Synthesis, Characterization, and Reactivity of a Novel μ-η2:η2-Diselenidodicopper(II) Complex
Jun Matsumoto; Yuji Kajita; Hideki Masuda; Inorganic Chemistry 51 (2012) 1236–1238; doi:10.1021/ic202690e

data_4328289
_publ_contact_author_address
;
Department of Frontier Materials, Nagoya Institute of Technology,
Showa-ku, Nagoya 466-8555, Japan
;
_publ_contact_author_email       masuda.hideki@nitech.ac.jp
_publ_contact_author_fax         +81-52-735-5209
_publ_contact_author_name        'Professor Hideki Masuda'
_publ_contact_author_phone       +81-52-735-5228
_publ_section_title
;
 Synthesis, Characterization, and Reactivity of a Novel
 \m-\h2:\h2-Diselenidodicopper(II) Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1236
_journal_page_last               1238
_journal_paper_doi               10.1021/ic202690e
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C54 H66 Cu2 N6 Se2, 2(C4 H9 N O), 2(F6 Sb)'
_chemical_formula_sum            'C62 H84 Cu2 F12 N8 O2 Sb2 Se2'
_chemical_formula_weight         1729.89
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                98.7432(18)
_cell_angle_beta                 91.8632(12)
_cell_angle_gamma                97.4674(17)
_cell_formula_units_Z            1
_cell_length_a                   10.7328(13)
_cell_length_b                   12.6019(16)
_cell_length_c                   13.1529(16)
_cell_measurement_reflns_used    5177
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.14
_cell_volume                     1740.9(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0204
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13800
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.494
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_description       block
_exptl_crystal_F_000             864.00
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.950
_refine_diff_density_min         -0.610
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     406
_refine_ls_number_reflns         7656
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0332P)^2^+2.0432P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0767
_reflns_number_gt                6958
_reflns_number_total             7656
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic202690e_si_002_2.cif
_cod_data_source_block           Cu_Se_Bn3TACH_SbF6_DMA
_cod_database_code               4328289