Metastable Interwoven Mesoporous Metal-Organic Frameworks
Yabing He; Zhiyong Guo; Shengchang Xiang; Zhangjing Zhang; Wei Zhou; Frank R. Fronczek; Sean Parkin; Stephen T. Hyde; Michael O'Keeffe; Banglin Chen; Inorganic Chemistry 52 (2013) 11580–11584; doi:10.1021/ic401870e

data_4336329
_publ_section_title
;
 Metastable Interwoven Mesoporous Metal-Organic Frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11580
_journal_page_last               11584
_journal_paper_doi               10.1021/ic401870e
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C156 H84 Mn6 N0 O30'
_chemical_formula_weight         2767.87
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           222
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4a 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 n :2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.5118(18)
_cell_length_b                   33.5118(18)
_cell_length_c                   33.5118(18)
_cell_measurement_temperature    243(2)
_cell_volume                     37635(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      243(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0823
_diffrn_reflns_av_sigmaI/netI    0.0583
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            37694
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    0.223
_exptl_absorpt_correction_T_max  0.9262
_exptl_absorpt_correction_T_min  0.9065
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    0.488
_exptl_crystal_description       Block
_exptl_crystal_F_000             5640
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_platon_squeeze_details
;
;
_refine_diff_density_max         0.673
_refine_diff_density_min         -0.375
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         4527
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.1184
_refine_ls_R_factor_gt           0.0704
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0947P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1773
_refine_ls_wR_factor_ref         0.1926
_reflns_number_gt                2438
_reflns_number_total             4527
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401870e_si_003.cif
_cod_data_source_block           m
_cod_original_sg_symbol_H-M      'P n -3 n'
_cod_database_code               4336329