Vanadium(II) Heptacyanomolybdate(III)-Based Magnet Exhibiting a High Curie Temperature of 110 K
Keisuke Tomono; Yoshihide Tsunobuchi; Koji Nakabayashi; Shin-ichi Ohkoshi; Inorganic Chemistry 49 (2010) 1298–1300; doi:10.1021/ic9022079

data_4314874
_publ_contact_author_address
;
    Department of Chemistry, School of Science,
    The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku,
    Tokyo 1133-0033, Japan
;
_publ_contact_author_email       ohkoshi@chem.s.u-tokyo.ac.jp
_publ_contact_author_name        'Shin-ichi Ohkoshi'
_publ_section_title
;
 Vanadium(II) Heptacyanomolybdate(III)-Based Magnet Exhibiting a High
 Curie Temperature of 110 K
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1298
_journal_page_last               1300
_journal_paper_doi               10.1021/ic9022079
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C15 H12 Mn2 Mo N11 O2 '
_chemical_formula_sum            'C15 H12 Mn2 Mo N11 O2'
_chemical_formula_weight         584.15
_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             2009-12-30
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 95.0877(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.20778(13)
_cell_length_b                   15.7128(3)
_cell_length_c                   18.1688(3)
_cell_measurement_reflns_used    18082
_cell_measurement_temperature    90
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2049.59(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19502
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_exptl_absorpt_coefficient_mu    1.853
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.758
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            green-brown
_exptl_crystal_density_diffrn    1.893
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1148.00
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.51
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.166
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     332
_refine_ls_number_reflns         4692
_refine_ls_R_factor_gt           0.0196
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0383P)^2^+0.7730P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0631
_reflns_number_gt                4365
_reflns_number_total             4692
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic9022079_si_002.cif
_cod_data_source_block           '_Mn2pymMoCN7'
_cod_original_formula_sum        'C15 H12 Mn2 Mo N11 O2 '
_cod_database_code               4314874