A transformative route to nanoporous manganese oxides of controlled oxidation states with identical textural properties
Lee, Jae Hwa; Sa, Young Jin; Kim, Tae Kyung; Moon, Hoi Ri; Joo, Sang Hoon; J. Mater. Chem. A 2 (2014) 10435–; doi:10.1039/C4TA01272K

data_7235745
_publ_section_title
;
 A transformative route to nanoporous manganese oxides of controlled
 oxidation states with identical textural properties
;
_journal_issue                   27
_journal_name_full               'J. Mater. Chem. A'
_journal_page_first              10435
_journal_paper_doi               10.1039/C4TA01272K
_journal_volume                  2
_journal_year                    2014
_chemical_formula_moiety         'C16 H24 Mn2 N2 O10'
_chemical_formula_sum            'C16 H24 Mn2 N2 O10'
_chemical_formula_weight         514.25
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-12-23T13:22:22-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                101.69(3)
_cell_angle_beta                 102.84(3)
_cell_angle_gamma                105.70(3)
_cell_formula_units_Z            1
_cell_length_a                   6.4730(13)
_cell_length_b                   7.9700(16)
_cell_length_c                   10.577(2)
_cell_measurement_temperature    100(2)
_cell_volume                     491.7(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.88
_diffrn_measured_fraction_theta_max 0.717
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.69999
_diffrn_reflns_av_R_equivalents  0.0122
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5533
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         33.96
_diffrn_reflns_theta_min         3.42
_exptl_absorpt_coefficient_mu    1.343
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             264
_refine_diff_density_max         0.973
_refine_diff_density_min         -0.925
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         2865
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0573P)^2^+0.8047P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1079
_refine_ls_wR_factor_ref         0.1082
_reflns_number_gt                2797
_reflns_number_total             2865
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ta01272k2.cif
_cod_data_source_block           Mn-MOF
_cod_original_cell_volume        491.68(17)
_cod_database_code               7235745