#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/43/7114371.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_7114371
loop_
_publ_author_name
'Baker, Robert J.'
'Farley, Robert D.'
'Jones, Cameron'
'Kloth, Marc'
'Murphy, Damien M.'
_publ_section_title
;
 Synthesis and characterisation of the first carbene and
 diazabutadiene--indium(ii) complexesElectronic supplementary information
 (ESI) available: synthetic details. See
 http://www.rsc.org/suppdata/cc/b2/b202532a/
;
_journal_issue                   11
_journal_name_full               'Chemical Communications'
_journal_page_first              1196
_journal_paper_doi               10.1039/b202532a
_journal_year                    2002
_chemical_formula_sum            'C59.5 H67.5 Br4 In2 N4'
_chemical_formula_weight         1387.95
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.25(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.886(3)
_cell_length_b                   15.474(3)
_cell_length_c                   26.145(5)
_cell_measurement_temperature    150(2)
_cell_volume                     5885(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'nonius Kappa CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0819
_diffrn_reflns_av_sigmaI/netI    0.0497
_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       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            83580
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    3.539
_exptl_absorpt_correction_T_max  0.70
_exptl_absorpt_correction_T_min  0.54
_exptl_absorpt_correction_type   'sortav (Blessing)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2762
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         '1.594 (near Br1)'
_refine_diff_density_min         -1.041
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     590
_refine_ls_number_reflns         11582
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0726
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0553P)²+24.7893P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1208
_refine_ls_wR_factor_ref         0.1294
_reflns_number_gt                9147
_reflns_number_total             11582
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b202532a.txt
_cod_data_source_block           compound_5
_cod_original_sg_symbol_H-M      P21/n
_cod_original_formula_sum        'C59.50 H67.50 Br4 In2 N4'
_cod_database_code               7114371
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
In1 In 0.48745(3) 0.09279(2) 0.228841(16) 0.02243(11) Uani 1 1 d .
Br1 Br 0.42514(4) 0.02257(4) 0.30262(3) 0.03648(17) Uani 1 1 d .
N1 N 0.6528(3) 0.0151(3) 0.18124(18) 0.0215(10) Uani 1 1 d .
C1 C 0.6077(3) 0.0081(3) 0.2205(2) 0.0193(11) Uani 1 1 d .
In2 In 0.50667(3) 0.26498(2) 0.253796(16) 0.02335(11) Uani 1 1 d .
Br2 Br 0.37661(4) 0.03551(4) 0.14739(3) 0.03429(16) Uani 1 1 d .
N2 N 0.6405(3) -0.0639(3) 0.24649(18) 0.0223(10) Uani 1 1 d .
C2 C 0.7149(4) -0.0531(4) 0.1827(3) 0.0292(14) Uani 1 1 d .
H2 H 0.7542 -0.0625 0.1599 0.035 Uiso 1 1 calc R
Br3 Br 0.56001(4) 0.36842(4) 0.19000(3) 0.03323(16) Uani 1 1 d .
N3 N 0.4057(3) 0.4024(3) 0.32033(19) 0.0246(10) Uani 1 1 d .
C3 C 0.7062(4) -0.1022(4) 0.2235(2) 0.0291(14) Uani 1 1 d .
H3 H 0.7383 -0.1527 0.2345 0.035 Uiso 1 1 calc R
Br4 Br 0.63872(4) 0.26629(4) 0.33539(3) 0.03168(15) Uani 1 1 d .
N4 N 0.3092(3) 0.3428(3) 0.2580(2) 0.0279(11) Uani 1 1 d .
C4 C 0.6479(4) 0.0875(4) 0.1456(2) 0.0256(13) Uani 1 1 d .
C5 C 0.6986(4) 0.1616(4) 0.1641(2) 0.0268(13) Uani 1 1 d .
C6 C 0.6947(4) 0.2299(4) 0.1295(2) 0.0282(13) Uani 1 1 d .
H6 H 0.7288 0.2794 0.1406 0.034 Uiso 1 1 calc R
C7 C 0.6422(5) 0.2276(4) 0.0793(3) 0.0361(15) Uani 1 1 d .
C8 C 0.5944(4) 0.1511(4) 0.0619(3) 0.0343(15) Uani 1 1 d .
H8 H 0.5593 0.1483 0.0279 0.041 Uiso 1 1 calc R
C9 C 0.5985(4) 0.0793(4) 0.0945(3) 0.0309(14) Uani 1 1 d .
C10 C 0.7556(4) 0.1661(4) 0.2182(3) 0.0337(15) Uani 1 1 d .
H10A H 0.7172 0.1810 0.2421 0.050 Uiso 1 1 calc R
H10B H 0.8024 0.2092 0.2196 0.050 Uiso 1 1 calc R
H10C H 0.7838 0.1110 0.2277 0.050 Uiso 1 1 calc R
C11 C 0.6358(5) 0.3053(5) 0.0437(3) 0.0473(18) Uani 1 1 d .
H11A H 0.6289 0.3567 0.0631 0.071 Uiso 1 1 calc R
H11B H 0.5837 0.2991 0.0151 0.071 Uiso 1 1 calc R
H11C H 0.6908 0.3096 0.0302 0.071 Uiso 1 1 calc R
C12 C 0.5502(5) -0.0038(4) 0.0745(3) 0.0406(16) Uani 1 1 d .
H12A H 0.4938 0.0094 0.0502 0.061 Uiso 1 1 calc R
H12B H 0.5369 -0.0361 0.1033 0.061 Uiso 1 1 calc R
H12C H 0.5891 -0.0373 0.0571 0.061 Uiso 1 1 calc R
C13 C 0.6184(4) -0.0960(3) 0.2945(2) 0.0237(12) Uani 1 1 d .
C14 C 0.5558(4) -0.1639(4) 0.2909(2) 0.0266(13) Uani 1 1 d .
C15 C 0.5399(4) -0.1964(4) 0.3384(3) 0.0329(15) Uani 1 1 d .
H15 H 0.4996 -0.2425 0.3377 0.039 Uiso 1 1 calc R
C16 C 0.5826(5) -0.1618(4) 0.3861(3) 0.0355(15) Uani 1 1 d .
C17 C 0.6440(4) -0.0935(4) 0.3870(3) 0.0320(14) Uani 1 1 d .
H17 H 0.6727 -0.0699 0.4190 0.038 Uiso 1 1 calc R
C18 C 0.6634(4) -0.0598(4) 0.3414(2) 0.0269(13) Uani 1 1 d .
C19 C 0.5051(4) -0.1990(4) 0.2400(3) 0.0354(15) Uani 1 1 d .
H19A H 0.4753 -0.1525 0.2185 0.053 Uiso 1 1 calc R
H19B H 0.4598 -0.2397 0.2460 0.053 Uiso 1 1 calc R
H19C H 0.5475 -0.2273 0.2225 0.053 Uiso 1 1 calc R
C20 C 0.5654(6) -0.1981(5) 0.4367(3) 0.0495(19) Uani 1 1 d .
H20A H 0.5010 -0.1950 0.4366 0.074 Uiso 1 1 calc R
H20B H 0.5992 -0.1651 0.4656 0.074 Uiso 1 1 calc R
H20C H 0.5851 -0.2573 0.4402 0.074 Uiso 1 1 calc R
C21 C 0.7312(5) 0.0136(4) 0.3436(3) 0.0370(15) Uani 1 1 d .
H21A H 0.7723 0.0012 0.3207 0.056 Uiso 1 1 calc R
H21B H 0.7658 0.0201 0.3788 0.056 Uiso 1 1 calc R
H21C H 0.6985 0.0662 0.3326 0.056 Uiso 1 1 calc R
C22 C 0.3989(4) 0.3461(4) 0.2798(2) 0.0241(12) Uani 1 1 d .
C23 C 0.3190(4) 0.4334(4) 0.3230(3) 0.0320(14) Uani 1 1 d .
H23 H 0.3056 0.4727 0.3472 0.038 Uiso 1 1 calc R
C24 C 0.2590(4) 0.3966(4) 0.2844(3) 0.0327(14) Uani 1 1 d .
H24 H 0.1957 0.4049 0.2765 0.039 Uiso 1 1 calc R
C25 C 0.4863(4) 0.4362(4) 0.3563(2) 0.0259(13) Uani 1 1 d .
C26 C 0.5072(4) 0.4035(4) 0.4070(3) 0.0332(14) Uani 1 1 d .
C27 C 0.5765(5) 0.4441(4) 0.4423(3) 0.0391(16) Uani 1 1 d .
H27 H 0.5912 0.4238 0.4765 0.047 Uiso 1 1 calc R
C28 C 0.6246(4) 0.5137(4) 0.4288(3) 0.0367(16) Uani 1 1 d .
C29 C 0.6023(4) 0.5430(4) 0.3777(3) 0.0349(15) Uani 1 1 d .
H29 H 0.6347 0.5894 0.3680 0.042 Uiso 1 1 calc R
C30 C 0.5330(4) 0.5054(4) 0.3403(2) 0.0280(13) Uani 1 1 d .
C31 C 0.4565(6) 0.3265(5) 0.4227(3) 0.052(2) Uani 1 1 d .
H31A H 0.3934 0.3418 0.4210 0.078 Uiso 1 1 calc R
H31B H 0.4845 0.3097 0.4578 0.078 Uiso 1 1 calc R
H31C H 0.4594 0.2793 0.3993 0.078 Uiso 1 1 calc R
C32 C 0.6982(5) 0.5578(5) 0.4692(3) 0.054(2) Uani 1 1 d .
H32A H 0.6761 0.5666 0.5007 0.081 Uiso 1 1 calc R
H32B H 0.7130 0.6125 0.4558 0.081 Uiso 1 1 calc R
H32C H 0.7522 0.5221 0.4766 0.081 Uiso 1 1 calc R
C33 C 0.5108(5) 0.5388(4) 0.2845(3) 0.0390(16) Uani 1 1 d .
H33A H 0.5459 0.5074 0.2639 0.058 Uiso 1 1 calc R
H33B H 0.5258 0.5991 0.2843 0.058 Uiso 1 1 calc R
H33C H 0.4464 0.5311 0.2700 0.058 Uiso 1 1 calc R
C34 C 0.2660(4) 0.2921(4) 0.2133(2) 0.0259(13) Uani 1 1 d .
C35 C 0.2277(4) 0.2125(4) 0.2226(2) 0.0285(13) Uani 1 1 d .
C36 C 0.1844(4) 0.1664(4) 0.1793(3) 0.0327(14) Uani 1 1 d .
H36 H 0.1590 0.1130 0.1844 0.039 Uiso 1 1 calc R
C37 C 0.1770(4) 0.1960(4) 0.1288(3) 0.0329(14) Uani 1 1 d .
C38 C 0.2135(4) 0.2768(4) 0.1213(3) 0.0330(14) Uani 1 1 d .
H38 H 0.2081 0.2980 0.0875 0.040 Uiso 1 1 calc R
C39 C 0.2578(4) 0.3261(4) 0.1637(3) 0.0310(14) Uani 1 1 d .
C40 C 0.2333(5) 0.1793(4) 0.2774(3) 0.0370(15) Uani 1 1 d .
H40A H 0.2958 0.1823 0.2966 0.056 Uiso 1 1 calc R
H40B H 0.2126 0.1204 0.2759 0.056 Uiso 1 1 calc R
H40C H 0.1950 0.2140 0.2945 0.056 Uiso 1 1 calc R
C41 C 0.1323(5) 0.1413(5) 0.0823(3) 0.0449(17) Uani 1 1 d .
H41A H 0.1761 0.1001 0.0747 0.067 Uiso 1 1 calc R
H41B H 0.1120 0.1778 0.0524 0.067 Uiso 1 1 calc R
H41C H 0.0806 0.1112 0.0902 0.067 Uiso 1 1 calc R
C42 C 0.2947(5) 0.4155(4) 0.1550(3) 0.0386(16) Uani 1 1 d .
H42A H 0.2623 0.4583 0.1706 0.058 Uiso 1 1 calc R
H42B H 0.2860 0.4264 0.1181 0.058 Uiso 1 1 calc R
H42C H 0.3590 0.4182 0.1707 0.058 Uiso 1 1 calc R
C43 C 0.3659(8) 0.4529(6) -0.0031(4) 0.079(3) Uani 1 1 d .
H43A H 0.3940 0.4803 0.0293 0.119 Uiso 1 1 calc R
H43B H 0.3076 0.4796 -0.0170 0.119 Uiso 1 1 calc R
H43C H 0.4051 0.4591 -0.0277 0.119 Uiso 1 1 calc R
C44 C 0.3519(5) 0.3590(5) 0.0063(3) 0.0496(19) Uani 1 1 d .
C45 C 0.2938(6) 0.3098(6) -0.0299(3) 0.062(2) Uani 1 1 d .
H45 H 0.2617 0.3355 -0.0605 0.074 Uiso 1 1 calc R
C46 C 0.2818(7) 0.2224(6) -0.0217(3) 0.065(2) Uani 1 1 d .
H46 H 0.2421 0.1895 -0.0464 0.078 Uiso 1 1 calc R
C47 C 0.3295(7) 0.1856(6) 0.0234(4) 0.064(2) Uani 1 1 d .
H47 H 0.3222 0.1269 0.0290 0.077 Uiso 1 1 calc R
C48 C 0.3887(6) 0.2334(6) 0.0611(4) 0.062(2) Uani 1 1 d .
H48 H 0.4203 0.2080 0.0919 0.075 Uiso 1 1 calc R
C49 C 0.3988(5) 0.3195(6) 0.0513(3) 0.053(2) Uani 1 1 d .
H49 H 0.4386 0.3524 0.0759 0.064 Uiso 1 1 calc R
C50 C 0.6155(8) 0.2823(7) -0.1003(4) 0.093(3) Uiso 1 1 d D
C51 C 0.5936(8) 0.3650(7) -0.1181(4) 0.090(3) Uiso 1 1 d D
H51 H 0.6391 0.4053 -0.1200 0.108 Uiso 1 1 calc R
C52 C 0.4997(8) 0.3864(9) -0.1333(5) 0.117(4) Uiso 1 1 d D
H52 H 0.4838 0.4412 -0.1469 0.141 Uiso 1 1 calc R
C53 C 0.4315(8) 0.3302(7) -0.1290(4) 0.091(3) Uiso 1 1 d D
H53 H 0.3698 0.3451 -0.1390 0.109 Uiso 1 1 calc R
C54 C 0.4588(8) 0.2507(8) -0.1090(5) 0.098(4) Uiso 1 1 d D
H54 H 0.4156 0.2105 -0.1033 0.117 Uiso 1 1 calc R
C55 C 0.5486(6) 0.2314(7) -0.0977(4) 0.070(3) Uiso 1 1 d D
H55 H 0.5641 0.1751 -0.0868 0.084 Uiso 1 1 calc R
C56 C 0.7114(10) 0.2547(9) -0.0846(6) 0.119(5) Uiso 1 1 d D
H56A H 0.7184 0.2179 -0.0544 0.179 Uiso 1 1 calc R
H56B H 0.7502 0.3045 -0.0762 0.179 Uiso 1 1 calc R
H56C H 0.7286 0.2235 -0.1128 0.179 Uiso 1 1 calc R
C57 C 0.5200(11) 0.0497(10) 0.4651(6) 0.132(5) Uiso 1 1 d D
C58 C 0.4383(9) 0.0125(9) 0.4572(5) 0.104(4) Uiso 1 1 d D
C59 C 0.4089(12) -0.0419(11) 0.4877(7) 0.136(5) Uiso 1 1 d D
C60 C 0.5544(14) 0.1003(13) 0.4408(8) 0.085(6) Uiso 0.50 1 d PD
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 '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
C1 In1 Br1 104.33(14) .
C1 In1 Br2 95.90(14) .
Br1 In1 Br2 101.99(3) .
C1 In1 In2 122.67(13) .
Br1 In1 In2 105.66(2) .
Br2 In1 In2 123.39(2) .
C1 N1 C2 110.6(5) .
C1 N1 C4 126.1(4) .
C2 N1 C4 122.9(5) .
N2 C1 N1 105.5(4) .
N2 C1 In1 129.9(4) .
N1 C1 In1 124.0(4) .
C22 In2 Br3 100.79(14) .
C22 In2 Br4 102.31(15) .
Br3 In2 Br4 104.32(3) .
C22 In2 In1 124.62(14) .
Br3 In2 In1 118.95(2) .
Br4 In2 In1 103.14(2) .
C1 N2 C3 110.5(5) .
C1 N2 C13 126.7(4) .
C3 N2 C13 122.6(5) .
C3 C2 N1 105.9(5) .
C22 N3 C23 110.1(5) .
C22 N3 C25 130.5(5) .
C23 N3 C25 119.3(5) .
C2 C3 N2 107.5(5) .
C22 N4 C24 111.0(5) .
C22 N4 C34 126.8(5) .
C24 N4 C34 122.1(5) .
C9 C4 C5 122.9(5) .
C9 C4 N1 119.6(5) .
C5 C4 N1 117.5(5) .
C6 C5 C4 117.1(6) .
C6 C5 C10 121.4(5) .
C4 C5 C10 121.5(5) .
C7 C6 C5 122.5(6) .
C6 C7 C8 118.5(6) .
C6 C7 C11 120.9(6) .
C8 C7 C11 120.6(7) .
C9 C8 C7 121.2(6) .
C4 C9 C8 117.6(6) .
C4 C9 C12 121.8(6) .
C8 C9 C12 120.6(6) .
C18 C13 C14 123.7(5) .
C18 C13 N2 118.1(5) .
C14 C13 N2 118.1(5) .
C13 C14 C15 116.5(6) .
C13 C14 C19 122.7(5) .
C15 C14 C19 120.8(5) .
C16 C15 C14 121.8(6) .
C15 C16 C17 118.8(6) .
C15 C16 C20 121.1(6) .
C17 C16 C20 120.1(6) .
C18 C17 C16 121.8(6) .
C13 C18 C17 117.3(5) .
C13 C18 C21 122.1(5) .
C17 C18 C21 120.6(6) .
N4 C22 N3 105.0(5) .
N4 C22 In2 124.2(4) .
N3 C22 In2 130.7(4) .
C24 C23 N3 107.2(5) .
C23 C24 N4 106.7(5) .
C30 C25 C26 122.8(6) .
C30 C25 N3 118.7(5) .
C26 C25 N3 118.2(5) .
C27 C26 C25 117.2(6) .
C27 C26 C31 121.4(6) .
C25 C26 C31 121.4(6) .
C28 C27 C26 122.6(6) .
C27 C28 C29 118.0(6) .
C27 C28 C32 120.8(7) .
C29 C28 C32 121.1(6) .
C28 C29 C30 122.3(6) .
C25 C30 C29 117.0(6) .
C25 C30 C33 122.1(6) .
C29 C30 C33 120.9(5) .
C39 C34 C35 122.7(6) .
C39 C34 N4 119.4(5) .
C35 C34 N4 117.8(5) .
C36 C35 C34 116.8(6) .
C36 C35 C40 121.7(6) .
C34 C35 C40 121.5(6) .
C35 C36 C37 122.9(6) .
C36 C37 C38 118.5(6) .
C36 C37 C41 121.0(6) .
C38 C37 C41 120.5(6) .
C39 C38 C37 121.0(6) .
C34 C39 C38 118.1(6) .
C34 C39 C42 121.6(6) .
C38 C39 C42 120.3(6) .
C45 C44 C49 118.4(8) .
C45 C44 C43 121.1(8) .
C49 C44 C43 120.5(8) .
C44 C45 C46 121.2(8) .
C47 C46 C45 118.7(9) .
C46 C47 C48 121.8(9) .
C49 C48 C47 117.6(8) .
C48 C49 C44 122.3(8) .
C55 C50 C51 117.2(11) .
C55 C50 C56 121.8(11) .
C51 C50 C56 120.9(12) .
C50 C51 C52 117.7(12) .
C53 C52 C51 122.6(13) .
C52 C53 C54 116.3(12) .
C55 C54 C53 119.1(12) .
C50 C55 C54 126.9(11) .
C60 C57 C58 134(2) .
C60 C57 C59 101.0(18) 3_656
C58 C57 C59 125.2(14) 3_656
C59 C58 C57 127.3(15) .
C58 C59 C57 107.3(14) 3_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
In1 C1 2.267(5) .
In1 Br1 2.5535(9) .
In1 Br2 2.5597(11) .
In1 In2 2.7436(7) .
N1 C1 1.345(7) .
N1 C2 1.399(7) .
N1 C4 1.448(7) .
C1 N2 1.341(7) .
In2 C22 2.252(6) .
In2 Br3 2.5567(8) .
In2 Br4 2.5760(12) .
N2 C3 1.384(7) .
N2 C13 1.451(7) .
C2 C3 1.340(8) .
N3 C22 1.359(7) .
N3 C23 1.393(7) .
N3 C25 1.455(7) .
N4 C22 1.336(7) .
N4 C24 1.394(7) .
N4 C34 1.442(8) .
C4 C9 1.388(9) .
C4 C5 1.401(8) .
C5 C6 1.384(8) .
C5 C10 1.489(9) .
C6 C7 1.379(10) .
C7 C8 1.407(9) .
C7 C11 1.512(9) .
C8 C9 1.394(9) .
C9 C12 1.512(9) .
C13 C18 1.385(8) .
C13 C14 1.394(8) .
C14 C15 1.407(8) .
C14 C19 1.487(9) .
C15 C16 1.382(9) .
C16 C17 1.395(9) .
C16 C20 1.507(9) .
C17 C18 1.387(9) .
C18 C21 1.512(8) .
C23 C24 1.326(9) .
C25 C30 1.389(8) .
C25 C26 1.391(9) .
C26 C27 1.381(9) .
C26 C31 1.514(9) .
C27 C28 1.380(9) .
C28 C29 1.384(10) .
C28 C32 1.511(9) .
C29 C30 1.389(9) .
C30 C33 1.516(9) .
C34 C39 1.380(9) .
C34 C35 1.400(8) .
C35 C36 1.376(9) .
C35 C40 1.509(9) .
C36 C37 1.381(9) .
C37 C38 1.393(9) .
C37 C41 1.514(9) .
C38 C39 1.391(9) .
C39 C42 1.523(8) .
C43 C44 1.496(12) .
C44 C45 1.369(11) .
C44 C49 1.378(11) .
C45 C46 1.387(12) .
C46 C47 1.365(12) .
C47 C48 1.388(13) .
C48 C49 1.371(12) .
C50 C55 1.282(14) .
C50 C51 1.377(11) .
C50 C56 1.464(17) .
C51 C52 1.408(11) .
C52 C53 1.361(11) .
C53 C54 1.363(11) .
C54 C55 1.341(11) .
C57 C60 1.190(15) .
C57 C58 1.322(14) .
C57 C59 1.45(2) 3_656
C58 C59 1.297(15) .
C59 C57 1.45(2) 3_656
