One-Dimensional Antiferromagnetic Chain in [Ni(dmit)2]- Salts of [K+ or Rb+(4,13-diaza-18-crown-6)] Supramolecular Cation
Nobuhiro Takamatsu; Tomoyuki Akutagawa; Tatsuo Hasegawa; Takayoshi Nakamura; Tamotsu Inabe; Wataru Fujita; Kunio Awaga; Inorganic Chemistry 39 (2000) 870–871; doi:10.1021/ic991198v

data_4300219
_publ_contact_author_address
;
Research Institute for Electronic Science, Hokkaido University
N12W6 kita-ku, Sapporo 060-0812, Japan
;
_publ_contact_author_email       ' takuta@imd.es.hokudai.ac.jp '
_publ_contact_author_fax         ' +81-11-706-4972 '
_publ_contact_author_name        ' Tomoyuki Akutagwa'
_publ_contact_author_phone       ' +81-11-706-2884 '
_publ_section_title
;
One-Dimensional Antiferromagnetic Chain in [Ni(dmit)2]- Salts of [K+ or
Rb+(4,13-diaza-18-crown-6)] Supramolecular Cation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              870
_journal_page_last               871
_journal_paper_doi               10.1021/ic991198v
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety         'C18 H26 N2 O4 Ni Rb S10 '
_chemical_formula_sum            'C18 H26 N2 Ni O4 Rb S10'
_chemical_formula_weight         799.18
_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                107.8(1)
_cell_angle_beta                 97.53(9)
_cell_angle_gamma                91.5(1)
_cell_formula_units_Z            1
_cell_length_a                   8.815(5)
_cell_length_b                   11.04(2)
_cell_length_c                   8.51(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.2
_cell_measurement_theta_min      14.8
_cell_volume                     779.8(18)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.010
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3809
_diffrn_standards_decay_%        1.35
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.868
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            BLACK
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_meas      1.800
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.86
_refine_diff_density_min         -0.48
_refine_ls_extinction_coef       0.023(1)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   5.564
_refine_ls_number_parameters     167
_refine_ls_number_reflns         2768
_refine_ls_R_factor_gt           0.0578
_refine_ls_shift/su_max          0.0140
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0686
_reflns_number_gt                2768
_reflns_number_total             0
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_original_cell_volume        779(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C18 H26 N2 O4 Ni Rb S10 '
_cod_database_code               4300219