New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands as photocatalysts for dye degradation
Du, Lin; Lu, Lu; Shi, Chuncheng; Wang, Hong-Yan; Wang, Jun; Singh, Amita; Kumar, Abhinav; CrystEngComm 23 (2021) 6400–6408; doi:10.1039/D1CE00640A

data_7243439
_publ_section_title
;
 New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands
 as photocatalysts for dye degradation
;
_journal_issue                   36
_journal_name_full               CrystEngComm
_journal_page_first              6400
_journal_page_last               6408
_journal_paper_doi               10.1039/D1CE00640A
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C78 H52 Cd2 N4 O22'
_chemical_formula_weight         1622.03
_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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-01-25 deposited with the CCDC.	2021-08-04 downloaded from the CCDC.
;
_cell_angle_alpha                71.9130(10)
_cell_angle_beta                 89.2800(10)
_cell_angle_gamma                89.947(2)
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_cell_length_b                   15.2015(12)
_cell_length_c                   18.8590(14)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.1795
_cell_measurement_theta_min      2.6925
_cell_volume                     1687.7(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.945
_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  0.0296
_diffrn_reflns_av_unetI/netI     0.0865
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.945
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       18
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_diffrn_reflns_number            10362
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.945
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.609
_diffrn_reflns_theta_min         1.136
_exptl_absorpt_coefficient_mu    0.716
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_description       block
_exptl_crystal_F_000             820
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.645
_refine_diff_density_min         -0.674
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         7402
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0501
_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^)+(0.0592P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0995
_refine_ls_wR_factor_ref         0.1280
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5107
_reflns_number_total             7402
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce00640a2.cif
_cod_data_source_block           yyy
_cod_depositor_comments
'Adding full bibliography for 7243438--7243439.cif.'
_cod_database_code               7243439
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.825
_shelx_estimated_absorpt_t_max   0.894
_shelx_res_checksum              59394