Bis[2,6-bis(trimethylsilylamino)pyridine-κ<i>N</i>^1^]{[6-bis(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^](trimethylsilyl)azanido-κ<i>N</i>}lithium
Rave, Justin A.; Garcia, Diego A.; Hillesheim, Patrick C.; Guillet, Gary L.; IUCrData 1 (2016) x160338–; doi:10.1107/S2414314616003382

data_1542883
_publ_section_title
;
 Bis[2,6-bis(trimethylsilylamino)pyridine-\k<i>N</i>^1^]{[6-bis(trimethylsilylamino)pyridin-2-yl-\k<i>N</i>^1^](trimethylsilyl)azanido-\k<i>N</i>}lithium
;
_journal_coeditor_code           BH4002
_journal_issue                   3
_journal_name_full               IUCrData
_journal_page_first              x160338
_journal_paper_doi               10.1107/S2414314616003382
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          '[Li (C11 H22 N3 Si2) (C11 H23 N3 Si2)2]'
_chemical_formula_moiety         'C33 H68 Li N9 Si6'
_chemical_formula_sum            'C33 H68 Li N9 Si6'
_chemical_formula_weight         766.44
_chemical_name_systematic
Bis[2,6-bis(trimethylsilylamino)pyridine-\k<i>N</i>^1^]{[6-bis(trimethylsilylamino)pyridin-2-yl-\k<i>N</i>^1^](trimethylsilyl)azanido-\k<i>N</i>}lithium
_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   mixed
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_cell_angle_alpha                90
_cell_angle_beta                 98.744(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.077(11)
_cell_length_b                   18.798(9)
_cell_length_c                   11.169(6)
_cell_measurement_reflns_used    7935
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.8
_cell_volume                     4789(4)
_computing_cell_refinement
;
CrystalClear (Rigaku, 2009)
;
_computing_data_collection
;
CrystalClear (Rigaku, 2009)
;
_computing_data_reduction
;
CrystalClear (Rigaku, 2009)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       'profile data from \w-scans'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0980
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            41940
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.089
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.206
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.868
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>REQAB</i>; Rigaku, 1998)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.063
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.267
_exptl_crystal_size_mid          0.239
_exptl_crystal_size_min          0.211
_refine_diff_density_max         0.279
_refine_diff_density_min         -0.384
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     462
_refine_ls_number_reflns         10960
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1312
_refine_ls_R_factor_gt           0.0681
_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^)+(0.0489P)^2^+2.1629P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1345
_refine_ls_wR_factor_ref         0.1745
_reflns_number_gt                6216
_reflns_number_total             10960
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh4002sup1.cif
_cod_data_source_block           I
_cod_database_code               1542883
_cod_database_fobs_code          1542883
_shelx_estimated_absorpt_t_min   0.947
_shelx_estimated_absorpt_t_max   0.958
_shelx_hkl_checksum              14387
_shelx_res_checksum              41826