Dimeric diphenylzinc adducts with cyclic thioethers
Dickson, Ron S.; Fallon, Gary D.; Zhang, Qian-Qian; Journal of the Chemical Society, Dalton Transactions  (2000) 1973–; doi:10.1039/b003985n

data_7009839
_publ_section_title
;
 Dimeric diphenylzinc adducts with cyclic thioethers
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1973
_journal_paper_doi               10.1039/b003985n
_journal_year                    2000
_chemical_formula_moiety         'C32 H36 S2 Zn2'
_chemical_formula_structural     'C32 H36 S2 Zn2'
_chemical_formula_sum            'C32 H36 S2 Zn2'
_chemical_formula_weight         615.52
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.825(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.1004(2)
_cell_length_b                   17.0908(4)
_cell_length_c                   11.0020(2)
_cell_measurement_temperature    123
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      1.0
_cell_volume                     1441.67(6)
_computing_cell_refinement       Denzo-SMN
_computing_data_collection       Collect
_computing_data_reduction        Denzo-SMN
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution    'teXsan (MAC, 1992-1997)'
_diffrn_ambient_temperature      123
_diffrn_measurement_device_type  'Quantum CCD'
_diffrn_radiation_detector       'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.051
_diffrn_reflns_av_sigmaI/netI    0.100
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            23610
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         30.05
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    1.828
_exptl_absorpt_correction_T_max  0.872
_exptl_absorpt_correction_T_min  0.633
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_meas      ?
_exptl_crystal_description       tabular
_exptl_crystal_F_000             1280.00
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.76
_refine_diff_density_min         -1.14
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.020
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     163
_refine_ls_number_reflns         2821
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.0002
_refine_ls_shift/su_mean         0.0008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo)]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0429
_refine_ls_wR_factor_ref         0.0387
_reflns_number_gt                2821
_reflns_number_total             4212
_reflns_threshold_expression     I>2.50\s(I)
_cod_data_source_file            b003985n.txt
_cod_data_source_block           k4499
_cod_original_cell_volume        1441.67(5)
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_database_code               7009839