Ionic-caged heterometallic bismuth-platinum complex exhibiting electrocatalytic CO<sub>2</sub> reduction.
Yoshida, Takefumi; Ahsan, Habib Md; Zhang, Hai-Tao; Izuogu, David Chukwuma; Abe, Hitoshi; Ohtsu, Hiroyoshi; Yamaguchi, Tadashi; Breedlove, Brian K.; Thom, Alex J. W.; Yamashita, Masahiro; Dalton transactions (Cambridge, England : 2003) 49 (2020) 2652–2660; doi:10.1039/c9dt04817k

data_7703475
_publ_section_title
;
 Ionic-caged heterometallic bismuth-platinum complex exhibiting
 electrocatalytic CO<sub>2</sub> reduction.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2652
_journal_page_last               2660
_journal_paper_doi               10.1039/c9dt04817k
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C10 H15 Bi O5 Pt S5'
_chemical_formula_weight         779.59
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     intrinsic
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2018-01-05 deposited with the CCDC.	2020-02-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.943(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.532(3)
_cell_length_b                   11.125(3)
_cell_length_c                   17.118(4)
_cell_measurement_reflns_used    3591
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      54.73
_cell_measurement_theta_min      4.883
_cell_volume                     1954.7(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0968
_diffrn_reflns_av_unetI/netI     0.0851
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10091
_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         26.367
_diffrn_reflns_theta_min         2.084
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Bruker Smart APEX-II'
_exptl_absorpt_coefficient_mu    16.686
_exptl_absorpt_correction_T_max  0.4500
_exptl_absorpt_correction_T_min  0.1610
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
XPREP; Bruker AXS 2013
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.649
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1424
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Toluene'
_exptl_crystal_size_max          0.172
_exptl_crystal_size_mid          0.111
_exptl_crystal_size_min          0.057
_exptl_transmission_factor_max   0.4500
_exptl_transmission_factor_min   0.1610
_refine_diff_density_max         3.352
_refine_diff_density_min         -2.461
_refine_diff_density_rms         0.291
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         3983
_refine_ls_number_restraints     74
_refine_ls_restrained_S_all      0.951
_refine_ls_R_factor_all          0.0585
_refine_ls_R_factor_gt           0.0413
_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^)+(0.0453P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0956
_refine_ls_wR_factor_ref         0.1013
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3025
_reflns_number_total             3983
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt04817k2.cif
_cod_data_source_block           11_a
_cod_depositor_comments          'Adding full bibliography for 7703475.cif.'
_cod_original_cell_volume        1954.8(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7703475
_shelxl_version_number           2013-4
_shelx_res_checksum              64428