A new bismuth-based coordination polymer as an efficient visible light responding photocatalyst under white LED irradiation
Huang, Ya-Jing; Zheng, Yue-Qing; Wang, Jin-Jian; Zhou, Lin-Xia; Journal of Solid State Chemistry 246 (2017) 42–47; doi:10.1016/j.jssc.2016.10.028

data_1560631
_publ_section_title
;
 A new bismuth-based coordination polymer as an efficient visible light
 responding photocatalyst under white LED irradiation
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              42
_journal_page_last               47
_journal_paper_doi               10.1016/j.jssc.2016.10.028
_journal_volume                  246
_journal_year                    2017
_chemical_formula_moiety         'C21 H11 Bi N3 O12, C12 H11 N2, O'
_chemical_formula_sum            'C33 H22 Bi N5 O13'
_chemical_formula_weight         905.54
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                93.10(3)
_cell_angle_beta                 94.70(3)
_cell_angle_gamma                101.28(3)
_cell_formula_units_Z            2
_cell_length_a                   8.6209(17)
_cell_length_b                   9.1518(18)
_cell_length_c                   21.858(4)
_cell_measurement_reflns_used    16540
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      3.07
_cell_volume                     1681.2(6)
_computing_cell_refinement       rapid-auto
_computing_data_collection       rapid-auto(rigaku,1998)
_computing_data_reduction        crystalstructure(rigaku/msc,2004)
_computing_molecular_graphics    ortepll(Johnson,1976)
_computing_publication_material  shelxl-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'rigaku r-axis rapid'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1596
_diffrn_reflns_av_sigmaI/netI    0.1588
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16540
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         3.05
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count image
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.319
_exptl_absorpt_correction_T_max  0.272
_exptl_absorpt_correction_T_min  0.1
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ABSCOR(Higashi,1995)
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.486
_exptl_crystal_size_mid          0.382
_exptl_crystal_size_min          0.245
_refine_diff_density_max         5.844
_refine_diff_density_min         -3.057
_refine_diff_density_rms         0.247
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         7575
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0733
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0504P)^2^+5.0066P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1668
_refine_ls_wR_factor_ref         0.1717
_reflns_number_gt                6655
_reflns_number_total             7675
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2017-246-42.CIF
_cod_data_source_block           x
_cod_original_sg_symbol_Hall     '-p 1'
_cod_database_code               1560631