Taking bismuthinite to bismuth sulfide nanorods in two easy steps.
Senevirathna, Dimuthu C.; Blair, Victoria L.; Werrett, Melissa V.; Andrews, Philip C.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 4998–5000; doi:10.1039/c6dt00157b

data_7038304
_publ_section_title
;
 Taking bismuthinite to bismuth sulfide nanorods in two easy steps.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4998
_journal_page_last               5000
_journal_paper_doi               10.1039/c6dt00157b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C24 H21 Bi S6'
_chemical_formula_sum            'C24 H21 Bi S6'
_chemical_formula_weight         710.75
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
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_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-11-11 deposited with the CCDC.
2016-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 120.1180(10)
_cell_angle_gamma                90.00
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_cell_length_b                   6.31520(10)
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_cell_measurement_temperature    123(2)
_cell_volume                     5068.59(19)
_computing_cell_refinement       'Bruker SAINT'
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_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    XSEED
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0540
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_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -47
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_diffrn_reflns_limit_k_min       -8
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_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            36882
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         29.62
_diffrn_reflns_theta_min         2.73
_exptl_absorpt_coefficient_mu    7.463
_exptl_absorpt_correction_T_max  0.7459
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.863
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2752
_exptl_crystal_size_max          0.40
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_refine_diff_density_max         0.746
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_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         7103
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0281
_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/[\s^2^(Fo^2^)+(0.0150P)^2^+4.5175P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0484
_refine_ls_wR_factor_ref         0.0521
_reflns_number_gt                5754
_reflns_number_total             7103
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt00157b2.cif
_cod_data_source_block           vb201ds
_cod_depositor_comments          'Adding full bibliography for 7038304.cif.'
_cod_original_cell_volume        5068.58(18)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7038304