MOF-on-MOF Membrane with Cascading Functionality for Capturing Dichromate Ions and <i>p</i>-Arsanilic Acid Turn-On Sensing.
Zhu, Ke; Fan, Ruiqing; Wu, Jingkun; Wang, Bowen; Lu, Haoyang; Zheng, Xubin; Sun, Tiancheng; Gai, Shuang; Zhou, Xuesong; Yang, Yulin; ACS applied materials & interfaces 12 (2020) 58239–58251; doi:10.1021/acsami.0c17875

data_4518329
_publ_section_title
;
 MOF-on-MOF Membrane with Cascading Functionality for Capturing Dichromate
 Ions and <i>p</i>-Arsanilic Acid Turn-On Sensing.
;
_journal_issue                   52
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              58239
_journal_page_last               58251
_journal_paper_doi               10.1021/acsami.0c17875
_journal_volume                  12
_journal_year                    2020
_chemical_formula_sum            'C64 H80 Cu4 N64 O8'
_chemical_formula_weight         2128.12
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.391(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   22.834(2)
_cell_length_b                   14.4584(12)
_cell_length_c                   6.9109(7)
_cell_measurement_temperature    173(2)
_cell_volume                     2271.5(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0489
_diffrn_reflns_av_sigmaI/netI    0.0780
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6361
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         2.82
_exptl_absorpt_coefficient_mu    1.013
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1092
_refine_diff_density_max         1.231
_refine_diff_density_min         -0.845
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.221
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     159
_refine_ls_number_reflns         2815
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.221
_refine_ls_R_factor_all          0.0999
_refine_ls_R_factor_gt           0.0695
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1879
_refine_ls_wR_factor_ref         0.2070
_reflns_number_gt                2025
_reflns_number_total             2815
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            am0c17875_si_002.cif
_cod_data_source_block           z
_cod_depositor_comments          'Adding full bibliography for 4518329.cif.'
_cod_database_code               4518329