Di-μ-chlorido-bis({2-[(triisopropylsilyl)aminomethyl]pyridine-κ<i>N</i>}lithium(I))
Koch, Christian; Görls, Helmar; Westerhausen, Matthias; Acta Crystallographica Section E 63 (2007) m2633–m2634; doi:10.1107/S1600536807046442

data_2215791
_publ_section_title
Di-\m-chlorido-bis({2-[(triisopropylsilyl)aminomethyl]pyridine-\k<i>N</i>}lithium(I))
_journal_coeditor_code           BT2518
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2633
_journal_page_last               m2634
_journal_paper_doi               10.1107/S1600536807046442
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Li2 Cl2 (C15 H38 N2 Si)4]'
_chemical_formula_moiety         'C60 H112 Cl2 Li2 N8 Si4'
_chemical_formula_sum            'C60 H112 Cl2 Li2 N8 Si4'
_chemical_formula_weight         1142.72
_chemical_name_systematic
Di-\m-chlorido-bis({2-[(triisopropylsilyl)aminomethyl]pyridine-\kN}lithium(I))
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                113.036(10)
_cell_angle_beta                 95.653(17)
_cell_angle_gamma                102.388(12)
_cell_formula_units_Z            1
_cell_length_a                   9.6312(19)
_cell_length_b                   13.806(3)
_cell_length_c                   14.802(3)
_cell_measurement_reflns_used    10497
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      1.67
_cell_volume                     1732.3(7)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL/PC (Siemens, 1990)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.873
_diffrn_measured_fraction_theta_max 0.873
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0393
_diffrn_reflns_av_sigmaI/netI    0.0707
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10497
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    0.203
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.095
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.522
_refine_diff_density_min         -0.357
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6997
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.1369
_refine_ls_R_factor_gt           0.0764
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0735P)^2^+2.7204P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1788
_refine_ls_wR_factor_ref         0.2146
_reflns_number_gt                4247
_reflns_number_total             6997
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2518.cif
_cod_data_source_block           I
_cod_original_cell_volume        1732.2(6)
_cod_database_code               2215791
_cod_database_fobs_code          2215791