Magnetism of [Ni(dmit)2] Salts with [Meso- and (1S, 2S)-Diphenyl-1,2-Ethanediammonium]([18]crown-6)2 Supramolecular Cations
Tomoyuki Akutagawa; Kazumasa Matsuura; Asako Hashimoto; Takayoshi Nakamura; Inorganic Chemistry 44 (2005) 4454–4456; doi:10.1021/ic050241d

data_4309114
_publ_section_title
;
Magnetism of [Ni(dmit)2] Salts with [Meso- and (1S,
2S)-Diphenyl-1,2-Ethanediammonium]([18]crown-6)2 Supramolecular Cations
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4454
_journal_page_last               4456
_journal_paper_doi               10.1021/ic050241d
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C25 H33 N O6 Ni S10 '
_chemical_formula_sum            'C25 H33 N Ni O6 S10'
_chemical_formula_weight         822.84
_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                111.542(3)
_cell_angle_beta                 94.241(5)
_cell_angle_gamma                103.080(4)
_cell_formula_units_Z            2
_cell_length_a                   12.058(2)
_cell_length_b                   12.234(2)
_cell_length_c                   13.187(2)
_cell_measurement_reflns_used    12713
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.8
_cell_volume                     1735.8(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9463
_diffrn_measured_fraction_theta_max 0.9463
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7527
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.200
_exptl_absorpt_correction_T_max  0.835
_exptl_absorpt_correction_T_min  0.835
_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    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             852.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.00
_refine_diff_density_min         -0.79
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     424
_refine_ls_number_reflns         5962
_refine_ls_R_factor_gt           0.0500
_refine_ls_shift/su_max          0.0060
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    8343.2900    11713.6000    3723.5800
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0840
_reflns_number_gt                5962
_reflns_number_total             7527
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic050241dsi20050216_021817.cif
_cod_data_source_block           '_asa'
_cod_original_cell_volume        1735.8(4)
_cod_original_formula_sum        'C25 H33 N O6 Ni S10 '
_cod_database_code               4309114