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_4300218
_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 K N2 O4 Ni S10 '
_chemical_formula_sum            'C18 H26 K N2 Ni O4 S10'
_chemical_formula_weight         752.81
_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                106.86(1)
_cell_angle_beta                 97.37(2)
_cell_angle_gamma                92.28(2)
_cell_formula_units_Z            1
_cell_length_a                   8.920(3)
_cell_length_b                   10.911(2)
_cell_length_c                   8.373(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.8
_cell_volume                     770.9(3)
_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    SIR92
_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  0.020
_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            3765
_diffrn_reflns_theta_max         25.5
_diffrn_standards_decay_%        0.14
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.470
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.960
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            BLACK
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_meas      1.800
_exptl_crystal_description       NEEDLE
_exptl_crystal_size_max          1.000
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.29
_refine_ls_extinction_coef       0.0024(7)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_all   1.084
_refine_ls_number_parameters     167
_refine_ls_number_reflns         2425
_refine_ls_R_factor_obs          0.0425
_refine_ls_shift/esd_max         0.0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0461
_reflns_number_observed          3538
_reflns_number_total             3765
_cod_original_cell_volume        770.8(3)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C18 H26 K N2 O4 Ni S10 '
_cod_database_code               4300218