Polymorphic alternating HNN-cobalt(II) chains both behaving as single-chain magnets (HNN = 4,4,5,5-tetramethylimidazolin-1-oxyl 3-oxide).
Ishii, Norio; Ishida, Takayuki; Nogami, Takashi; Inorganic chemistry 45 (2006) 3837–3839; doi:10.1021/ic052119k

data_4350147
_publ_section_title
;
 Polymorphic alternating HNN-cobalt(II) chains both behaving as
 single-chain magnets (HNN = 4,4,5,5-tetramethylimidazolin-1-oxyl
 3-oxide).
;
_journal_issue                   10
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3837
_journal_page_last               3839
_journal_paper_doi               10.1021/ic052119k
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C17 H15 Co F12 N2 O6 '
_chemical_formula_sum            'C17 H15 Co F12 N2 O6'
_chemical_formula_weight         630.23
_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
_cell_angle_beta                 102.20(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.587(5)
_cell_length_b                   11.919(4)
_cell_length_c                   19.215(9)
_cell_measurement_reflns_used    42020
_cell_measurement_temperature    90.
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.0
_cell_volume                     2369.9(18)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9988
_diffrn_measured_fraction_theta_max 0.9988
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            54440
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.855
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.799
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            darkred
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1256.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.20
_refine_diff_density_min         -0.79
_refine_ls_extinction_coef       121(16)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.894
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     359
_refine_ls_number_reflns         5433
_refine_ls_R_factor_gt           0.059
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0001Fo^2^ + 3.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.072
_reflns_number_gt                4118
_reflns_number_total             5697
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic052119ksi20051212_073355.cif
_cod_data_source_block           '_alpha-[Co(hfac)2-HNN]n'
_cod_original_cell_volume        2370(1)
_cod_original_formula_sum        'C17 H15 Co F12 N2 O6 '
_cod_database_code               4350147