) 3_666 . ?
O1 Sb1 N2 86.61(16) . 3_666 ?
O1 Sb1 N2 93.39(16) 3_666 3_666 ?
N1 Sb1 N1 180.00(19) 3_666 . ?
N2 Sb1 N1 89.75(16) . 3_666 ?
N2 Sb1 N1 90.24(16) 3_666 3_666 ?
N2 Sb1 N1 90.25(16) . . ?
N2 Sb1 N1 89.76(16) 3_666 . ?
N2 Sb1 N2 180.0 . 3_666 ?
C23 O1 Sb1 123.6(4) . . ?
C1 N1 Sb1 125.9(3) . . ?
C1 N1 C4 108.5(4) . . ?
C4 N1 Sb1 125.6(3) . . ?
C6 N2 Sb1 125.0(3) . . ?
C9 N2 Sb1 125.9(3) . . ?
C9 N2 C6 109.1(4) . . ?
N1 C1 C2 107.6(4) . . ?
N1 C1 C10 126.8(5) . . ?
C10 C1 C2 125.6(5) . . ?
C1 C2 H2 125.6 . . ?
C3 C2 C1 108.7(5) . . ?
C3 C2 H2 125.6 . . ?
C2 C3 H3 126.5 . . ?
C2 C3 C4 107.0(5) . . ?
C4 C3 H3 126.5 . . ?
N1 C4 C3 108.1(4) . . ?
N1 C4 C5 126.4(5) . . ?
C5 C4 C3 125.4(5) . . ?
C4 C5 C17 116.2(5) . . ?
C6 C5 C4 125.4(5) . . ?
C6 C5 C17 118.4(4) . . ?
N2 C6 C5 127.4(4) . . ?
N2 C6 C7 107.1(4) . . ?
C5 C6 C7 125.5(5) . . ?
C6 C7 H7 126.1 . . ?
C8 C7 C6 107.8(5) . . ?
C8 C7 H7 126.1 . . ?
C7 C8 H8 125.8 . . ?
C7 C8 C9 108.5(5) . . ?
C9 C8 H8 125.8 . . ?
N2 C9 C8 107.5(4) . . ?
N2 C9 C10 126.7(4) . 3_666 ?
C10 C9 C8 125.8(5) 3_666 . ?
C1 C10 C9 124.9(5) . 3_666 ?
C1 C10 C11 117.6(5) . . ?
C9 C10 C11 117.5(5) 3_666 . ?
C12 C11 C10 120.8(6) . . ?
C12 C11 C16 118.5(6) . . ?
C16 C11 C10 120.7(6) . . ?
C11 C12 H12 119.4 . . ?
C11 C12 C13 121.2(9) . . ?
C13 C12 H12 119.4 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.4(10) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 120.3 . . ?
C13 C14 C15 119.5(8) . . ?
C15 C14 H14 120.3 . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120.4(9) . . ?
C16 C15 H15 119.8 . . ?
C11 C16 C15 120.1(9) . . ?
C11 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C18 C17 C5 120.9(6) . . ?
C22 C17 C5 120.0(6) . . ?
C22 C17 C18 119.1(6) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 C17 119.5(7) . . ?
C19 C18 H18 120.3 . . ?
C18 C19 H19 119.3 . . ?
C20 C19 C18 121.3(8) . . ?
C20 C19 H19 119.3 . . ?
C19 C20 H20 120.2 . . ?
C19 C20 C21 119.7(7) . . ?
C21 C20 H20 120.2 . . ?
C20 C21 H21 120.1 . . ?
C22 C21 C20 119.8(8) . . ?
C22 C21 H21 120.1 . . ?
C17 C22 C21 120.5(8) . . ?
C17 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
O1 C23 H23A 109.5 . . ?
O1 C23 H23B 109.5 . . ?
O1 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O1A Sb2 O1A 180.00(18) . 3_565 ?
O1A Sb2 N1A 87.34(17) . 3_565 ?
O1A Sb2 N1A 92.66(17) . . ?
O1A Sb2 N1A 92.66(17) 3_565 3_565 ?
O1A Sb2 N1A 87.34(17) 3_565 . ?
O1A Sb2 N2A 88.18(18) 3_565 . ?
O1A Sb2 N2A 91.82(18) 3_565 3_565 ?
O1A Sb2 N2A 88.18(18) . 3_565 ?
O1A Sb2 N2A 91.82(18) . . ?
N1A Sb2 N1A 180.0(2) 3_565 . ?
N1A Sb2 N2A 90.56(18) . 3_565 ?
N1A Sb2 N2A 89.43(18) . . ?
N1A Sb2 N2A 90.57(18) 3_565 . ?
N1A Sb2 N2A 89.44(18) 3_565 3_565 ?
N2A Sb2 N2A 180.0 . 3_565 ?
C23A O1A Sb2 123.7(4) . . ?
C1A N1A Sb2 125.5(3) . . ?
C1A N1A C4A 108.2(4) . . ?
C4A N1A Sb2 126.2(4) . . ?
C6A N2A Sb2 126.0(4) . . ?
C9A N2A Sb2 125.4(3) . . ?
C9A N2A C6A 108.1(4) . . ?
N1A C1A C2A 108.1(5) . . ?
N1A C1A C10A 126.4(5) . 3_565 ?
C10A C1A C2A 125.6(5) 3_565 . ?
C1A C2A H2A 126.1 . . ?
C3A C2A C1A 107.8(5) . . ?
C3A C2A H2A 126.1 . . ?
C2A C3A H3A 125.5 . . ?
C2A C3A C4A 109.1(5) . . ?
C4A C3A H3A 125.5 . . ?
N1A C4A C3A 106.8(5) . . ?
N1A C4A C5A 126.1(5) . . ?
C5A C4A C3A 127.0(5) . . ?
C4A C5A C6A 125.8(5) . . ?
C4A C5A C17A 117.3(5) . . ?
C6A C5A C17A 116.8(5) . . ?
N2A C6A C5A 125.9(5) . . ?
N2A C6A C7A 107.3(5) . . ?
C5A C6A C7A 126.8(5) . . ?
C6A C7A H7A 125.6 . . ?
C8A C7A C6A 108.7(5) . . ?
C8A C7A H7A 125.6 . . ?
C7A C8A H8A 126.3 . . ?
C7A C8A C9A 107.5(6) . . ?
C9A C8A H8A 126.3 . . ?
N2A C9A C8A 108.4(5) . . ?
N2A C9A C10A 126.9(5) . . ?
C10A C9A C8A 124.6(6) . . ?
C1A C10A C11A 117.4(5) 3_565 . ?
C9A C10A C1A 125.1(5) . 3_565 ?
C9A C10A C11A 117.5(5) . . ?
C12A C11A C10A 121.9(6) . . ?
C12A C11A C16A 117.7(6) . . ?
C16A C11A C10A 120.4(6) . . ?
C11A C12A H12A 119.7 . . ?
C11A C12A C13A 120.5(7) . . ?
C13A C12A H12A 119.7 . . ?
C12A C13A H13A 119.9 . . ?
C14A C13A C12A 120.2(8) . . ?
C14A C13A H13A 119.9 . . ?
C13A C14A H14A 120.3 . . ?
C13A C14A C15A 119.4(8) . . ?
C15A C14A H14A 120.3 . . ?
C14A C15A H15A 119.8 . . ?
C16A C15A C14A 120.5(8) . . ?
C16A C15A H15A 119.8 . . ?
C11A C16A H16A 119.2 . . ?
C15A C16A C11A 121.7(8) . . ?
C15A C16A H16A 119.2 . . ?
C18A C17A C5A 120.1(6) . . ?
C22A C17A C5A 121.1(6) . . ?
C22A C17A C18A 118.7(6) . . ?
C17A C18A H18A 120.1 . . ?
C19A C18A C17A 119.7(7) . . ?
C19A C18A H18A 120.1 . . ?
C18A C19A H19A 119.4 . . ?
C20A C19A C18A 121.2(8) . . ?
C20A C19A H19A 119.4 . . ?
C19A C20A H20A 120.3 . . ?
C19A C20A C21A 119.4(7) . . ?
C21A C20A H20A 120.3 . . ?
C20A C21A H21A 119.9 . . ?
C20A C21A C22A 120.1(8) . . ?
C22A C21A H21A 119.9 . . ?
C17A C22A C21A 120.8(7) . . ?
C17A C22A H22A 119.6 . . ?
C21A C22A H22A 119.6 . . ?
O1A C23A H23D 109.5 . . ?
O1A C23A H23E 109.5 . . ?
O1A C23A H23F 109.5 . . ?
H23D C23A H23E 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
Cl1 C24 Cl2 109.0(6) . . ?
Cl1 C24 Cl3 109.3(6) . . ?
Cl1 C24 H24 109.0 . . ?
Cl2 C24 H24 109.0 . . ?
Cl3 C24 Cl2 111.5(6) . . ?
Cl3 C24 H24 109.0 . . ?
Cl4 C25 Cl5 108.5(6) . . ?
Cl4 C25 H25 109.2 . . ?
Cl5 C25 H25 109.2 . . ?
Cl6 C25 Cl4 111.5(6) . . ?
Cl6 C25 Cl5 109.2(6) . . ?
Cl6 C25 H25 109.2 . . ?
F1 P1 F6 88.2(5) . . ?
F2 P1 F1 90.7(6) . . ?
F2 P1 F3 94.7(5) . . ?
F2 P1 F6 81.5(6) . . ?
F3 P1 F1 173.4(6) . . ?
F3 P1 F6 88.9(5) . . ?
F4 P1 F1 86.7(6) . . ?
F4 P1 F2 172.6(7) . . ?
F4 P1 F3 87.5(6) . . ?
F4 P1 F6 91.5(7) . . ?
F5 P1 F1 92.0(6) . . ?
F5 P1 F2 95.4(8) . . ?
F5 P1 F3 91.3(6) . . ?
F5 P1 F4 91.5(8) . . ?
F5 P1 F6 177.0(9) . . ?
Cl8 C26 H26 114.1 . . ?
Cl8 C26 Cl9 99.4(6) . . ?
Cl7 C26 Cl8 113.6(9) . . ?
Cl7 C26 H26 114.1 . . ?
Cl7 C26 Cl9 99.7(6) . . ?
Cl9 C26 H26 114.1 . . ?
Cl7A C27 H27 115.3 . . ?
Cl8A C27 Cl7A 107.4(9) . . ?
Cl8A C27 H27 115.3 . . ?
Cl9A C27 Cl7A 98.1(7) . . ?
Cl9A C27 Cl8A 103.4(13) . . ?
Cl9A C27 H27 115.3 . . ?
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 1.967(4) . ?
Sb1 O1 1.967(4) 3_666 ?
Sb1 N1 2.079(4) 3_666 ?
Sb1 N1 2.079(4) . ?
Sb1 N2 2.077(4) 3_666 ?
Sb1 N2 2.077(4) . ?
O1 C23 1.376(8) . ?
N1 C1 1.373(6) . ?
N1 C4 1.375(6) . ?
N2 C6 1.378(6) . ?
N2 C9 1.374(6) . ?
C1 C2 1.427(8) . ?
C1 C10 1.403(7) . ?
C2 H2 0.9400 . ?
C2 C3 1.351(8) . ?
C3 H3 0.9400 . ?
C3 C4 1.435(8) . ?
C4 C5 1.406(7) . ?
C5 C6 1.392(7) . ?
C5 C17 1.500(7) . ?
C6 C7 1.446(7) . ?
C7 H7 0.9400 . ?
C7 C8 1.346(8) . ?
C8 H8 0.9400 . ?
C8 C9 1.432(7) . ?
C9 C10 1.409(8) 3_666 ?
C10 C11 1.492(7) . ?
C11 C12 1.368(10) . ?
C11 C16 1.379(10) . ?
C12 H12 0.9400 . ?
C12 C13 1.388(10) . ?
C13 H13 0.9400 . ?
C13 C14 1.353(16) . ?
C14 H14 0.9400 . ?
C14 C15 1.374(16) . ?
C15 H15 0.9400 . ?
C15 C16 1.394(11) . ?
C16 H16 0.9400 . ?
C17 C18 1.394(9) . ?
C17 C22 1.376(9) . ?
C18 H18 0.9400 . ?
C18 C19 1.385(9) . ?
C19 H19 0.9400 . ?
C19 C20 1.349(13) . ?
C20 H20 0.9400 . ?
C20 C21 1.389(14) . ?
C21 H21 0.9400 . ?
C21 C22 1.382(10) . ?
C22 H22 0.9400 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?
Sb2 O1A 1.950(4) 3_565 ?
Sb2 O1A 1.950(4) . ?
Sb2 N1A 2.070(4) 3_565 ?
Sb2 N1A 2.070(4) . ?
Sb2 N2A 2.079(4) . ?
Sb2 N2A 2.079(4) 3_565 ?
O1A C23A 1.385(8) . ?
N1A C1A 1.383(7) . ?
N1A C4A 1.389(6) . ?
N2A C6A 1.387(7) . ?
N2A C9A 1.371(7) . ?
C1A C2A 1.418(8) . ?
C1A C10A 1.417(7) 3_565 ?
C2A H2A 0.9400 . ?
C2A C3A 1.346(8) . ?
C3A H3A 0.9400 . ?
C3A C4A 1.424(8) . ?
C4A C5A 1.393(8) . ?
C5A C6A 1.394(8) . ?
C5A C17A 1.498(7) . ?
C6A C7A 1.430(8) . ?
C7A H7A 0.9400 . ?
C7A C8A 1.345(9) . ?
C8A H8A 0.9400 . ?
C8A C9A 1.432(8) . ?
C9A C10A 1.409(8) . ?
C10A C11A 1.479(8) . ?
C11A C12A 1.375(9) . ?
C11A C16A 1.392(9) . ?
C12A H12A 0.9400 . ?
C12A C13A 1.400(10) . ?
C13A H13A 0.9400 . ?
C13A C14A 1.369(13) . ?
C14A H14A 0.9400 . ?
C14A C15A 1.370(13) . ?
C15A H15A 0.9400 . ?
C15A C16A 1.362(11) . ?
C16A H16A 0.9400 . ?
C17A C18A 1.390(9) . ?
C17A C22A 1.368(9) . ?
C18A H18A 0.9400 . ?
C18A C19A 1.382(10) . ?
C19A H19A 0.9400 . ?
C19A C20A 1.356(13) . ?
C20A H20A 0.9400 . ?
C20A C21A 1.371(12) . ?
C21A H21A 0.9400 . ?
C21A C22A 1.386(9) . ?
C22A H22A 0.9400 . ?
C23A H23D 0.9700 . ?
C23A H23E 0.9700 . ?
C23A H23F 0.9700 . ?
Cl1 C24 1.713(10) . ?
Cl2 C24 1.759(12) . ?
Cl3 C24 1.726(12) . ?
C24 H24 0.9900 . ?
Cl4 C25 1.728(10) . ?
Cl5 C25 1.762(11) . ?
Cl6 C25 1.721(10) . ?
C25 H25 0.9900 . ?
P1 F1 1.570(8) . ?
P1 F2 1.533(9) . ?
P1 F3 1.552(8) . ?
P1 F4 1.523(9) . ?
P1 F5 1.479(8) . ?
P1 F6 1.576(9) . ?
Cl8 C26 1.773(9) . ?
Cl7 C26 1.767(9) . ?
C26 H26 0.9900 . ?
C26 Cl9 1.782(10) . ?
Cl7A C27 1.794(10) . ?
Cl8A C27 1.783(10) . ?
C27 H27 0.9900 . ?
C27 Cl9A 1.775(10) . ?
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 N1 C1 C2 178.6(4) . . . . ?
Sb1 N1 C1 C10 -1.1(9) . . . . ?
Sb1 N1 C4 C3 -178.0(4) . . . . ?
Sb1 N1 C4 C5 0.3(8) . . . . ?
Sb1 N2 C6 C5 -1.6(8) . . . . ?
Sb1 N2 C6 C7 179.8(4) . . . . ?
Sb1 N2 C9 C8 -179.4(4) . . . . ?
Sb1 N2 C9 C10 0.2(8) . . . 3_666 ?
N1 C1 C2 C3 -0.1(7) . . . . ?
N1 C1 C10 C9 0.8(10) . . . 3_666 ?
N1 C1 C10 C11 -178.8(6) . . . . ?
N1 C4 C5 C6 -1.1(10) . . . . ?
N1 C4 C5 C17 178.4(5) . . . . ?
N2 C6 C7 C8 -0.7(7) . . . . ?
C1 N1 C4 C3 1.3(6) . . . . ?
C1 N1 C4 C5 179.7(6) . . . . ?
C1 C2 C3 C4 0.9(7) . . . . ?
C1 C10 C11 C12 66.4(8) . . . . ?
C1 C10 C11 C16 -112.4(7) . . . . ?
C2 C1 C10 C9 -178.8(6) . . . 3_666 ?
C2 C1 C10 C11 1.6(9) . . . . ?
C2 C3 C4 N1 -1.4(7) . . . . ?
C2 C3 C4 C5 -179.8(6) . . . . ?
C3 C4 C5 C6 177.0(6) . . . . ?
C3 C4 C5 C17 -3.5(9) . . . . ?
C4 N1 C1 C2 -0.8(7) . . . . ?
C4 N1 C1 C10 179.5(6) . . . . ?
C4 C5 C6 N2 1.8(9) . . . . ?
C4 C5 C6 C7 -179.9(6) . . . . ?
C4 C5 C17 C18 109.0(6) . . . . ?
C4 C5 C17 C22 -70.1(8) . . . . ?
C5 C6 C7 C8 -179.3(6) . . . . ?
C5 C17 C18 C19 -177.7(6) . . . . ?
C5 C17 C22 C21 178.3(7) . . . . ?
C6 N2 C9 C8 0.0(6) . . . . ?
C6 N2 C9 C10 179.6(5) . . . 3_666 ?
C6 C5 C17 C18 -71.5(7) . . . . ?
C6 C5 C17 C22 109.4(7) . . . . ?
C6 C7 C8 C9 0.7(7) . . . . ?
C7 C8 C9 N2 -0.5(7) . . . . ?
C7 C8 C9 C10 180.0(6) . . . 3_666 ?
C9 N2 C6 C5 178.9(5) . . . . ?
C9 N2 C6 C7 0.4(6) . . . . ?
C9 C10 C11 C12 -113.3(7) 3_666 . . . ?
C9 C10 C11 C16 67.9(8) 3_666 . . . ?
C10 C1 C2 C3 179.6(6) . . . . ?
C10 C11 C12 C13 179.8(7) . . . . ?
C10 C11 C16 C15 179.9(6) . . . . ?
C11 C12 C13 C14 1.1(12) . . . . ?
C12 C11 C16 C15 1.1(10) . . . . ?
C12 C13 C14 C15 -0.6(13) . . . . ?
C13 C14 C15 C16 0.4(13) . . . . ?
C14 C15 C16 C11 -0.6(11) . . . . ?
C16 C11 C12 C13 -1.3(10) . . . . ?
C17 C5 C6 N2 -177.6(5) . . . . ?
C17 C5 C6 C7 0.7(9) . . . . ?
C17 C18 C19 C20 -1.0(12) . . . . ?
C18 C17 C22 C21 -0.8(11) . . . . ?
C18 C19 C20 C21 0.1(13) . . . . ?
C19 C20 C21 C22 0.5(14) . . . . ?
C20 C21 C22 C17 -0.2(13) . . . . ?
C22 C17 C18 C19 1.4(10) . . . . ?
Sb2 N1A C1A C2A 175.8(4) . . . . ?
Sb2 N1A C1A C10A -3.8(8) . . . 3_565 ?
Sb2 N1A C4A C3A -175.4(4) . . . . ?
Sb2 N1A C4A C5A 5.2(8) . . . . ?
Sb2 N2A C6A C5A 7.0(8) . . . . ?
Sb2 N2A C6A C7A -172.7(4) . . . . ?
Sb2 N2A C9A C8A 173.1(4) . . . . ?
Sb2 N2A C9A C10A -3.1(9) . . . . ?
N1A C1A C2A C3A -0.1(7) . . . . ?
N1A C4A C5A C6A -4.3(9) . . . . ?
N1A C4A C5A C17A 177.4(5) . . . . ?
N2A C6A C7A C8A -0.8(7) . . . . ?
N2A C9A C10A C1A 2.1(10) . . . 3_565 ?
N2A C9A C10A C11A -177.2(6) . . . . ?
C1A N1A C4A C3A 0.9(6) . . . . ?
C1A N1A C4A C5A -178.5(5) . . . . ?
C1A C2A C3A C4A 0.7(7) . . . . ?
C1A C10A C11A C12A 64.0(8) 3_565 . . . ?
C1A C10A C11A C16A -114.8(7) 3_565 . . . ?
C2A C3A C4A N1A -1.0(7) . . . . ?
C2A C3A C4A C5A 178.4(6) . . . . ?
C3A C4A C5A C6A 176.4(6) . . . . ?
C3A C4A C5A C17A -1.8(9) . . . . ?
C4A N1A C1A C2A -0.5(6) . . . . ?
C4A N1A C1A C10A 179.9(5) . . . 3_565 ?
C4A C5A C6A N2A -2.3(9) . . . . ?
C4A C5A C6A C7A 177.3(6) . . . . ?
C4A C5A C17A C18A -62.4(8) . . . . ?
C4A C5A C17A C22A 116.9(7) . . . . ?
C5A C6A C7A C8A 179.6(6) . . . . ?
C5A C17A C18A C19A 178.9(7) . . . . ?
C5A C17A C22A C21A -179.2(6) . . . . ?
C6A N2A C9A C8A -0.3(7) . . . . ?
C6A N2A C9A C10A -176.4(6) . . . . ?
C6A C5A C17A C18A 119.1(7) . . . . ?
C6A C5A C17A C22A -61.6(8) . . . . ?
C6A C7A C8A C9A 0.6(8) . . . . ?
C7A C8A C9A N2A -0.2(7) . . . . ?
C7A C8A C9A C10A 176.1(6) . . . . ?
C8A C9A C10A C1A -173.4(6) . . . 3_565 ?
C8A C9A C10A C11A 7.3(9) . . . . ?
C9A N2A C6A C5A -179.7(6) . . . . ?
C9A N2A C6A C7A 0.6(6) . . . . ?
C9A C10A C11A C12A -116.7(6) . . . . ?
C9A C10A C11A C16A 64.6(8) . . . . ?
C10A C1A C2A C3A 179.5(6) 3_565 . . . ?
C10A C11A C12A C13A -178.7(6) . . . . ?
C10A C11A C16A C15A 178.9(6) . . . . ?
C11A C12A C13A C14A -0.2(10) . . . . ?
C12A C11A C16A C15A 0.1(10) . . . . ?
C12A C13A C14A C15A 0.1(11) . . . . ?
C13A C14A C15A C16A 0.0(12) . . . . ?
C14A C15A C16A C11A -0.1(12) . . . . ?
C16A C11A C12A C13A 0.1(9) . . . . ?
C17A C5A C6A N2A 176.0(5) . . . . ?
C17A C5A C6A C7A -4.4(9) . . . . ?
C17A C18A C19A C20A -0.3(13) . . . . ?
C18A C17A C22A C21A 0.1(10) . . . . ?
C18A C19A C20A C21A 1.3(14) . . . . ?
C19A C20A C21A C22A -1.6(13) . . . . ?
C20A C21A C22A C17A 0.9(12) . . . . ?
C22A C17A C18A C19A -0.4(11) . . . . ?
