Diversity in the ½ spin arrangement of [Ni(dmit)2]‒ anions in divalent Ca2+(crown ether) supramolecular cation salts
Akutagawa, Tomoyuki; Takamatsu, Nobuhiro; Shitagami, Kozo; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Fujita, Wataru; Awaga, Kunio; Journal of Materials Chemistry 11 (2001) 2118–; doi:10.1039/b101873f

data_7204130
_publ_section_title
;
 Diversity in the &#x00BD; spin arrangement of [Ni(dmit)2]-- anions in
 divalent Ca2+(crown ether) supramolecular cation salts
;
_journal_issue                   9
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2118
_journal_paper_doi               10.1039/b101873f
_journal_volume                  11
_journal_year                    2001
_chemical_formula_moiety         ' C28 H31 Ca N3 Ni2 O5 S20 '
_chemical_formula_sum            'C28 H31 Ca N3 Ni2 O5 S20'
_chemical_formula_weight         1288.25
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_audit_creation_date             2001-04-12
_audit_creation_method           'by CrystalStructure v1.00'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_b                   15.5975
_cell_length_c                   10.222(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.6
_cell_volume                     2486.9(11)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 1.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
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_diffrn_reflns_limit_l_min       -13
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_diffrn_standards_decay_%        0.37
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_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            black
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    noref
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
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_cod_original_cell_volume        2486.9(6)
_cod_original_sg_symbol_H-M      'P 42/m n m '
_cod_original_formula_sum        ' C28 H31 Ca N3 Ni2 O5 S20 '
_cod_database_code               7204130