Diversity in magnetic properties of 3D isomorphous networks of Co(ii) and Mn(ii) constructed by napthalene-1,4-dicarboxylate
Maji, Tapas Kumar; Kaneko, Wakako; Ohba, Masaaki; Kitagawa, Susumu; Chemical Communications  (2005) 4613–4615; doi:10.1039/b507953e

data_7111490
_publ_section_title
;
 Diversity in magnetic properties of 3D isomorphous networks of Co(ii) and
 Mn(ii) constructed by napthalene-1,4-dicarboxylate
;
_journal_issue                   36
_journal_name_full               'Chemical Communications'
_journal_page_first              4613
_journal_page_last               4615
_journal_paper_doi               10.1039/b507953e
_journal_year                    2005
_chemical_formula_moiety         'C12 H6 Mn O4 '
_chemical_formula_sum            'C12 H6 Mn O4'
_chemical_formula_weight         269.11
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Wed May 25 14:00:14 2005'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 91.82(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.892(9)
_cell_length_b                   14.99(2)
_cell_length_c                   13.37(4)
_cell_measurement_reflns_used    60
_cell_measurement_temperature    233.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     980(4)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 0.9836
_diffrn_measured_fraction_theta_max 0.9836
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8752
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.343
_exptl_absorpt_correction_T_max  0.874
_exptl_absorpt_correction_T_min  0.674
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   REQABA
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.824
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.44
_refine_diff_density_min         -0.29
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.889
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     154
_refine_ls_number_reflns         1514
_refine_ls_R_factor_gt           0.0293
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0395
_reflns_number_gt                1514
_reflns_number_total             2221
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b507953esup1.cif
_cod_data_source_block           Mn_f
_cod_original_cell_volume        980(3)
_cod_original_formula_sum        'C12 H6 Mn O4 '
_cod_database_code               7111490