Synthesis, Crystal and Network Structures, and Magnetic Properties of a Hybrid Layered Compound: [K(18-cr)(2-PrOH)2][{Mn(acacen)}2{Fe(CN)6}] (18-cr = 18-Crown-6-ether, acacen =N,N'-Ethylenebis(acetylacetonylideneiminate))
Hitoshi Miyasaka; Hisashi Okawa; Akira Miyazaki; Toshiaki Enoki; Inorganic Chemistry 37 (1998) 4878–4883; doi:10.1021/ic980448p

data_4323025
_publ_section_title
;
 Synthesis, Crystal and Network Structures, and Magnetic Properties of a
 Hybrid Layered Compound: [K(18-cr)(2-PrOH)2][{Mn(acacen)}2{Fe(CN)6}]
 (18-cr = 18-Crown-6-ether, acacen
 =N,N'-Ethylenebis(acetylacetonylideneiminate))
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4878
_journal_page_last               4883
_journal_paper_doi               10.1021/ic980448p
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C42 H64 Fe K Mn2 N10 O12'
_chemical_formula_weight         1105.85
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             'Fri Nov  7 17:13:29 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 105.64(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2.00
_cell_length_a                   13.272(3)
_cell_length_b                   15.768(2)
_cell_length_c                   14.771(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      30.01
_cell_measurement_theta_min      29.86
_cell_volume                     2976.7(9)
_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)'
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      23.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  4.53
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -2
_diffrn_reflns_theta_max         27.5128
_diffrn_standards_decay_%        -0.60
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.851
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.678
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.350
_refine_diff_density_max         0.72150
_refine_diff_density_min         -0.58030
_refine_ls_extinction_coef       5.93795
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   4.050
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         5291
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0560
_refine_ls_shift/esd_max         0.2480
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0550
_reflns_number_observed          5291
_reflns_number_total             7401
_cod_data_source_file            ic980448p.cif
_cod_data_source_block           K(cr)Mn(acacen)Fe(CN)
_cod_original_sg_symbol_H-M      'P 21/a '
_cod_original_formula_sum        C42H64O12N10KMn2Fe1
_cod_database_code               4323025