Coordination Complexes of Zinc with Reactive ESiMe3(E = S, Se, Te) Ligands
DeGroot, Marty W.; Corrigan, John F.; Organometallics 24 (2005) 3378–; doi:10.1021/om050088v

data_4075814
_publ_section_title
;
 Coordination Complexes of Zinc with Reactive ESiMe3(E = S, Se, Te)
 Ligands
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3378
_journal_paper_doi               10.1021/om050088v
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C12 H34 N2 Si2 Te2 Zn'
_chemical_formula_weight         583.16
_chemical_melting_point          283
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.9600(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.2987(2)
_cell_length_b                   14.8275(3)
_cell_length_c                   20.5498(4)
_cell_measurement_temperature    200(2)
_cell_volume                     2361.31(9)
_computing_cell_refinement       'Nonius Denzo'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Nonius Denzo'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi scans plus omega to complete'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_sigmaI/netI    0.0582
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            9608
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.63
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.557
_exptl_absorpt_correction_T_max  0.3865
_exptl_absorpt_correction_T_min  0.3303
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1128
_exptl_crystal_recrystallization_method '8:1 hexanes:CH2Cl2 at -78 deg C '
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.33
_refine_diff_density_max         0.599
_refine_diff_density_min         -0.650
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         5405
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0193P)^2^+1.4772P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0606
_refine_ls_wR_factor_ref         0.0691
_reflns_number_gt                3703
_reflns_number_total             5405
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050088vsi20050208_074614.cif
_cod_data_source_block           complex3a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4075814