Novel Heterometallic Schiff Base Complexes Featuring Unusual Tetranuclear {CoIII2FeIII2(μ-O)6} and Octanuclear {CoIII4FeIII4(μ-O)14} Cores: Direct Synthesis, Crystal Structures, and Magnetic Properties
Eduard N. Chygorin; Oksana V. Nesterova; Julia A. Rusanova; Vladimir N. Kokozay; Volodymyr V. Bon; Roman Boča; Andrew Ozarowski; Inorganic Chemistry 51 (2012) 386–396; doi:10.1021/ic2017962

data_4327814
_publ_section_title
;
 Novel Heterometallic Schiff Base Complexes Featuring Unusual Tetranuclear
 {CoIII2FeIII2(\m-O)6} and Octanuclear {CoIII4FeIII4(\m-O)14} Cores:
 Direct Synthesis, Crystal Structures, and Magnetic Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              386
_journal_page_last               396
_journal_paper_doi               10.1021/ic2017962
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C96 H88 Br6 Co2 Fe2 N10 O16'
_chemical_formula_weight         2346.78
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.336(5)
_cell_angle_beta                 101.305(5)
_cell_angle_gamma                110.023(5)
_cell_formula_units_Z            1
_cell_length_a                   11.1610(7)
_cell_length_b                   14.8168(10)
_cell_length_c                   15.9280(11)
_cell_measurement_reflns_used    925
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      14.81
_cell_measurement_theta_min      2.86
_cell_volume                     2389.9(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1672
_diffrn_reflns_av_sigmaI/netI    0.2939
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            26954
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    3.217
_exptl_absorpt_correction_T_max  0.8821
_exptl_absorpt_correction_T_min  0.6440
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2003)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_description       stick
_exptl_crystal_F_000             1178
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.949
_refine_diff_density_min         -0.940
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.885
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     599
_refine_ls_number_reflns         8397
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.885
_refine_ls_R_factor_all          0.2435
_refine_ls_R_factor_gt           0.0869
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0662P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1521
_refine_ls_wR_factor_ref         0.1936
_reflns_number_gt                2947
_reflns_number_total             8397
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2017962_si_001.cif
_cod_data_source_block           601
_cod_database_code               4327814