Structure and Magnetic Properties of One-Dimensional PPh4[Ni(pn)2][M(CN)6].H2O (M = Fe, Cr, Co) Bimetallic Assemblies
Masaaki Ohba; Naoki Usuki; Nobuo Fukita; Hisashi Ōkawa; Inorganic Chemistry 37 (1998) 3349–3354; doi:10.1021/ic9704748

data_4322844
_publ_section_title
;
 Structure and Magnetic Properties of One-Dimensional
 PPh4[Ni(pn)2][M(CN)6].H2O (M = Fe, Cr, Co) Bimetallic Assemblies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3349
_journal_page_last               3354
_journal_paper_doi               10.1021/ic9704748
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C36 H42 Fe N10 Ni O P'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_audit_creation_date             'Thu Apr 24 10:13:12 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 99.96(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2.00
_cell_length_a                   12.958(3)
_cell_length_b                   8.437(3)
_cell_length_c                   17.250(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      29.71
_cell_measurement_theta_min      28.66
_cell_volume                     1857.5(8)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_diffrn_ambient_temperature      20.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.03537
_diffrn_orient_matrix_UB_12      0.10524
_diffrn_orient_matrix_UB_13      -0.00979
_diffrn_orient_matrix_UB_21      0.01348
_diffrn_orient_matrix_UB_22      0.02193
_diffrn_orient_matrix_UB_23      0.05784
_diffrn_orient_matrix_UB_31      0.06861
_diffrn_orient_matrix_UB_32      0.04994
_diffrn_orient_matrix_UB_33      -0.00478
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  1.15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            3692
_diffrn_reflns_theta_max         25.0075
_diffrn_standards_decay_%        -0.01
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 9.838
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.896
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             810.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         -1.02400
_refine_diff_density_min         1.01910
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   4.400
_refine_ls_matrix_type           full
_refine_ls_number_parameters     234
_refine_ls_number_reflns         2232
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0750
_refine_ls_shift/esd_max         1.6280
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0640
_cod_data_source_file            ic9704748_1.cif
_cod_data_source_block           Pph4[Ni(pn)2][Fe(CN)6].H2O(1)
_cod_original_cell_volume        1857.4(7)
_cod_original_sg_symbol_H-M      'P 2/c '
_cod_original_formula_sum        'C36 H42 N10 O P Fe Ni'
_cod_database_code               4322844