Solvothermal Synthesis of High-Performance d<sup>10</sup>-MOFs with Hydrogel Membranes @ "Turn-On" Monitoring of Formaldehyde in Solution and Vapor Phase.
Bej, Sourav; Mandal, Sukdeb; Mondal, Amita; Pal, Tapan K.; Banerjee, Priyabrata; ACS applied materials & interfaces 13 (2021) 25153–25163; doi:10.1021/acsami.1c05998

data_4518736
_publ_section_title
;
 Solvothermal Synthesis of High-Performance d<sup>10</sup>-MOFs with
 Hydrogel Membranes @ &quot;Turn-On&quot; Monitoring of Formaldehyde in
 Solution and Vapor Phase.
;
_journal_issue                   21
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              25153
_journal_page_last               25163
_journal_paper_doi               10.1021/acsami.1c05998
_journal_volume                  13
_journal_year                    2021
_chemical_formula_sum            'C32 H10 Cd3 N6 O16'
_chemical_formula_weight         1071.66
_space_group_crystal_system      monoclinic
_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
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 103.084(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   34.418(4)
_cell_length_b                   10.1790(11)
_cell_length_c                   18.202(2)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.886
_cell_measurement_theta_min      2.297
_cell_volume                     6211.4(12)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'BRUKER SMART APEX'
_diffrn_measurement_method       /w-scans
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0878
_diffrn_reflns_av_unetI/netI     0.0627
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            26029
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        22.886
_diffrn_reflns_theta_max         22.886
_diffrn_reflns_theta_min         2.297
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.066
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.146
_exptl_crystal_description       block
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_exptl_transmission_factor_max   0.7448
_exptl_transmission_factor_min   0.5767
_platon_squeeze_details
;
;
_refine_diff_density_max         4.920
_refine_diff_density_min         -2.228
_refine_diff_density_rms         0.286
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.387
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     234
_refine_ls_number_reflns         4259
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.388
_refine_ls_R_factor_all          0.1299
_refine_ls_R_factor_gt           0.1076
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3203
_refine_ls_wR_factor_ref         0.3471
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3074
_reflns_number_total             4259
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am1c05998_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 4518735--4518736.cif.'
_cod_original_cell_volume        6211.2(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4518736
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              53560
_shelx_hkl_checksum              20056