Capture of [Bi4]6− and [Bi3]5− anions by [Rh(L)]+ (L = COD) cations in the closo heteroatomic clusters {Bi4[Rh(L)]4}2− and {Bi3[Rh(L)]3}2−
Liang, Zhibing; Lin, Lifang; Liang, Yuanwei; Wang, Yi; New Journal of Chemistry 47 (2023) 3993–3998; doi:10.1039/D2NJ05883A

data_7062235
_publ_section_title
;
 Capture of [Bi4]6&#x2212; and [Bi3]5&#x2212; anions by [Rh(L)]+ (L = COD)
 cations in the closo heteroatomic clusters {Bi4[Rh(L)]4}2&#x2212; and
 {Bi3[Rh(L)]3}2&#x2212;
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3993
_journal_page_last               3998
_journal_paper_doi               10.1039/D2NJ05883A
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety
'C24 H36 Bi3 Rh3, 2(C18 H36 K N2 O6), 0.5(C2 H8 N2)'
_chemical_formula_sum            'C61 H112 Bi3 K2 N5 O12 Rh3'
_chemical_formula_weight         2121.42
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXL & ZCIF'
_audit_update_record
;
2023-01-14 deposited with the CCDC.	2023-01-20 downloaded from the CCDC.
;
_cell_angle_alpha                85.315(2)
_cell_angle_beta                 77.690(2)
_cell_angle_gamma                84.060(2)
_cell_formula_units_Z            2
_cell_length_a                   10.8655(6)
_cell_length_b                   14.0066(8)
_cell_length_c                   24.6791(14)
_cell_measurement_reflns_used    101617
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      17.4
_cell_measurement_theta_min      2.4
_cell_volume                     3642.9(4)
_computing_cell_refinement       'Apex2, Saint (Bruker, 2012)'
_computing_data_collection       'Apex2 (Bruker, 2012)'
_computing_data_reduction        'Apex2, Saint'
_computing_molecular_graphics    'Olex2 (Dolomanov, 2009)'
_computing_publication_material  'Apex2, SHELXL, Platon (Spek, 2015)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015c)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015a)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD area detector'
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Pulatus 1M'
_diffrn_measurement_method       '2 \f scans'
_diffrn_measurement_specimen_support 'MiTeGen loop'
_diffrn_orient_matrix_type       standard
_diffrn_orient_matrix_UB_11      0.0278476
_diffrn_orient_matrix_UB_12      -0.0695225
_diffrn_orient_matrix_UB_13      -0.0053210
_diffrn_orient_matrix_UB_21      -0.0351813
_diffrn_orient_matrix_UB_22      -0.0158543
_diffrn_orient_matrix_UB_23      0.0402098
_diffrn_orient_matrix_UB_31      -0.0832484
_diffrn_orient_matrix_UB_32      -0.0093345
_diffrn_orient_matrix_UB_33      -0.0090235
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.41328
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            131105
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        14.357
_diffrn_reflns_theta_max         16.920
_diffrn_reflns_theta_min         1.261
_diffrn_source                   'synchrotron line at APS'
_exptl_absorpt_coefficient_mu    2.771
_exptl_absorpt_correction_T_max  0.4235
_exptl_absorpt_correction_T_min  0.3586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.934
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2062
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.504
_refine_diff_density_min         -2.009
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       0.00891(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     776
_refine_ls_number_reflns         20698
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0261
_refine_ls_R_factor_gt           0.0230
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0096P)^2^+3.9509P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0536
_refine_ls_wR_factor_ref         0.0547
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18411
_reflns_number_total             20698
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj05883a2.cif
_cod_data_source_block           GDOU02
_cod_depositor_comments
'Adding full bibliography for 7062234--7062235.cif.'
_cod_original_cell_volume        3643.0(4)
_cod_database_code               7062235
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              82459