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_4328288
_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         'C45 H45 Cu N3 P, F6 Sb, C H2 Cl2'
_chemical_formula_sum            'C46 H47 Cl2 Cu F6 N3 P Sb'
_chemical_formula_weight         1043.06
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   15.2724(19)
_cell_length_b                   16.107(2)
_cell_length_c                   18.664(3)
_cell_measurement_reflns_used    10636
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.06
_cell_volume                     4591.2(11)
_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 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0431
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36550
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.262
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_description       block
_exptl_crystal_F_000             2108.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.870
_refine_diff_density_min         -0.800
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  4600 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.00(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     550
_refine_ls_number_reflns         10315
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0582
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0953P)^2^+3.3276P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1675
_reflns_number_gt                8418
_reflns_number_total             10315
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic202690e_si_002_1.cif
_cod_data_source_block           Cu_PPh3_Bn3TACH_SbF6_CH2Cl2
_cod_original_cell_volume        4591.3(10)
_cod_database_code               4328288