Two heterotrimetallic organic frameworks constructed using a functionalized Schiff base ligand: syntheses, structures and visible photocatalytic activities for the degradation of chlorophenols
Ma, Li; Du, Peng; Yang, Jin; Liu, Ying-Ying; Liu, Xiao-Li; Ma, Jian-Fang; RSC Adv. 6 (2016) 98611–; doi:10.1039/C6RA18817F

data_7226815
_publ_section_title
;
 Two heterotrimetallic organic frameworks constructed using a
 functionalized Schiff base ligand: syntheses, structures and visible
 photocatalytic activities for the degradation of chlorophenols
;
_journal_issue                   101
_journal_name_full               'RSC Adv.'
_journal_page_first              98611
_journal_paper_doi               10.1039/C6RA18817F
_journal_volume                  6
_journal_year                    2016
_chemical_formula_sum            'C48 H58 Fe N4 Na O17 Zn'
_chemical_formula_weight         1107.19
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-09-02 deposited with the CCDC.
2016-09-30 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.466(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.05(2)
_cell_length_b                   12.458(13)
_cell_length_c                   18.14(3)
_cell_measurement_reflns_used    3855
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.1700
_cell_measurement_theta_min      3.5100
_cell_volume                     5263(11)
_computing_cell_refinement
'CrysAlisPro(1.171.35.21) (Agilent Tech., 2012)'
_computing_data_collection
'CrysAlisPro(1.171.35.21) (Agilent Tech., 2012)'
_computing_data_reduction
'CrysAlisPro(1.171.35.21) (Agilent Tech., 2012)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.847
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       '\w scan'
_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  0.0625
_diffrn_reflns_av_sigmaI/netI    0.1636
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            22406
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.30
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    0.812
_exptl_absorpt_correction_T_max  0.8743
_exptl_absorpt_correction_T_min  0.8227
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2308
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.17
_platon_squeeze_details
;
;
_refine_diff_density_max         1.094
_refine_diff_density_min         -0.982
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     554
_refine_ls_number_reflns         12190
_refine_ls_number_restraints     171
_refine_ls_restrained_S_all      1.307
_refine_ls_R_factor_all          0.1900
_refine_ls_R_factor_gt           0.1000
_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^)+(0.0716P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2424
_refine_ls_wR_factor_ref         0.2714
_reflns_number_gt                4602
_reflns_number_total             12190
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c6ra18817f2.cif
_cod_data_source_block           Compound-2
_cod_original_cell_volume        5263(10)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7226815