Synthesis, Structure, Spectroscopic Properties, and Photochemistry of Homo- and Heteropolynuclear Copper(I) Complexes Bridged by the 2,5-Bis(2-pyridyl)pyrazine Ligand
Taro Tsubomura; Shinya Enoto; Shinya Endo; Tsuyoshi Tamane; Kenji Matsumoto; Toshiaki Tsukuda; Inorganic Chemistry 44 (2005) 6373–6378; doi:10.1021/ic050098o

data_4309473
_publ_contact_author_address
;
    Kichijoji-Kitamachi, Musashino, Tokyo, JAPAN
;
_publ_contact_author_email       ' tsubo@ch.seikei.ac.jp'
_publ_contact_author_fax         ' +81-422-37-3871+ '
_publ_contact_author_name        'Taro Tsubomura'
_publ_contact_author_phone       ' +81-422-37-3752'
_publ_section_title
;
Synthesis, Structure, Spectroscopic Properties, and Photochemistry of Homo-
and Heteropolynuclear Copper(I) Complexes Bridged by the
2,5-Bis(2-pyridyl)pyrazine Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6373
_journal_page_last               6378
_journal_paper_doi               10.1021/ic050098o
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C86 H70 Cu2 N4 P4, 2(F6 P), 2(C H Cl3) '
_chemical_formula_sum            'C88 H72 Cl6 Cu2 F12 N4 P6'
_chemical_formula_weight         1939.2
_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             'Mon Aug 16 15:47:21 2004'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                101.98(1)
_cell_angle_beta                 103.22(1)
_cell_angle_gamma                113.90(1)
_cell_formula_units_Z            1
_cell_length_a                   13.974(2)
_cell_length_b                   13.993(2)
_cell_length_c                   13.537(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      11.8
_cell_measurement_theta_min      10.1
_cell_volume                     2217.8(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.060
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11350
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.5
_diffrn_standards_decay_%        0.84
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.840
_exptl_absorpt_correction_T_max  0.95
_exptl_absorpt_correction_T_min  0.82
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             986
_exptl_crystal_size_max          0.520
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.45
_refine_diff_density_min         -0.45
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     532
_refine_ls_number_reflns         7816
_refine_ls_R_factor_gt           0.0649
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0476P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1725
_reflns_number_gt                2996
_reflns_number_total             7816
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic050098osi20050121_123212.cif
_cod_data_source_block           (PPh3)2Cu(2_5-bppz)Cu(PPh3
_cod_original_cell_volume        2218.0(6)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C88 H72 Cl6 Cu2 F12 N4 P6 '
_cod_database_code               4309473