Cu(ii)/Ni(ii)‒organic frameworks constructed from the homometallic clusters by 5-(2-carboxyphenoxy)isophthalic acid and N-ligand: synthesis, structures and visible light-driven photocatalytic properties
Xu, Qi-Wei; Wang, Qiu-Shuang; Li, Shan-Shan; Li, Xia; RSC Advances 9 (2019) 16305–; doi:10.1039/C9RA01496A

data_7232828
_publ_section_title
;
 Cu(ii)/Ni(ii)--organic frameworks constructed from the homometallic
 clusters by 5-(2-carboxyphenoxy)isophthalic acid and N-ligand: synthesis,
 structures and visible light-driven photocatalytic properties
;
_journal_issue                   29
_journal_name_full               'RSC Advances'
_journal_page_first              16305
_journal_paper_doi               10.1039/C9RA01496A
_journal_volume                  9
_journal_year                    2019
_chemical_formula_sum            'C27 H22 N2 Ni2 O11'
_chemical_formula_weight         667.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-03-26 deposited with the CCDC.    2019-05-14 downloaded from the CCDC.
;
_cell_angle_alpha                72.963(2)
_cell_angle_beta                 72.622(2)
_cell_angle_gamma                67.195(2)
_cell_formula_units_Z            2
_cell_length_a                   11.1024(8)
_cell_length_b                   11.5542(9)
_cell_length_c                   12.4520(9)
_cell_measurement_reflns_used    3643
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.872
_cell_measurement_theta_min      2.887
_cell_volume                     1376.45(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0713
_diffrn_reflns_av_sigmaI/netI    0.0351
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            23992
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    1.433
_exptl_absorpt_correction_T_max  0.8732
_exptl_absorpt_correction_T_min  0.6773
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.347
_exptl_crystal_size_mid          0.313
_exptl_crystal_size_min          0.122
_refine_diff_density_max         0.670
_refine_diff_density_min         -0.453
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         4836
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0355
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0572P)^2^+1.3049P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.1016
_reflns_number_gt                4452
_reflns_number_total             4836
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9ra01496a2.cif
_cod_data_source_block           111_CCDC2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7232828