Amide Alcoholysis in Mononuclear Zinc and Cadmium Complexes Ligated by Thioether Sulfur and Nitrogen Donors
Lisa M. Berreau; Magdalena M. Makowska-Grzyska; Atta M. Arif; Inorganic Chemistry 39 (2000) 4390–4391; doi:10.1021/ic000547e

data_4321417
_publ_section_title
;
 Amide Alcoholysis in Mononuclear Zinc and Cadmium Complexes Ligated by
 Thioether Sulfur and Nitrogen Donors
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4390
_journal_page_last               4391
_journal_paper_doi               10.1021/ic000547e
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C19 H33 Cl2 N3 O9 S2 Zn'
_chemical_formula_weight         647.87
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           117
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 -2ab'
_symmetry_space_group_name_H-M   'P -4 b 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_audit_conform_dict_name         cif_core.dic
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_audit_creation_date             1999-08-27T10:47:27-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.9526(4)
_cell_length_b                   18.9526(4)
_cell_length_c                   15.8246(2)
_cell_measurement_temperature    200(1)
_cell_volume                     5684.21(18)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'WinGX, Ortep3'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      200(1)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Nonius KappaCCD Diffractometer'
_diffrn_measurement_method       'Phi Scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0243
_diffrn_reflns_av_sigmaI/netI    0.0356
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7961
_diffrn_reflns_theta_full        24.41
_diffrn_reflns_theta_max         24.41
_diffrn_reflns_theta_min         3.99
_exptl_absorpt_coefficient_mu    1.248
_exptl_absorpt_correction_type   SCALEPACK
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2688
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.586
_refine_diff_density_min         -0.348
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.241(17)
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_refine_ls_number_reflns         4421
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_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.041
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
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_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1056
_reflns_number_gt                4031
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