Novel Cu(I) Dinuclear Complexes Containing μ2-η2,η2-Type Benzoquinone Ligand
Shigeyuki Masaoka; George Akiyama; Satoshi Horike; Susumu Kitagawa; Tomohiko Ida; Kazunaka Endo; Journal of the American Chemical Society 125 (2003) 1152–1153; doi:10.1021/ja029023z

data_4113437
_publ_contact_author_email       kitagawa@sbchem.kyoto-u.ac.jp
_publ_contact_author_fax         +81-75-753-4979
_publ_contact_author_name        'Susumu Kitagawa'
_publ_contact_author_phone       +81-75-753-5652
_publ_section_title
;
 Novel Cu(I) Dinuclear Complexes Containing \m2-\h2,\h2-Type Benzoquinone
 Ligand
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1152
_journal_page_last               1153
_journal_paper_doi               10.1021/ja029023z
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C23 H21 Cu2 N2 O7 '
_chemical_formula_sum            'C23 H21 Cu2 N2 O7'
_chemical_formula_weight         564.52
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.783(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.965(5)
_cell_length_b                   7.090(2)
_cell_length_c                   26.60(2)
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2080.5(19)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.4559
_diffrn_measured_fraction_theta_max 0.4559
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            3497
_diffrn_reflns_theta_full        26.73
_diffrn_reflns_theta_max         26.73
_exptl_absorpt_coefficient_mu    2.096
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.43
_refine_diff_density_min         -0.45
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.433
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     237
_refine_ls_number_reflns         1896
_refine_ls_R_factor_gt           0.0714
_refine_ls_shift/su_max          0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0917
_reflns_number_gt                1425
_reflns_number_total             2013
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja029023z-7_s2_3.cif
_cod_data_source_block           A_TEXRAY.INF_file_is_not_p
_cod_original_cell_volume        2080(1)
_cod_original_formula_sum        'C23 H21 Cu2 N2 O7 '
_cod_database_code               4113437