The d-L(?)-? type of charge-transfer salt [Cu(Me-tri)2][Ni(dmit)2]2: Interaction between copper(ii) d- and Ni(dmit)2 ?-electrons via�?-conjugated macrocyclic ligandsElectronic supplementary information (ESI) available: crystallographic data in cif format. See http://www.rsc.org/suppdata/cp/b2/b212555b/
Sakai, Ken-ichi; Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Physical Chemistry Chemical Physics 5 (2003) 2469–; doi:10.1039/b212555b

data_7204892
_publ_section_title
;
 The d-L(?)-? type of charge-transfer salt [Cu(Me-tri)2][Ni(dmit)2]2:
 Interaction between copper(ii) d- and Ni(dmit)2 ?-electrons
 via&#xFFFD;?-conjugated macrocyclic ligandsElectronic supplementary
 information (ESI) available: crystallographic data in cif format. See
 http://www.rsc.org/suppdata/cp/b2/b212555b/
;
_journal_issue                   11
_journal_name_full               'Physical Chemistry Chemical Physics'
_journal_page_first              2469
_journal_paper_doi               10.1039/b212555b
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'C60 H42 Cu N6 Ni2 S20'
_chemical_formula_weight         1669.18
_chemical_name_common            (Cu(Me-tri)2)(Ni(dmit)2)2
_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'
_audit_creation_date             'Wed Mar 19 12:50:56 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                94.064(2)
_cell_angle_beta                 96.445(3)
_cell_angle_gamma                61.588(2)
_cell_formula_units_Z            1
_cell_length_a                   12.7989(6)
_cell_length_b                   13.3927(7)
_cell_length_c                   11.2746(5)
_cell_measurement_reflns_used    18971
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.7
_cell_volume                     1688.74(14)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9953
_diffrn_measured_fraction_theta_max 0.9953
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.066
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            25233
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.527
_exptl_absorpt_correction_T_max  0.858
_exptl_absorpt_correction_T_min  0.559
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.90
_refine_diff_density_min         -1.11
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     403
_refine_ls_number_reflns         7701
_refine_ls_R_factor_gt           0.0613
_refine_ls_shift/su_max          0.0524
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1658
_reflns_number_gt                3351
_reflns_number_total             7701
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            cif.txt
_cod_data_source_block           sakai
_cod_original_cell_volume        1688.7(1)
_cod_original_formula_sum        'C60 H42 Cu N6 Ni2 S20 '
_cod_database_code               7204892