Synthesis, Emission, and Electrochemical Properties of Luminescent Dinuclear Zinc(II) Chalcogenolate Complexes. Dynamic 1H NMR Studies and X-ray Crystal Structure of [(bpy)Zn2(SC6H4-Cl-p)(μ-SC6H4-Cl-p)(μ-OAc)2]
Vivian Wing-Wah Yam; Yung-Lin Pui; Kung-Kai Cheung; Inorganic Chemistry 39 (2000) 5741–5746; doi:10.1021/ic000688g

data_4321670
_publ_section_title
;
 Synthesis, Emission, and Electrochemical Properties of Luminescent
 Dinuclear Zinc(II) Chalcogenolate Complexes. Dynamic 1H NMR Studies and
 X-ray Crystal Structure of [(bpy)Zn2(SC6H4-Cl-p)(\m-SC6H4-Cl-p)(\m-OAc)2]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5741
_journal_page_last               5746
_journal_paper_doi               10.1021/ic000688g
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety         'C26 H22 Cl2 N2 O4 S2 Zn2 '
_chemical_formula_sum            'C26 H22 Cl2 N2 O4 S2 Zn2'
_chemical_formula_weight         692.26
_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 30 13:57:23 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                105.46(1)
_cell_angle_beta                 93.23(1)
_cell_angle_gamma                97.25(1)
_cell_formula_units_Z            2
_cell_length_a                   7.997(1)
_cell_length_b                   10.297(2)
_cell_length_c                   18.550(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    301.2
_cell_measurement_theta_max      34.2
_cell_measurement_theta_min      29.3
_cell_volume                     1454.0(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      301.2
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      -0.00853
_diffrn_orient_matrix_UB_12      -0.01924
_diffrn_orient_matrix_UB_13      -0.05595
_diffrn_orient_matrix_UB_21      -0.11436
_diffrn_orient_matrix_UB_22      -0.05448
_diffrn_orient_matrix_UB_23      -0.00345
_diffrn_orient_matrix_UB_31      -0.05368
_diffrn_orient_matrix_UB_32      0.08389
_diffrn_orient_matrix_UB_33      0.00377
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  1.63
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            5459
_diffrn_reflns_theta_max         25.01
_diffrn_standards_decay_%        -1.25
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.011
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.625
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       plate
_exptl_crystal_F_000             700.00
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.43
_refine_diff_density_min         -0.32
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.683
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         3635
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0326
_refine_ls_shift/esd_max         0.0540
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0463
_reflns_number_observed          3635
_reflns_number_total             5144
_reflns_observed_criterion       3.00
_cod_data_source_file            ic000688g.cif
_cod_data_source_block           afc849_Yam_C26H22N2O4S2Cl2Zn2_April081999
_cod_original_cell_volume        1454.0(9)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C26 H22 Cl2 N2 O4 S2 Zn2 '
_cod_database_code               4321670