Magnetic properties of 1:2 mixed cobalt(II) salicylaldehyde Schiff-base complexes with pyridine ligands carrying high-spin carbenes (Scar = 2/2, 4/2, 6/2, and 8/2) in dilute frozen solutions: role of organic spin in heterospin single-molecule magnets.
Karasawa, Satoru; Nakano, Kimihiro; Yoshihara, Daisuke; Yamamoto, Noriko; Tanokashira, Jun-ichi; Yoshizaki, Takahito; Inagaki, Yuji; Koga, Noboru; Inorganic chemistry 53 (2014) 5447–5457; doi:10.1021/ic403074d

data_4350640
_publ_section_title
;
 Magnetic properties of 1:2 mixed cobalt(II) salicylaldehyde Schiff-base
 complexes with pyridine ligands carrying high-spin carbenes (Scar = 2/2,
 4/2, 6/2, and 8/2) in dilute frozen solutions: role of organic spin in
 heterospin single-molecule magnets.
;
_journal_issue                   11
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5447
_journal_page_last               5457
_journal_paper_doi               10.1021/ic403074d
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C38 H34 Co N4 O2 '
_chemical_formula_sum            'C38 H34 Co N4 O2'
_chemical_formula_weight         637.65
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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'
_cell_angle_alpha                90.0000
_cell_angle_beta                 112.584(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.253(4)
_cell_length_b                   12.060(4)
_cell_length_c                   23.477(7)
_cell_measurement_temperature    90
_cell_volume                     3203.2(18)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      90
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.875
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            16673
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         28.26
_exptl_absorpt_coefficient_mu    0.576
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1332.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.95
_refine_diff_density_min         -1.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.877
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     543
_refine_ls_number_reflns         6942
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0804P)^2^+4.5038P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1323
_reflns_number_gt                5787
_reflns_number_total             6942
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic403074d_si_003.cif
_cod_data_source_block           966174(cobalt)
_cod_original_cell_volume        3203.1(17)
_cod_original_formula_sum        'C38 H34 Co N4 O2 '
_cod_database_code               4350640