[Benzyldimethyl(dimethylamino)silyl-κ^2^<i>C,N</i>](<i>N,N,N,N</i>-tetramethylenediamine-κ^2^<i>N,N</i>)lithium(I)
He-Ping Shi; Dian-Sheng Liu; Shu-Ping Huang; Acta Crystallographica Section E 59 (2003) m319–m321; doi:10.1107/S1600536803008997

data_2202081
_publ_section_title
'[Benzyldimethyl(dimethylamino)silyl-\k^2^<i>C,N</i>](<i>N,N,N,N</i>-tetramethylenediamine-\k^2^<i>N,N</i>)lithium(I)'
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m319
_journal_page_last               m321
_journal_paper_doi               10.1107/S1600536803008997
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Li (C11 H18 N Si) (C6 H16 N2)]'
_chemical_formula_moiety         'C17 H34 Li N3 Si'
_chemical_formula_sum            'C17 H34 Li N3 Si'
_chemical_formula_weight         315.50
_chemical_name_systematic
;[Dimethyl(dimethylamino)silicyl]benzyl-\k^2^C,N](N,N,N,N-tetramethylenediamine-
\k^2^N,N)lithium(I)
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.533(4)
_cell_length_b                   14.753(6)
_cell_length_c                   16.241(7)
_cell_measurement_reflns_used    436
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      13.604
_cell_measurement_theta_min      2.696
_cell_volume                     2044.5(15)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'oil sealed'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1219
_diffrn_reflns_av_sigmaI/netI    0.2318
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8455
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        6
_exptl_absorpt_coefficient_mu    0.115
_exptl_absorpt_correction_T_max  0.9774
_exptl_absorpt_correction_T_min  0.9774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.025
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.240
_refine_diff_density_min         -0.237
_refine_ls_abs_structure_details '(Flack, 1983)'
_refine_ls_abs_structure_Flack   -0.3(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.834
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     215
_refine_ls_number_reflns         3588
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.834
_refine_ls_R_factor_all          0.1656
_refine_ls_R_factor_gt           0.0765
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w = 1/[\s^2^(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0817
_refine_ls_wR_factor_ref         0.1037
_reflns_number_gt                1645
_reflns_number_total             3588
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            na6222.cif
_cod_data_source_block           I
_cod_original_cell_volume        2044.6(15)
_cod_database_code               2202081
_cod_database_fobs_code          2202081