Bi7(3-): the missing family member, finally isolated and characterized.
Perla, Luis G.; Oliver, Allen G.; Sevov, Slavi C.; Inorganic chemistry 54 (2015) 872–875; doi:10.1021/ic502158e

data_4341307
_publ_section_title
;
 Bi7(3-): the missing family member, finally isolated and characterized.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              872
_journal_page_last               875
_journal_paper_doi               10.1021/ic502158e
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         '3(C18 H36 K N2 O3), Bi7, 2(C5 H5 N)'
_chemical_formula_sum            'C64 H118 Bi7 K3 N8 O18'
_chemical_formula_weight         2867.82
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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     vecmap
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 96.353(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.8739(13)
_cell_length_b                   24.878(2)
_cell_length_c                   26.401(2)
_cell_measurement_reflns_used    9594
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.34
_cell_measurement_theta_min      2.25
_cell_volume                     9056.5(13)
_computing_cell_refinement       'Bruker SAINT v8.34A'
_computing_data_collection       'Bruker APEX-II v2013-10.0'
_computing_data_reduction        'Bruker SAINT v8.34A'
_computing_molecular_graphics    'XP (Bruker, 2014)'
_computing_publication_material
;
CIFTAB (Sheldrick, 2013)
;
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2013)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'combination of \w and \f-scans '
_diffrn_radiation_monochromator  'Bruker TRIUMPH curved-graphite'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0698
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            235559
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.395
_diffrn_reflns_theta_min         1.128
_exptl_absorpt_coefficient_mu    13.749
_exptl_absorpt_correction_T_max  0.2429
_exptl_absorpt_correction_T_min  0.0791
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2013)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.103
_exptl_crystal_description       block
_exptl_crystal_F_000             5360
_exptl_crystal_size_max          0.282
_exptl_crystal_size_mid          0.151
_exptl_crystal_size_min          0.151
_refine_diff_density_max         2.464
_refine_diff_density_min         -1.381
_refine_diff_density_rms         0.202
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.201
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     694
_refine_ls_number_reflns         18552
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.201
_refine_ls_R_factor_all          0.0901
_refine_ls_R_factor_gt           0.0636
_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^)+(0.0349P)^2^+168.5482P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1390
_refine_ls_wR_factor_ref         0.1541
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14139
_reflns_number_total             18552
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic502158e_si_001.cif
_cod_data_source_block           p21n_a
_cod_depositor_comments          'Adding full bibliography for 4341307.cif.'
_cod_original_cell_volume        9056.5(14)
_cod_database_code               4341307
_shelxl_version_number           2014-3
_shelx_res_checksum              36546
_shelx_hkl_checksum              68676