One-dimensional polymeric iodoplumbate hybrids with lanthanide complex cations: syntheses, crystal structures, and photoelectric and photocatalytic properties
Chen, Niannian; Gao, Yan; Tian, Yiming; Wu, Bing; Jia, Dingxian; Zhao, Shengxian; New Journal of Chemistry 44 (2020) 19166–19173; doi:10.1039/D0NJ04549G

data_7060067
_publ_section_title
;
 One-dimensional polymeric iodoplumbate hybrids with lanthanide complex
 cations: syntheses, crystal structures, and photoelectric and
 photocatalytic properties
;
_journal_issue                   44
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              19166
_journal_page_last               19173
_journal_paper_doi               10.1039/D0NJ04549G
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C24 H56 I9 La N8 O8 Pb3'
_chemical_formula_sum            'C24 H56 I9 La N8 O8 Pb3'
_chemical_formula_weight         2487.34
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-09-11 deposited with the CCDC.	2020-10-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.67(3)
_cell_angle_gamma                90
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_cell_length_c                   17.664(4)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      3.1406
_cell_volume                     5975(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0869
_diffrn_reflns_av_unetI/netI     0.0945
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            26521
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         3.141
_exptl_absorpt_coefficient_mu    13.818
_exptl_absorpt_correction_T_max  0.2479
_exptl_absorpt_correction_T_min  0.0724
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.765
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4400
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.140
_refine_diff_density_max         1.780
_refine_diff_density_min         -1.708
_refine_diff_density_rms         0.238
_refine_ls_extinction_coef       0.00085(3)
_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   1.158
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         10838
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.176
_refine_ls_R_factor_all          0.0951
_refine_ls_R_factor_gt           0.0896
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0332P)^2^+35.2025P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1327
_refine_ls_wR_factor_ref         0.1613
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7277
_reflns_number_total             10838
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj04549g2.cif
_cod_data_source_block           30a-m14
_cod_depositor_comments
'Adding full bibliography for 7060067--7060069.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7060067
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.072
_shelx_estimated_absorpt_t_max   0.248
_shelx_res_checksum              9802