Crystal Structure and Magnetic Properties of an Octacyanometalate-Based Three-Dimensional Tungstate(V)-Manganese(II) Bimetallic Assembly
Zhuang Jin Zhong; Hidetake Seino; Yasushi Mizobe; Masanobu Hidai; Michel Verdaguer; Shin-ichi Ohkoshi; Kazuhito Hashimoto; Inorganic Chemistry 39 (2000) 5095–5101; doi:10.1021/ic0005994

data_4321518
_publ_contact_author_address
;
  Research Center for Advanced Science and Technology
  The University  of Tokyo, 4-6-1 Komaba, Meguroku
  Tokyo 153-8904, Japan
;
_publ_contact_author_email       ' kazuhito@fchem.chem.t.u-tokyo.ac.jp '
_publ_contact_author_fax         ' 81-3-5452-5083'
_publ_contact_author_name        ' Kazuhito Hashimoto'
_publ_contact_author_phone       ' 81-3-5452-5080 '
_publ_section_title
;
 Crystal Structure and Magnetic Properties of an Octacyanometalate-Based
 Three-Dimensional Tungstate(V)-Manganese(II) Bimetallic Assembly
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5095
_journal_page_last               5101
_journal_paper_doi               10.1021/ic0005994
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C8 H11.02 Mn1.5 N8 O5.51 W'
_chemical_formula_weight         573.71
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Thu Oct 28 21:06:56 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 94.832(9)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   15.438(2)
_cell_length_b                   14.691(2)
_cell_length_c                   33.046(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.9
_cell_volume                     7468.2(15)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w
_diffrn_orient_matrix_UB_11      -0.00209
_diffrn_orient_matrix_UB_12      -0.00755
_diffrn_orient_matrix_UB_13      -0.03014
_diffrn_orient_matrix_UB_21      -0.06448
_diffrn_orient_matrix_UB_22      0.00859
_diffrn_orient_matrix_UB_23      -0.00199
_diffrn_orient_matrix_UB_31      0.00802
_diffrn_orient_matrix_UB_32      0.06710
_diffrn_orient_matrix_UB_33      -0.00313
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.070
_diffrn_reflns_av_sigmaI/netI    0.081
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            17777
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         2.59
_diffrn_standards_decay_%        4.82
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.198
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.330
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4330.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_refine_diff_density_max         5.55
_refine_diff_density_min         -2.40
_refine_ls_extinction_coef       0.00054(5)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.486
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     875
_refine_ls_number_reflns         12478
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0458
_refine_ls_shift/su_max          0.1030
_refine_ls_shift/su_mean         0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00040|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0551
_refine_ls_wR_factor_ref         0.0551
_reflns_number_gt                12478
_reflns_number_total             17142
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic0005994.cif
_cod_data_source_block           manuscriptIC0005994
_cod_original_cell_volume        7468(1)
_cod_original_formula_sum        'C8 H11.02 N8 Mn1.50 O5.51 W '
_cod_database_code               4321518