Synthesis and Structural Characterization of Di- and Tetranuclear Zinc Complexes with Phenolate and Carboxylate Bridges. Correlations between 13C NMR Chemical Shifts and Carboxylate Binding Modes
Bao-Hui Ye; Xiao-Yuan Li; Ian D. Williams; Xiao-Ming Chen; Inorganic Chemistry 41 (2002) 6426–6431; doi:10.1021/ic025806+

data_4327545
_publ_contact_author
;
      Ye, Bao-Hui
      School of Chemistry and Chemical Engineering
      Sun Yat-Sen University 
      Guangzhou, 510275
      P. R. China
;
_publ_contact_author_email       cesybh@zsu.edu.cn
_publ_contact_author_fax         '86 20 84112245'
_publ_contact_author_phone       86-20-84113986
_publ_section_title
;
 Synthesis and Structural Characterization of Di- and Tetranuclear Zinc
 Complexes with Phenolate and Carboxylate Bridges. Correlations between
 13C NMR Chemical Shifts and Carboxylate Binding Modes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6426
_journal_page_last               6431
_journal_paper_doi               10.1021/ic025806+
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C29 H33 Cl N4 O9 Zn2 '
_chemical_formula_sum            'C29 H33 Cl N4 O9 Zn2'
_chemical_formula_weight         747.81
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_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
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_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                114.67(1)
_cell_angle_beta                 106.38(2)
_cell_angle_gamma                100.43(1)
_cell_formula_units_Z            2
_cell_length_a                   10.744(1)
_cell_length_b                   13.038(1)
_cell_length_c                   13.901(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.0
_cell_measurement_theta_max      12.0
_cell_measurement_theta_min      7.0
_cell_volume                     1594.9(5)
_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
_diffrn_ambient_temperature      298.0
_diffrn_measurement_device       unknown
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
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_diffrn_reflns_limit_h_max       11
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_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 150
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.646
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_description       block
_exptl_crystal_F_000             768.00
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.27
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_restraints     0
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_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
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_reflns_number_observed          3127
_reflns_number_total             4153
_cod_data_source_file            ic0258062B_s1_3.cif
_cod_data_source_block           complex_2
_cod_original_cell_volume        1594.8(5)
_cod_original_formula_sum        'C29 H33 Cl N4 O9 Zn2 '
_cod_database_code               4327545