Sensing and photocatalytic properties of a new 3D Co(ii) coordination polymer based on 1,1′-di(p-carboxybenzyl)-2,2′-biimidazole
Yang, Bo; New Journal of Chemistry 46 (2022) 18848–18853; doi:10.1039/D2NJ03281C

data_7061879
_publ_section_title
;
 Sensing and photocatalytic properties of a new 3D Co(ii) coordination
 polymer based on 1,1&#x2032;-di(p-carboxybenzyl)-2,2&#x2032;-biimidazole
;
_journal_issue                   39
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              18848
_journal_page_last               18853
_journal_paper_doi               10.1039/D2NJ03281C
_journal_volume                  46
_journal_year                    2022
_chemical_formula_moiety         'C22 H16 Co N4 O4, 2(H2 O)'
_chemical_formula_sum            'C22 H20 Co N4 O6'
_chemical_formula_weight         495.35
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2022-07-02 deposited with the CCDC.	2022-09-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.516(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_c                   20.171(4)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.51
_cell_measurement_theta_min      2.13
_cell_volume                     4132.1(13)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_unetI/netI     0.0174
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
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_diffrn_reflns_limit_k_max       22
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_diffrn_reflns_limit_l_max       24
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
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_exptl_absorpt_coefficient_mu    0.881
_exptl_absorpt_correction_T_max  0.783
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_description       block
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.270
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_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0585P)^2^+5.2686P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0855
_refine_ls_wR_factor_ref         0.0883
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3604
_reflns_number_total             4067
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj03281c2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7061879.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7061879
_shelx_estimated_absorpt_t_min   0.797
_shelx_estimated_absorpt_t_max   0.830
_shelxl_version_number           2014-3
_shelx_res_checksum              44527