Trapping molecular bromine: a one-dimensional bromobismuthate complex with Br2 as a linker.
Adonin, S. A.; Gorokh, I. D.; Abramov, P. A.; Plyusnin, P. E.; Sokolov, M. N.; Fedin, V. P.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 3691–3693; doi:10.1039/c5dt04464b

data_7038119
_publ_section_title
;
 Trapping molecular bromine: a one-dimensional bromobismuthate complex
 with Br2 as a linker.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3691
_journal_page_last               3693
_journal_paper_doi               10.1039/c5dt04464b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_structural     (C5H5NCH3)3Bi2Br9*Br2
_chemical_formula_sum            'C18 H24 Bi2 Br11 N3'
_chemical_formula_weight         1579.37
_space_group_crystal_system      orthorhombic
_space_group_IT_number           57
_space_group_name_Hall           '-P 2c 2ac'
_space_group_name_H-M_alt        'P c a m'
_symmetry_space_group_name_Hall  '-P 2c 2ac'
_symmetry_space_group_name_H-M   'P c a m'
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_audit_update_record
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2016-01-19 deposited with the CCDC.
2016-01-22 downloaded from the CCDC.
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_cell_angle_gamma                90
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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_diffrn_detector                 'CCD plate'
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_diffrn_measured_fraction_theta_full 0.9957
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;
  1 omega  -33.00   16.00   0.5000   75.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.8209   57.0000  -60.0000 98

  2 omega   -4.00   67.00   0.5000   75.0000
omega____ theta____ kappa____ phi______ frames
    -       16.2897   38.0000 -180.0000 142

  3 omega  -65.00   63.00   0.5000   75.0000
omega____ theta____ kappa____ phi______ frames
    -       16.2897  -19.0000  -30.0000 256

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_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_orient_matrix_UB_11      -0.0272209000
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_diffrn_orient_matrix_UB_13      -0.0281235000
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_diffrn_orient_matrix_UB_22      -0.0237025000
_diffrn_orient_matrix_UB_23      -0.0130981000
_diffrn_orient_matrix_UB_31      -0.0340320000
_diffrn_orient_matrix_UB_32      -0.0400439000
_diffrn_orient_matrix_UB_33      0.0032469000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1063
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_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
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_diffrn_reflns_number            19785
_diffrn_reflns_theta_full        25.6263
_diffrn_reflns_theta_max         25.6794
_diffrn_reflns_theta_min         3.2946
_diffrn_source                   'Enhance (Mo) X-ray Source'
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_exptl_absorpt_process_details
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.858
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.170
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_refine_ls_number_reflns         3566
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_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/[\s^2^(Fo^2^)+(0.0639P)^2^+13.5676P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.1315
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_reflns_threshold_expression     >2\s(I)
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'Adding full bibliography for 7038118--7038119.cif.'
_cod_database_code               7038119
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_cell_oxdiff_angle_beta          89.986(2)
_cell_oxdiff_angle_gamma         90.040(2)
_cell_oxdiff_volume              3669.99(17)
_cell_oxdiff_measurement_reflns_used 7867
_shelx_res_checksum              13265