Nanoporous Metal Oxides with Tunable and Nanocrystalline Frameworks via Conversion of Metal-Organic Frameworks
Tae Kyung Kim; Kyung Joo Lee; Jae Yeong Cheon; Jae Hwa Lee; Sang Hoon Joo; Hoi Ri Moon; Journal of the American Chemical Society 135 (2013) 8940–8946; doi:10.1021/ja401869h

data_4119944
_publ_contact_author_address
;
Interdisciplinary School of Green Energy and KIER-UNIST 
Advanced Center for Energy,
Ulsan National Institue of Science and Technology (UNIST), 
UNIST-gil 50, Ulsan 689-798, Republic of Korea
;
_publ_contact_author_email       hoirimoon@unist.ac.kr
_publ_contact_author_fax         '(+82) 52-217-2019'
_publ_contact_author_name        'Hoi Ri Moon'
_publ_contact_author_phone       '(+82) 52-217-2928'
_publ_section_title
;
 Nanoporous Metal Oxides with Tunable and Nanocrystalline Frameworks via
 Conversion of Metal-Organic Frameworks
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8940
_journal_page_last               8946
_journal_paper_doi               10.1021/ja401869h
_journal_volume                  135
_journal_year                    2013
_chemical_formula_sum            'C56 H82 Mg8 N2 O36'
_chemical_formula_weight         1553.72
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2012-09-03T13:04:27-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 122.628(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   35.558(5)
_cell_length_b                   13.495(5)
_cell_length_c                   29.699(5)
_cell_measurement_temperature    173(2)
_cell_volume                     12002(5)
_computing_cell_refinement       'Rigaku RAPID-II'
_computing_data_collection       'Rigaku RAPID-II'
_computing_data_reduction        'Rigaku RAPID-II'
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'image plate'
_diffrn_measurement_method       'omega scans'
_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  0.1721
_diffrn_reflns_av_unetI/netI     0.1924
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            55468
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    0.107
_exptl_absorpt_correction_T_max  0.989
_exptl_absorpt_correction_T_min  0.987
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Rigaku RAPID'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.86
_exptl_crystal_description       rod
_exptl_crystal_F_000             3264
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.749
_refine_diff_density_min         -0.459
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         13626
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.949
_refine_ls_R_factor_all          0.2133
_refine_ls_R_factor_gt           0.1025
_refine_ls_shift/su_max          0.101
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1553P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2772
_refine_ls_wR_factor_ref         0.3232
_reflns_number_gt                5122
_reflns_number_total             13626
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja401869h_si_002.cif
_cod_data_source_block           Mg-aph-MOF
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4119944