Incorporation of nitrate ions into halobismuthates
Pandey, Souvik; Pradeep, Prajisha; Venugopal M, Anjali; Aswanth, A.A.; Andrews, Alex P.; Venugopal, Ajay; Inorganica Chimica Acta 511 (2020) 119754–; doi:10.1016/j.ica.2020.119754

data_1564155
_publ_section_title
;
 Incorporation of nitrate ions into halobismuthates
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119754
_journal_paper_doi               10.1016/j.ica.2020.119754
_journal_volume                  511
_journal_year                    2020
_chemical_formula_moiety         'Bi2 Br10, 4(C6 H9 N2)'
_chemical_formula_sum            'C24 H36 Bi2 Br10 N8'
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_cell_length_b                   11.2082(4)
_cell_length_c                   11.2833(4)
_cell_measurement_reflns_used    7523
_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      2.43
_cell_volume                     1035.39(6)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measurement_device_type  'Bruker KAPPA APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_unetI/netI     0.0302
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_refine_ls_extinction_coef       0.00578(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_matrix_type           full
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0160P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_max     .
_reflns_number_gt                3499
_reflns_number_total             4060
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_cod_data_source_file            ICA-2020-511-119754.cif
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_shelx_estimated_absorpt_t_min   0.093
_shelx_estimated_absorpt_t_max   0.171
_shelxl_version_number           2014-3
_shelx_res_checksum              65746
_shelx_hkl_checksum              21162