Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand
Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming; CrystEngComm 23 (2021) 1497–1506; doi:10.1039/D0CE01812K

data_7242083
_publ_section_title
;
 Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii)
 coordination polymers based on a pyridinephenyl bifunctional ligand
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1497
_journal_page_last               1506
_journal_paper_doi               10.1039/D0CE01812K
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         ' C64 H42 N10 O12 Zn2, H2 O '
_chemical_formula_sum            'C64 H44 N10 O13 Zn2'
_chemical_formula_weight         1291.87
_space_group_crystal_system      orthorhombic
_space_group_IT_number           34
_space_group_name_Hall           'P 2 -2n'
_space_group_name_H-M_alt        'P n n 2'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2020-03-21 deposited with the CCDC.	2021-01-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.8693(10)
_cell_length_b                   50.702(4)
_cell_length_c                   8.3094(6)
_cell_measurement_reflns_used    9804
_cell_measurement_temperature    302(2)
_cell_measurement_theta_max      22.75
_cell_measurement_theta_min      2.86
_cell_volume                     5843.2(8)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      302(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0783
_diffrn_reflns_av_unetI/netI     0.0771
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       62
_diffrn_reflns_limit_k_min       -59
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            118867
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         2.823
_exptl_absorpt_coefficient_mu    0.897
_exptl_absorpt_correction_T_max  0.821
_exptl_absorpt_correction_T_min  0.781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_description       block
_exptl_crystal_F_000             2647
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.190
_refine_diff_density_max         1.858
_refine_diff_density_min         -0.585
_refine_diff_density_rms         0.096
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.41(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.269
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     804
_refine_ls_number_reflns         11230
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.269
_refine_ls_R_factor_all          0.1098
_refine_ls_R_factor_gt           0.0757
_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^)+(0.0540P)^2^+8.9698P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1513
_refine_ls_wR_factor_ref         0.1592
_reflns_Friedel_coverage         0.867
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                8496
_reflns_number_total             11230
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ce01812k2.cif
_cod_data_source_block           1_sqd
_cod_depositor_comments
'Adding full bibliography for 7242081--7242084.cif.'
_cod_database_code               7242083
_shelx_estimated_absorpt_t_min   0.834
_shelx_estimated_absorpt_t_max   0.848
_shelxl_version_number           2014-3
_shelx_res_checksum              34650