Ferrimagnetic ordering of a methylthio-substitutedplanar porphyrin based electron transfer salt, octakis(2,3,7,8,12,13,17,18-methylthio)porphyrinatomanganese(III)tetracyanoethanide
Ken-ichi Sugiura; Kantaro Ushiroda; Mitchell T. Johnson; Joel S. Miller; Yoshiteru Sakata; J. Mater. Chem. 10 (2000) 2507–2514; doi:10.1039/b006261h

data_7204023
_publ_section_title
;
 Ferrimagnetic ordering of a methylthio-substitutedplanar porphyrin
 based electron transfer salt,
 octakis(2,3,7,8,12,13,17,18-methylthio)porphyrinatomanganese(III)tetracyanoethanide
;
_journal_issue                   11
_journal_name_full               'J. Mater. Chem.'
_journal_page_first              2507
_journal_page_last               2514
_journal_paper_doi               10.1039/b006261h
_journal_volume                  10
_journal_year                    2000
_chemical_formula_sum            'C34 H28 Mn N8 S8'
_chemical_formula_weight         860.07
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                89
_cell_angle_beta                 89
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.495(2)
_cell_length_b                   9.3495(7)
_cell_length_c                   15.859(1)
_cell_measurement_temperature    198.2
_cell_volume                     3779.1(5)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 0.010000
_diffrn_measured_fraction_theta_full 0.8827
_diffrn_measured_fraction_theta_max 0.8827
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            2077
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_exptl_absorpt_coefficient_mu    0.830
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.36
_refine_diff_density_min         -0.94
_refine_ls_extinction_coef       0.0025(5)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.856
_refine_ls_number_parameters     134
_refine_ls_number_reflns         1397
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.0002
_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_ref         0.0634
_reflns_number_gt                1245
_reflns_number_total             1965
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b006261h.txt
_cod_data_source_block           OMTP-TCN
_cod_original_cell_volume        3780.2(4)
_cod_original_sg_symbol_H-M      'C 2/m 2/c 21/a'
_cod_original_formula_sum        'C34 H28 N8 Mn S8 '
_cod_database_code               7204023