Ferromagnetic coupling of [Ni(dmit)2]- anions in (m-fluoroanilinium)(dicyclohexano[18]crown-6)[Ni(dmit)2].
Akutagawa, Tomoyuki; Sato, Daisuke; Ye, Qiong; Noro, Shin-ichiro; Nakamura, Takayoshi; Dalton transactions (Cambridge, England : 2003) 39 (2010) 2191–2193; doi:10.1039/b920600k

data_7024716
_publ_section_title
;
 Ferromagnetic coupling of [Ni(dmit)2]- anions in
 (m-fluoroanilinium)(dicyclohexano[18]crown-6)[Ni(dmit)2].
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2191
_journal_page_last               2193
_journal_paper_doi               10.1039/b920600k
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C32 H43 F N Ni O6 S10 '
_chemical_formula_sum            'C32 H43 F N Ni O6 S10'
_chemical_formula_weight         935.99
_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                95.4297(12)
_cell_angle_beta                 104.7569(14)
_cell_angle_gamma                104.5606(13)
_cell_formula_units_Z            2
_cell_length_a                   12.3990(6)
_cell_length_b                   12.5367(5)
_cell_length_c                   14.1216(6)
_cell_measurement_reflns_used    15871
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     2024.78(16)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2002
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19625
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_exptl_absorpt_coefficient_mu    1.042
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             974.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.62
_refine_diff_density_min         -0.71
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     503
_refine_ls_number_reflns         6969
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
1576.2800 2178.0500 642.4210
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0510
_reflns_number_gt                6931
_reflns_number_total             9072
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b920600k.txt
_cod_data_source_block           TA
_cod_original_cell_volume        2024.78(14)
_cod_original_formula_sum        'C32 H43 F N Ni O6 S10 '
_cod_database_code               7024716