Unique spin transition and wide thermal hysteresis loop for a cobalt(ii) compound with long alkyl chain.
Hayami, Shinya; Kato, Kazuya; Komatsu, Yasuka; Fuyuhiro, Akira; Ohba, Masaaki; Dalton transactions (Cambridge, England : 2003) 40 (2011) 2167–2169; doi:10.1039/c0dt01052a

data_7014686
_publ_section_title
;
 Unique spin transition and wide thermal hysteresis loop for a
 cobalt(ii) compound with long alkyl chain.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2167
_journal_page_last               2169
_journal_paper_doi               10.1039/c0dt01052a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C56 H77 B2 Co F8 N6 O3.5'
_chemical_formula_weight         1122.80
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.713(5)
_cell_angle_beta                 92.921(8)
_cell_angle_gamma                97.42(1)
_cell_formula_units_Z            2
_cell_length_a                   8.813(4)
_cell_length_b                   16.698(10)
_cell_length_c                   19.73(1)
_cell_measurement_reflns_used    7111
_cell_measurement_temperature    180
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2830(3)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 0.8659
_diffrn_measured_fraction_theta_max 0.8659
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.054
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20579
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.379
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   0.992
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.73
_refine_diff_density_min         -0.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.194
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     703
_refine_ls_number_reflns         6004
_refine_ls_R_factor_gt           0.0750
_refine_ls_shift/su_max          0.0057
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00090|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1244
_reflns_number_gt                3996
_reflns_number_total             11247
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            C0DT01052A.TXT
_cod_data_source_block           '_CoC12-BF4-EtOH-3'
_cod_original_cell_volume        2830.1(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C56 H77 B2 Co F8 N6 O3.50 '
_cod_database_code               7014686