Synthesis of Multinuclear Copper Complexes Bridged by Diquinolylamidinates and Their Application to Copper-Catalyzed Coupling of Terminal Alkynes and Aryl, Allyl, and Benzyl Halides
Nakane, Takayuki; Tanioka, Yuta; Tsukada, Naofumi; Organometallics 34 (2015) 1191–; doi:10.1021/om501139f

data_4085646
_publ_section_title
;
 Synthesis of Multinuclear Copper Complexes Bridged by
 Diquinolylamidinates and Their Application to Copper-Catalyzed Coupling
 of Terminal Alkynes and Aryl, Allyl, and Benzyl Halides
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1191
_journal_paper_doi               10.1021/om501139f
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C25 H26 Cu2 N4 O6'
_chemical_formula_sum            'C25 H26 Cu2 N4 O6'
_chemical_formula_weight         605.60
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.844(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   23.589(10)
_cell_length_b                   16.101(6)
_cell_length_c                   13.377(5)
_cell_measurement_reflns_used    6951
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      3.06
_cell_volume                     4973(3)
_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      293
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_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  0.0916
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19057
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.760
_exptl_absorpt_correction_T_max  0.741
_exptl_absorpt_correction_T_min  0.455
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2480.00
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.170
_refine_diff_density_max         0.980
_refine_diff_density_min         -1.340
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     323
_refine_ls_number_reflns         5547
_refine_ls_number_restraints     1
_refine_ls_R_factor_gt           0.0767
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0100P)^2^+40.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1594
_reflns_number_gt                4070
_reflns_number_total             5547
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om501139f_si_002.cif
_cod_data_source_block           complex1_Cu2(OAc)2(mu-OH)(mu-qfam)
_cod_depositor_comments
'Adding full bibliography for 4085646--4085647.cif.'
_cod_original_cell_volume        4972(4)
_cod_database_code               4085646