Construction of Pillared-Layer MOF as Efficient Visible-Light Photocatalysts for Aqueous Cr(VI) Reduction and Dye Degradation
Zhao, Hongmei; Xia, Qiansu; Xing, Hongzhu; Chen, Dashu; Wang, Hong; ACS Sustainable Chemistry & Engineering 5 (2017) 4449–; doi:10.1021/acssuschemeng.7b00641

data_4517010
_publ_section_title
;
 Construction of Pillared-Layer MOF as Efficient Visible-Light
 Photocatalysts for Aqueous Cr(VI) Reduction and Dye Degradation
;
_journal_issue                   5
_journal_name_full               'ACS Sustainable Chemistry &amp; Engineering'
_journal_page_first              4449
_journal_paper_doi               10.1021/acssuschemeng.7b00641
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C28 H16 N O4 Zn'
_chemical_formula_weight         495.81
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 91.0870(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8228(4)
_cell_length_b                   19.9800(10)
_cell_length_c                   17.1179(7)
_cell_measurement_reflns_used    2064
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.02
_cell_measurement_theta_min      1.98
_cell_volume                     2675.0(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_unetI/netI     0.0229
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            29801
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        23.251
_diffrn_reflns_theta_max         23.251
_diffrn_reflns_theta_min         2.361
_exptl_absorpt_coefficient_mu    0.948
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_description       plate
_exptl_crystal_F_000             1012
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.200
_refine_diff_density_min         -0.255
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         3831
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0234P)^2^+2.9174P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0762
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2962
_reflns_number_total             3839
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            sc7b00641_si_002.cif
_cod_data_source_block           NNU36
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4517010
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              27425
_shelx_hkl_checksum              93550
_shelx_fab_checksum              80500