Structures and photocatalytic properties of two new Zn(ii) coordination polymers based on semi-rigid V-shaped multicarboxylate ligands
Zhou, Shan-He; Wang, Jun; Liu, Yi-Wei; Zhong, Yuyu; Sun, Yan-Chun; Xie, Bin; Ma, Aiqing; Singh, Amita; Muddassir, Mohd.; Kumar, Abhinav; RSC Advances 10 (2020) 18721–18727; doi:10.1039/D0RA02222E

data_7240555
_publ_section_title
;
 Structures and photocatalytic properties of two new Zn(ii) coordination
 polymers based on semi-rigid V-shaped multicarboxylate ligands
;
_journal_issue                   32
_journal_name_full               'RSC Advances'
_journal_page_first              18721
_journal_page_last               18727
_journal_paper_doi               10.1039/D0RA02222E
_journal_volume                  10
_journal_year                    2020
_chemical_formula_moiety         'C25 H18 N2 O8 Zn'
_chemical_formula_sum            'C25 H18 N2 O8 Zn'
_chemical_formula_weight         539.80
_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
;
2020-02-03 deposited with the CCDC.	2020-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                111.943(2)
_cell_angle_beta                 102.760(2)
_cell_angle_gamma                106.552(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9215(14)
_cell_length_b                   11.0863(16)
_cell_length_c                   12.2729(17)
_cell_measurement_reflns_used    3197
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.6448
_cell_measurement_theta_min      2.3032
_cell_volume                     1116.0(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.941
_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  0.0157
_diffrn_reflns_av_unetI/netI     0.0338
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_limit_h_max       11
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_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.736
_diffrn_reflns_theta_min         2.439
_exptl_absorpt_coefficient_mu    1.157
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_description       block
_exptl_crystal_F_000             552
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_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.318
_refine_diff_density_min         -0.370
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
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_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0417
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0477P)^2^+0.2011P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0866
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4233
_reflns_number_total             5246
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ra02222e2.cif
_cod_data_source_block           yyy
_cod_depositor_comments
'Adding full bibliography for 7240555--7240556.cif.'
_cod_database_code               7240555
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.738
_shelx_estimated_absorpt_t_max   0.836
_shelx_res_checksum              90350