Novel Aggregation Motif ofgem-Dilithiosilanes: Coaggregation of Two R2SiLi2Molecules with Two RLi Molecules
Bravo-Zhivotovskii, Dmitry; Molev, Gregory; Kravchenko, Victoria; Botoshansky, Mark; Schmidt, Asher; Apeloig, Yitzhak; Organometallics 25 (2006) 4719–; doi:10.1021/om060469o

data_4074216
_publ_section_title
;
 Novel Aggregation Motif ofgem-Dilithiosilanes:&#x00A0; Coaggregation of
 Two R2SiLi2Molecules with Two RLi Molecules
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4719
_journal_paper_doi               10.1021/om060469o
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C24 H57 Li3 Si4'
_chemical_formula_weight         478.88
_chemical_name_common            Dimitry-80new
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 105.34(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.820(2)
_cell_length_b                   22.377(4)
_cell_length_c                   12.775(3)
_cell_measurement_reflns_used    19610
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.82
_cell_volume                     3258.6(12)
_computing_cell_refinement       'DENZO SMN (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius, 2001)'
_computing_data_reduction        'DENZO SMN (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'TEXSAN  (MSC, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       phi-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1720
_diffrn_reflns_av_sigmaI/netI    0.1721
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18916
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.82
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.191
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    0.976
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.859
_refine_diff_density_min         -0.464
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5723
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.2247
_refine_ls_R_factor_gt           0.1270
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1931P)^2^+0.1007P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3127
_refine_ls_wR_factor_ref         0.3594
_reflns_number_gt                2850
_reflns_number_total             5723
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060469osi20060713_041504.cif
_cod_data_source_block           Dimitry80
_cod_original_cell_volume        3258.6(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4074216