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_4350148
_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
_cod_original_formula_units_Z            12
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.48(4)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   26.08(1)
_cell_length_b                   11.574(6)
_cell_length_c                   24.64(1)
_cell_measurement_reflns_used    40526
_cell_measurement_temperature    100.
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.7
_cell_volume                     7336(6)
_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    DirectMethod
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.9819
_diffrn_measured_fraction_theta_max 0.9819
_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  0.102
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            30984
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.829
_exptl_absorpt_correction_T_max  0.608
_exptl_absorpt_correction_T_min  0.437
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.712
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3768.00
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.80
_exptl_crystal_size_min          0.60
_refine_diff_density_max         2.11
_refine_diff_density_min         -1.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     541
_refine_ls_number_reflns         8287
_refine_ls_R_factor_gt           0.066
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0017Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.099
_reflns_number_gt                4064
_reflns_number_total             8679
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic052119ksi20051212_073418.cif
_cod_data_source_block           '_beta-[Co(hfac)2-HNN]n'
_cod_original_cell_volume        7335(6)
_cod_original_formula_sum        'C17 H15 Co F12 N2 O6 '
_cod_database_code               4350148