Visible light-assisted photocatalytic degradation of methylene blue in water by highly chemically stable Cd-coordination polymers at room temperature
Zhang, Feng-Feng; Han, You; Liang, Qian; Wu, Man; Wang, Xiao; Tang, Long; Yue, Er-Lin; Wang, Ji-Jiang; Fu, Feng; Hou, Xiang-Yang; New Journal of Chemistry 45 (2021) 19660–19665; doi:10.1039/D1NJ03958J

data_7060961
_publ_section_title
;
 Visible light-assisted photocatalytic degradation of methylene blue in
 water by highly chemically stable Cd-coordination polymers at room
 temperature
;
_journal_issue                   42
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              19660
_journal_page_last               19665
_journal_paper_doi               10.1039/D1NJ03958J
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C53 H40 Cd2 N9 O10'
_chemical_formula_weight         1187.74
_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-2018/3
_audit_update_record
;
2021-08-16 deposited with the CCDC.	2021-09-08 downloaded from the CCDC.
;
_cell_angle_alpha                74.0580(10)
_cell_angle_beta                 89.7320(10)
_cell_angle_gamma                81.7880(10)
_cell_formula_units_Z            1
_cell_length_a                   8.1834(6)
_cell_length_b                   10.3982(7)
_cell_length_c                   14.0203(10)
_cell_measurement_reflns_used    5236
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.17
_cell_measurement_theta_min      2.41
_cell_volume                     1134.63(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.791
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0077
_diffrn_reflns_av_unetI/netI     0.0150
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.791
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7582
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.791
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.969
_diffrn_reflns_theta_min         2.888
_exptl_absorpt_coefficient_mu    1.013
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Face indexing'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             597
_exptl_crystal_size_max          0.164
_exptl_crystal_size_mid          0.063
_exptl_crystal_size_min          0.057
_refine_diff_density_max         0.683
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         5711
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0241
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0600P)^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         0.0769
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5463
_reflns_number_total             5711
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1nj03958j2.cif
_cod_data_source_block           h1_pl
_cod_depositor_comments          'Adding full bibliography for 7060961.cif.'
_cod_database_code               7060961
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.783
_shelx_estimated_absorpt_t_max   0.928
_shelx_res_checksum              63483