C-S Bond Formation Reaction between a Phenolate and Disulfide-Bridged Dicopper(I) Complexes
Takao Osako; Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh; Inorganic Chemistry 43 (2004) 6516–6518; doi:10.1021/ic049495+

data_4327420
_publ_section_title
;
 C-S Bond Formation Reaction between a Phenolate and Disulfide-Bridged
 Dicopper(I) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6516
_journal_page_last               6518
_journal_paper_doi               10.1021/ic049495+
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C30 H39 Cu N3 O4 S '
_chemical_formula_sum            'C30 H39 Cu N3 O4 S'
_chemical_formula_weight         601.26
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.95(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.72(1)
_cell_length_b                   13.80(1)
_cell_length_c                   19.45(2)
_cell_measurement_reflns_used    16172
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3053(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    ORTEP3
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9948
_diffrn_measured_fraction_theta_max 0.9948
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.071
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            58498
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.821
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.499
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_description       block
_exptl_crystal_F_000             1268.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.69
_refine_diff_density_min         -0.63
_refine_ls_extinction_coef       -16(51)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     392
_refine_ls_number_reflns         4368
_refine_ls_R_factor_gt           0.0480
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 0.8000\s(Fo^2^) + 0.5000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0560
_reflns_number_gt                3404
_reflns_number_total             7262
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0494952Bsi20040419_040004_1.cif
_cod_data_source_block           '_L3_complex'
_cod_original_cell_volume        3055(4)
_cod_original_formula_sum        'C30 H39 Cu N3 O4 S '
_cod_database_code               4327420