#------------------------------------------------------------------------------
#$Date: 2017-07-26 05:08:44 +0300 (Wed, 26 Jul 2017) $
#$Revision: 199332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/38/7043812.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_7043812
loop_
_publ_author_name
'Waters, Jordan'
'Chen, Qien'
'Everitt, Thomas'
'Goicoechea, Jose M.'
_publ_section_title
;
 N-heterocyclic carbene adducts of the heavier group 15 tribromides.
 Normal to abnormal isomerism and bromide ion abstraction.
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02431B
_journal_year                    2017
_chemical_formula_moiety         'C27 H36 Br3 N2 Sb, 2(C4 H8 O)'
_chemical_formula_sum            'C35 H52 Br3 N2 O2 Sb'
_chemical_formula_weight         894.26
_chemical_name_systematic
;
 (aIPr)SbBr3*2THF
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2017-07-04 deposited with the CCDC.
2017-07-21 downloaded from the CCDC.
;
_cell_angle_alpha                98.938(2)
_cell_angle_beta                 101.958(2)
_cell_angle_gamma                95.680(2)
_cell_formula_units_Z            2
_cell_length_a                   11.0863(3)
_cell_length_b                   11.8231(2)
_cell_length_c                   15.2363(3)
_cell_measurement_reflns_used    20593
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      76.1930
_cell_measurement_theta_min      4.0560
_cell_volume                     1912.17(8)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    'WinGX (Farrugia, 2005)'
_computing_publication_material  'XCIF (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4102
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            38814
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.392
_diffrn_reflns_theta_min         3.820
_exptl_absorpt_coefficient_mu    9.626
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38814
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35g (release 09-12-2014 CrysAlis171 .NET)
(compiled Dec  9 2014,15:38:47)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_description       block
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.228
_refine_diff_density_min         -1.501
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         7943
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0584P)²+3.7722P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1105
_refine_ls_wR_factor_ref         0.1144
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7454
_reflns_number_total             7943
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt02431b2.cif
_cod_data_source_block           5
_cod_original_cell_volume        1912.17(7)
_cod_database_code               7043812
_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_min   0.249
_shelx_estimated_absorpt_t_max   0.513
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.37637(2) 0.95292(2) 0.35680(2) 0.03954(9) Uani 1 1 d . . . . .
Br1 Br 0.18363(5) 0.79142(7) 0.29441(5) 0.0804(2) Uani 1 1 d . . . . .
Br2 Br 0.61572(5) 1.10183(3) 0.44780(3) 0.04830(12) Uani 1 1 d . . . . .
Br3 Br 0.36515(6) 1.02442(6) 0.20451(4) 0.07448(19) Uani 1 1 d . . . . .
C1 C 0.6318(4) 0.7102(3) 0.2878(3) 0.0372(7) Uani 1 1 d . . . . .
H1 H 0.6828 0.6740 0.2521 0.045 Uiso 1 1 calc R U . . .
N1 N 0.6203(3) 0.6899(2) 0.3685(2) 0.0327(6) Uani 1 1 d . . . . .
C2 C 0.5384(3) 0.7593(3) 0.3983(2) 0.0318(7) Uani 1 1 d . . . . .
H2 H 0.5134 0.7617 0.4545 0.038 Uiso 1 1 calc R U . . .
C3 C 0.4994(3) 0.8235(3) 0.3342(2) 0.0316(6) Uani 1 1 d . . . . .
N2 N 0.5602(3) 0.7898(2) 0.2642(2) 0.0337(6) Uani 1 1 d . . . . .
C4 C 0.6858(4) 0.6098(3) 0.4172(3) 0.0387(8) Uani 1 1 d . . . . .
C5 C 0.7946(4) 0.6538(3) 0.4827(3) 0.0473(9) Uani 1 1 d . . . . .
C6 C 0.8559(5) 0.5742(4) 0.5283(4) 0.0600(12) Uani 1 1 d . . . . .
H6 H 0.9313 0.6002 0.5728 0.072 Uiso 1 1 calc R U . . .
C7 C 0.8085(5) 0.4590(4) 0.5093(4) 0.0626(13) Uani 1 1 d . . . . .
H7 H 0.8506 0.4067 0.5419 0.075 Uiso 1 1 calc R U . . .
C8 C 0.7013(5) 0.4184(3) 0.4441(4) 0.0557(12) Uani 1 1 d . . . . .
H8 H 0.6710 0.3383 0.4319 0.067 Uiso 1 1 calc R U . . .
C9 C 0.6354(4) 0.4927(3) 0.3952(3) 0.0432(9) Uani 1 1 d . . . . .
C10 C 0.8464(4) 0.7816(4) 0.5057(4) 0.0559(11) Uani 1 1 d . . . . .
H10 H 0.7903 0.8233 0.4655 0.067 Uiso 1 1 calc R U . . .
C11 C 0.9767(5) 0.8016(5) 0.4873(5) 0.0716(15) Uani 1 1 d . . . . .
H11A H 1.0325 0.7586 0.5239 0.107 Uiso 1 1 calc R U . . .
H11B H 1.0084 0.8842 0.5036 0.107 Uiso 1 1 calc R U . . .
H11C H 0.9727 0.7747 0.4224 0.107 Uiso 1 1 calc R U . . .
C12 C 0.8485(5) 0.8316(4) 0.6047(5) 0.0745(17) Uani 1 1 d . . . . .
H12A H 0.7659 0.8135 0.6166 0.112 Uiso 1 1 calc R U . . .
H12B H 0.8714 0.9157 0.6156 0.112 Uiso 1 1 calc R U . . .
H12C H 0.9097 0.7978 0.6454 0.112 Uiso 1 1 calc R U . . .
C13 C 0.5182(5) 0.4474(3) 0.3226(3) 0.0499(10) Uani 1 1 d . . . . .
H13 H 0.4838 0.5148 0.2992 0.060 Uiso 1 1 calc R U . . .
C14 C 0.5456(8) 0.3663(5) 0.2423(5) 0.094(2) Uani 1 1 d . . . . .
H14A H 0.6080 0.4072 0.2171 0.141 Uiso 1 1 calc R U . . .
H14B H 0.4689 0.3415 0.1949 0.141 Uiso 1 1 calc R U . . .
H14C H 0.5774 0.2985 0.2635 0.141 Uiso 1 1 calc R U . . .
C15 C 0.4198(6) 0.3851(6) 0.3618(4) 0.0762(16) Uani 1 1 d . . . . .
H15A H 0.4509 0.3176 0.3840 0.114 Uiso 1 1 calc R U . . .
H15B H 0.3435 0.3599 0.3141 0.114 Uiso 1 1 calc R U . . .
H15C H 0.4019 0.4378 0.4124 0.114 Uiso 1 1 calc R U . . .
C16 C 0.5539(4) 0.8227(4) 0.1750(3) 0.0421(8) Uani 1 1 d . . . . .
C17 C 0.6448(4) 0.9073(4) 0.1669(3) 0.0457(9) Uani 1 1 d . . . . .
C18 C 0.6427(6) 0.9277(5) 0.0784(4) 0.0676(15) Uani 1 1 d . . . . .
H18 H 0.7030 0.9850 0.0694 0.081 Uiso 1 1 calc R U . . .
C19 C 0.5554(7) 0.8667(6) 0.0044(4) 0.082(2) Uani 1 1 d . . . . .
H19 H 0.5570 0.8815 -0.0549 0.098 Uiso 1 1 calc R U . . .
C20 C 0.4666(6) 0.7852(7) 0.0151(4) 0.0802(18) Uani 1 1 d . . . . .
H20 H 0.4062 0.7446 -0.0367 0.096 Uiso 1 1 calc R U . . .
C21 C 0.4631(5) 0.7604(5) 0.1013(3) 0.0645(13) Uani 1 1 d . . . . .
C22 C 0.7416(5) 0.9738(4) 0.2477(3) 0.0529(11) Uani 1 1 d . . . . .
H22 H 0.7110 0.9643 0.3037 0.064 Uiso 1 1 calc R U . . .
C23 C 0.8654(5) 0.9243(5) 0.2555(4) 0.0663(13) Uani 1 1 d . . . . .
H23A H 0.8512 0.8415 0.2567 0.099 Uiso 1 1 calc R U . . .
H23B H 0.9239 0.9639 0.3118 0.099 Uiso 1 1 calc R U . . .
H23C H 0.9003 0.9358 0.2029 0.099 Uiso 1 1 calc R U . . .
C24 C 0.7617(7) 1.1037(4) 0.2462(5) 0.0776(18) Uani 1 1 d . . . . .
H24A H 0.7977 1.1164 0.1944 0.116 Uiso 1 1 calc R U . . .
H24B H 0.8184 1.1439 0.3031 0.116 Uiso 1 1 calc R U . . .
H24C H 0.6816 1.1337 0.2401 0.116 Uiso 1 1 calc R U . . .
C25 C 0.352(2) 0.689(3) 0.1091(10) 0.067(5) Uani 0.58(6) 1 d . . P A 1
H25 H 0.3507 0.6990 0.1753 0.080 Uiso 0.58(6) 1 calc R U P A 1
C26 C 0.373(4) 0.563(2) 0.0789(15) 0.101(8) Uani 0.58(6) 1 d . . P A 1
H26A H 0.3726 0.5499 0.0137 0.152 Uiso 0.58(6) 1 calc R U P A 1
H26B H 0.3072 0.5101 0.0903 0.152 Uiso 0.58(6) 1 calc R U P A 1
H26C H 0.4542 0.5505 0.1136 0.152 Uiso 0.58(6) 1 calc R U P A 1
C27 C 0.226(2) 0.713(4) 0.0585(10) 0.101(8) Uani 0.58(6) 1 d . . P A 1
H27A H 0.2169 0.7944 0.0780 0.151 Uiso 0.58(6) 1 calc R U P A 1
H27B H 0.1594 0.6631 0.0723 0.151 Uiso 0.58(6) 1 calc R U P A 1
H27C H 0.2215 0.6983 -0.0073 0.151 Uiso 0.58(6) 1 calc R U P A 1
C25B C 0.383(2) 0.644(4) 0.1171(16) 0.062(6) Uani 0.42(6) 1 d . . P A 2
H25B H 0.3866 0.6512 0.1838 0.074 Uiso 0.42(6) 1 calc R U P A 2
C26B C 0.424(3) 0.527(3) 0.0853(19) 0.085(7) Uani 0.42(6) 1 d . . P A 2
H26D H 0.3674 0.4648 0.0964 0.128 Uiso 0.42(6) 1 calc R U P A 2
H26E H 0.5089 0.5246 0.1192 0.128 Uiso 0.42(6) 1 calc R U P A 2
H26F H 0.4222 0.5177 0.0199 0.128 Uiso 0.42(6) 1 calc R U P A 2
C27B C 0.249(2) 0.646(5) 0.068(2) 0.101(11) Uani 0.42(6) 1 d . . P A 2
H27D H 0.2429 0.6379 0.0025 0.151 Uiso 0.42(6) 1 calc R U P A 2
H27E H 0.2216 0.7188 0.0909 0.151 Uiso 0.42(6) 1 calc R U P A 2
H27F H 0.1952 0.5812 0.0800 0.151 Uiso 0.42(6) 1 calc R U P A 2
O101 O 0.8199(5) 0.5672(5) 0.2179(4) 0.1073(19) Uani 1 1 d D . . . .
C101 C 0.8965(9) 0.5103(9) 0.2765(7) 0.133(4) Uani 1 1 d D . . . .
H10A H 0.9483 0.5670 0.3287 0.160 Uiso 1 1 calc R U . . .
H10B H 0.8451 0.4546 0.3006 0.160 Uiso 1 1 calc R U . . .
C102 C 0.9728(12) 0.4520(11) 0.2277(7) 0.161(5) Uani 1 1 d D . . . .
H10C H 0.9376 0.3696 0.2069 0.193 Uiso 1 1 calc R U . . .
H10D H 1.0572 0.4567 0.2666 0.193 Uiso 1 1 calc R U . . .
C103 C 0.9780(7) 0.5068(7) 0.1517(5) 0.092(2) Uani 1 1 d D . . . .
H10E H 0.9587 0.4489 0.0946 0.110 Uiso 1 1 calc R U . . .
H10F H 1.0619 0.5495 0.1589 0.110 Uiso 1 1 calc R U . . .
C104 C 0.8821(7) 0.5888(6) 0.1493(4) 0.0824(17) Uani 1 1 d D . . . .
H10G H 0.9225 0.6700 0.1620 0.099 Uiso 1 1 calc R U . . .
H10H H 0.8233 0.5738 0.0890 0.099 Uiso 1 1 calc R U . . .
O201 O 0.0284(15) 0.8571(13) -0.0669(11) 0.281(8) Uani 1 1 d D . . . .
C201 C -0.0699(14) 0.827(2) -0.1368(11) 0.229(10) Uani 1 1 d D . . . .
H20A H -0.0454 0.7871 -0.1910 0.275 Uiso 1 1 calc R U . . .
H20B H -0.1062 0.8969 -0.1525 0.275 Uiso 1 1 calc R U . . .
C202 C -0.1581(9) 0.7522(10) -0.1081(10) 0.139(4) Uani 1 1 d D . . . .
H20C H -0.2412 0.7782 -0.1199 0.167 Uiso 1 1 calc R U . . .
H20D H -0.1652 0.6720 -0.1413 0.167 Uiso 1 1 calc R U . . .
C203 C -0.113(2) 0.758(2) -0.0173(14) 0.290(14) Uani 1 1 d D . . . .
H20E H -0.0639 0.6946 -0.0052 0.348 Uiso 1 1 calc R U . . .
H20F H -0.1815 0.7556 0.0156 0.348 Uiso 1 1 calc R U . . .
C204 C -0.0299(19) 0.878(3) 0.0100(12) 0.51(4) Uani 1 1 d D . . . .
H20G H -0.0785 0.9437 0.0084 0.616 Uiso 1 1 calc R U . . .
H20H H 0.0297 0.8872 0.0696 0.616 Uiso 1 1 calc R U . . .
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'
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'
Br Br -0.6763 1.2805 '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_3
C3 Sb1 Br3 96.72(9) .
C3 Sb1 Br1 89.43(9) .
Br3 Sb1 Br1 95.11(3) .
C3 Sb1 Br2 82.63(9) .
Br3 Sb1 Br2 93.71(2) .
Br1 Sb1 Br2 168.76(2) .
C3 Sb1 Br2 89.80(9) 2_676
Br3 Sb1 Br2 172.588(18) 2_676
Br1 Sb1 Br2 88.457(19) 2_676
Br2 Sb1 Br2 83.595(12) 2_676
N1 C1 N2 109.0(3) .
N1 C1 H1 125.5 .
N2 C1 H1 125.5 .
C1 N1 C2 108.2(3) .
C1 N1 C4 125.0(3) .
C2 N1 C4 126.8(3) .
C3 C2 N1 108.8(3) .
C3 C2 H2 125.6 .
N1 C2 H2 125.6 .
C2 C3 N2 104.8(3) .
C2 C3 Sb1 121.1(2) .
N2 C3 Sb1 134.0(2) .
C1 N2 C3 109.2(3) .
C1 N2 C16 118.8(3) .
C3 N2 C16 132.0(3) .
C5 C4 C9 124.0(4) .
C5 C4 N1 118.1(3) .
C9 C4 N1 117.9(4) .
C4 C5 C6 116.7(4) .
C4 C5 C10 122.8(4) .
C6 C5 C10 120.4(4) .
C7 C6 C5 120.8(5) .
C7 C6 H6 119.6 .
C5 C6 H6 119.6 .
C8 C7 C6 121.0(4) .
C8 C7 H7 119.5 .
C6 C7 H7 119.5 .
C7 C8 C9 121.5(4) .
C7 C8 H8 119.3 .
C9 C8 H8 119.3 .
C8 C9 C4 116.0(4) .
C8 C9 C13 121.3(4) .
C4 C9 C13 122.8(4) .
C5 C10 C12 111.0(4) .
C5 C10 C11 111.1(4) .
C12 C10 C11 110.4(4) .
C5 C10 H10 108.1 .
C12 C10 H10 108.1 .
C11 C10 H10 108.1 .
C10 C11 H11A 109.5 .
C10 C11 H11B 109.5 .
H11A C11 H11B 109.5 .
C10 C11 H11C 109.5 .
H11A C11 H11C 109.5 .
H11B C11 H11C 109.5 .
C10 C12 H12A 109.5 .
C10 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
C10 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
C9 C13 C15 111.2(4) .
C9 C13 C14 111.1(5) .
C15 C13 C14 110.0(4) .
C9 C13 H13 108.1 .
C15 C13 H13 108.1 .
C14 C13 H13 108.1 .
C13 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C13 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C13 C15 H15A 109.5 .
C13 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C13 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
C17 C16 C21 123.7(4) .
C17 C16 N2 118.1(4) .
C21 C16 N2 118.0(4) .
C16 C17 C18 116.1(5) .
C16 C17 C22 122.7(4) .
C18 C17 C22 121.2(4) .
C19 C18 C17 121.5(5) .
C19 C18 H18 119.2 .
C17 C18 H18 119.2 .
C20 C19 C18 120.6(5) .
C20 C19 H19 119.7 .
C18 C19 H19 119.7 .
C19 C20 C21 121.0(6) .
C19 C20 H20 119.5 .
C21 C20 H20 119.5 .
C16 C21 C20 117.1(5) .
C16 C21 C25 124.7(7) .
C20 C21 C25 117.1(8) .
C16 C21 C25B 117.7(10) .
C20 C21 C25B 123.3(9) .
C17 C22 C24 112.8(5) .
C17 C22 C23 111.2(4) .
C24 C22 C23 110.4(4) .
C17 C22 H22 107.4 .
C24 C22 H22 107.4 .
C23 C22 H22 107.4 .
C22 C23 H23A 109.5 .
C22 C23 H23B 109.5 .
H23A C23 H23B 109.5 .
C22 C23 H23C 109.5 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
C22 C24 H24A 109.5 .
C22 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C22 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C21 C25 C27 117.6(14) .
C21 C25 C26 105.0(15) .
C27 C25 C26 111.8(13) .
C21 C25 H25 107.3 .
C27 C25 H25 107.3 .
C26 C25 H25 107.3 .
C25 C26 H26A 109.5 .
C25 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C25 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C25 C27 H27A 109.5 .
C25 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C25 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
C26B C25B C27B 109.7(16) .
C26B C25B C21 117.6(17) .
C27B C25B C21 105.8(18) .
C26B C25B H25B 107.8 .
C27B C25B H25B 107.8 .
C21 C25B H25B 107.8 .
C25B C26B H26D 109.5 .
C25B C26B H26E 109.5 .
H26D C26B H26E 109.5 .
C25B C26B H26F 109.5 .
H26D C26B H26F 109.5 .
H26E C26B H26F 109.5 .
C25B C27B H27D 109.5 .
C25B C27B H27E 109.5 .
H27D C27B H27E 109.5 .
C25B C27B H27F 109.5 .
H27D C27B H27F 109.5 .
H27E C27B H27F 109.5 .
C101 O101 C104 107.2(5) .
C102 C101 O101 108.6(7) .
C102 C101 H10A 110.0 .
O101 C101 H10A 110.0 .
C102 C101 H10B 110.0 .
O101 C101 H10B 110.0 .
H10A C101 H10B 108.4 .
C101 C102 C103 106.8(7) .
C101 C102 H10C 110.4 .
C103 C102 H10C 110.4 .
C101 C102 H10D 110.4 .
C103 C102 H10D 110.4 .
H10C C102 H10D 108.6 .
C102 C103 C104 106.1(6) .
C102 C103 H10E 110.5 .
C104 C103 H10E 110.5 .
C102 C103 H10F 110.5 .
C104 C103 H10F 110.5 .
H10E C103 H10F 108.7 .
O101 C104 C103 105.1(6) .
O101 C104 H10G 110.7 .
C103 C104 H10G 110.7 .
O101 C104 H10H 110.7 .
C103 C104 H10H 110.7 .
H10G C104 H10H 108.8 .
C201 O201 C204 102.0(14) .
O201 C201 C202 106.4(13) .
O201 C201 C204 41.0(8) .
C202 C201 C204 75.3(9) .
O201 C201 H20A 110.4 .
C202 C201 H20A 110.4 .
C204 C201 H20A 148.0 .
O201 C201 H20B 110.4 .
C202 C201 H20B 110.4 .
C204 C201 H20B 97.8 .
H20A C201 H20B 108.6 .
C203 C202 C201 105.8(12) .
C203 C202 H20C 110.6 .
C201 C202 H20C 110.6 .
C203 C202 H20D 110.6 .
C201 C202 H20D 110.6 .
H20C C202 H20D 108.7 .
C202 C203 C204 102.0(14) .
C202 C203 H20E 111.4 .
C204 C203 H20E 111.4 .
C202 C203 H20F 111.4 .
C204 C203 H20F 111.4 .
H20E C203 H20F 109.2 .
O201 C204 C203 93.5(14) .
O201 C204 C201 37.0(7) .
C203 C204 C201 71.5(9) .
O201 C204 H20G 113.0 .
C203 C204 H20G 113.0 .
C201 C204 H20G 94.1 .
O201 C204 H20H 113.0 .
C203 C204 H20H 113.0 .
C201 C204 H20H 149.0 .
H20G C204 H20H 110.4 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 C3 2.182(3) .
Sb1 Br3 2.5739(5) .
Sb1 Br1 2.6272(6) .
Sb1 Br2 2.9758(5) .
Sb1 Br2 3.1293(5) 2_676
C1 N1 1.318(5) .
C1 N2 1.334(5) .
C1 H1 0.9500 .
N1 C2 1.382(4) .
N1 C4 1.450(5) .
C2 C3 1.355(5) .
C2 H2 0.9500 .
C3 N2 1.403(4) .
N2 C16 1.462(5) .
C4 C5 1.392(6) .
C4 C9 1.403(5) .
C5 C6 1.402(6) .
C5 C10 1.522(6) .
C6 C7 1.374(7) .
C6 H6 0.9500 .
C7 C8 1.371(8) .
C7 H7 0.9500 .
C8 C9 1.402(6) .
C8 H8 0.9500 .
C9 C13 1.510(7) .
C10 C12 1.526(8) .
C10 C11 1.531(7) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C15 1.529(7) .
C13 C14 1.536(6) .
C13 H13 1.0000 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.386(6) .
C16 C21 1.395(7) .
C17 C18 1.403(6) .
C17 C22 1.506(7) .
C18 C19 1.373(10) .
C18 H18 0.9500 .
C19 C20 1.361(10) .
C19 H19 0.9500 .
C20 C21 1.396(7) .
C20 H20 0.9500 .
C21 C25 1.463(17) .
C21 C25B 1.64(3) .
C22 C24 1.534(6) .
C22 C23 1.534(7) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C27 1.52(2) .
C25 C26 1.540(19) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C25B C26B 1.53(2) .
C25B C27B 1.53(3) .
C25B H25B 1.0000 .
C26B H26D 0.9800 .
C26B H26E 0.9800 .
C26B H26F 0.9800 .
C27B H27D 0.9800 .
C27B H27E 0.9800 .
C27B H27F 0.9800 .
O101 C101 1.399(9) .
O101 C104 1.407(8) .
C101 C102 1.400(10) .
C101 H10A 0.9900 .
C101 H10B 0.9900 .
C102 C103 1.420(11) .
C102 H10C 0.9900 .
C102 H10D 0.9900 .
C103 C104 1.507(10) .
C103 H10E 0.9900 .
C103 H10F 0.9900 .
C104 H10G 0.9900 .
C104 H10H 0.9900 .
O201 C201 1.331(15) .
O201 C204 1.450(15) .
C201 C202 1.437(14) .
C201 C204 2.162(18) .
C201 H20A 0.9900 .
C201 H20B 0.9900 .
C202 C203 1.359(16) .
C202 H20C 0.9900 .
C202 H20D 0.9900 .
C203 C204 1.560(19) .
C203 H20E 0.9900 .
C203 H20F 0.9900 .
C204 H20G 0.9900 .
C204 H20H 0.9900 .
