Syntheses, Structures, photoelectric properties and photocatalysis of iodobismuthate hybrids with lanthanide complex cations
Zhang, Jiahua; Yang, Xiao; Ren, Taohong; Jia, Dingxian; Dalton Transactions  (2023) –; doi:10.1039/D3DT00490B

data_7712843
_publ_section_title
;
 Syntheses, Structures, photoelectric properties and photocatalysis of
 iodobismuthate hybrids with lanthanide complex cations
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT00490B
_journal_year                    2023
_chemical_formula_sum            'C24 H56 Bi2 I9 La N8 O8'
_chemical_formula_weight         2283.73
_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-02-15 deposited with the CCDC.	2023-04-19 downloaded from the CCDC.
;
_cell_angle_alpha                88.113(7)
_cell_angle_beta                 78.328(6)
_cell_angle_gamma                71.994(6)
_cell_formula_units_Z            2
_cell_length_a                   13.3790(10)
_cell_length_b                   14.8016(12)
_cell_length_c                   15.5176(17)
_cell_measurement_reflns_used    14077
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      3.0
_cell_volume                     2860.6(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0557
_diffrn_reflns_av_unetI/netI     0.0929
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22966
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_min         3.007
_exptl_absorpt_coefficient_mu    11.767
_exptl_absorpt_correction_T_max  0.1263
_exptl_absorpt_correction_T_min  0.0486
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    2.651
_exptl_crystal_description       prism
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.650
_exptl_crystal_size_mid          0.600
_exptl_crystal_size_min          0.300
_refine_diff_density_max         2.089
_refine_diff_density_min         -2.414
_refine_diff_density_rms         0.251
_refine_ls_extinction_coef       0.00322(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   0.899
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     486
_refine_ls_number_reflns         10384
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.899
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0423
_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^)+(0.0270P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0758
_refine_ls_wR_factor_ref         0.0800
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7957
_reflns_number_total             10384
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt00490b2.cif
_cod_data_source_block           shelxl
_cod_database_code               7712843
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.049
_shelx_estimated_absorpt_t_max   0.126
_shelx_res_checksum              40720