Solvent-free synthesis of ZIF-8 from zinc acetate with the assistance of sodium hydroxide.
Ji, Peng; Tian, Renbing; Zheng, Hua; Jiang, Jin-Gang; Sun, Jinghua; Peng, Junbiao; Dalton transactions (Cambridge, England : 2003) 49 (2020) 12555–12558; doi:10.1039/d0dt02856h

data_7705246
_publ_section_title
;
 Solvent-free synthesis of ZIF-8 from zinc acetate with the assistance of
 sodium hydroxide.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12555
_journal_page_last               12558
_journal_paper_doi               10.1039/d0dt02856h
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C24 H30 N12 O4 Zn3'
_chemical_formula_weight         746.70
_space_group_IT_number           217
_space_group_name_Hall           'I -4 2 3'
_space_group_name_H-M_alt        'I -4 3 m'
_symmetry_space_group_name_H-M   'I -4 3 m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/ccy0d0b
_audit_creation_method           SHELXL-97
_audit_update_record
;
2012-01-24 deposited with the CCDC.	2020-08-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.993(2)
_cell_length_b                   16.993(2)
_cell_length_c                   16.993(2)
_cell_measurement_temperature    296(2)
_cell_volume                     4906.9(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      240(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           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_sigmaI/netI    0.0147
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8313
_diffrn_reflns_theta_full        43.94
_diffrn_reflns_theta_max         43.94
_diffrn_reflns_theta_min         3.68
_exptl_absorpt_coefficient_mu    1.984
_exptl_absorpt_correction_T_max  0.6924
_exptl_absorpt_correction_T_min  0.6924
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.011
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.556
_refine_diff_density_min         -0.260
_refine_diff_density_rms         0.148
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.07(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.393
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     40
_refine_ls_number_reflns         385
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.393
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0510
_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^)+(0.1000P)^2^+0.5000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1424
_refine_ls_wR_factor_ref         0.1431
_reflns_number_gt                380
_reflns_number_total             385
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0dt02856h2.cif
_cod_data_source_block           zif8_240k_0m
_cod_depositor_comments          'Adding full bibliography for 7705246.cif.'
_cod_original_cell_volume        4906.8(10)
_cod_original_sg_symbol_H-M      I-43m
_cod_database_code               7705246