Zinc-silylene complexes
Sebastian Schafer; Ralf Koppe; Michael T. Gamer; Peter W. Roesky; Chem.Commun. 50 (2014) 11401–; doi:10.1039/C4cc04714A

data_7115656
_publ_section_title
;
 Zinc-silylene complexes
;
_journal_name_full               Chem.Commun.
_journal_page_first              11401
_journal_paper_doi               10.1039/C4cc04714A
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C34 H56 Cl2 N4 Si2 Zn'
_chemical_formula_sum            'C34 H56 Cl2 N4 Si2 Zn'
_chemical_formula_weight         713.27
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 105.97(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.432(2)
_cell_length_b                   23.618(5)
_cell_length_c                   16.420(3)
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      24.12
_cell_measurement_theta_min      1.55
_cell_volume                     4262.3(15)
_computing_cell_refinement       'STOE X-AREA, PLATON (A.L.Spek, 2005)'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED, PLATON (A.L.Spek, 2005)'
_computing_molecular_graphics    'Diamond 3.2i'
_computing_publication_material  'Microsoft Word'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution
'SUPERFLIP, J. Appl. Cryst. (2007) 40, 786-790'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.923
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1577
_diffrn_reflns_av_unetI/netI     0.2497
_diffrn_reflns_Laue_measured_fraction_full 0.923
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            36794
_diffrn_reflns_point_group_measured_fraction_full 0.923
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         25.260
_diffrn_reflns_theta_min         1.552
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_exptl_absorpt_coefficient_mu    0.79
_exptl_absorpt_correction_T_max  0.9369
_exptl_absorpt_correction_T_min  0.8350
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED & X-SHAPE'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.112
_exptl_crystal_description       plate
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.165
_exptl_crystal_size_min          0.103
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.669
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         7732
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.669
_refine_ls_R_factor_all          0.1638
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0158P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0850
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2903
_reflns_number_total             7732
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc04714a2.cif
_cod_data_source_block           seb86-2-monoabs_sq
_cod_original_cell_volume        4262.1(16)
_cod_database_code               7115656
_shelxl_version_number           2014-3
_shelx_res_checksum              71086
_shelx_fab_checksum              4112