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_7232829
_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            'C50 H30 Cu3 N4 O14'
_chemical_formula_weight         1101.40
_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                89.393(3)
_cell_angle_beta                 85.366(2)
_cell_angle_gamma                64.932(2)
_cell_formula_units_Z            1
_cell_length_a                   10.0683(8)
_cell_length_b                   10.8967(9)
_cell_length_c                   11.0913(9)
_cell_measurement_reflns_used    7279
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.080
_cell_measurement_theta_min      3.042
_cell_volume                     1098.24(16)
_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  0.0765
_diffrn_reflns_av_sigmaI/netI    0.0496
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            19635
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    1.518
_exptl_absorpt_correction_T_max  0.8882
_exptl_absorpt_correction_T_min  0.7028
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             557
_exptl_crystal_size_max          0.268
_exptl_crystal_size_mid          0.103
_exptl_crystal_size_min          0.054
_refine_diff_density_max         0.465
_refine_diff_density_min         -0.444
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         3866
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0541P)^2^+0.4313P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.1000
_reflns_number_gt                3074
_reflns_number_total             3866
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9ra01496a2.cif
_cod_data_source_block           111_CCDC3
_cod_original_cell_volume        1098.24(15)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7232829