[<i>P</i>,<i>P</i>-Di-<i>tert</i>-butyl-<i>N</i>-trimethylsilyl-<i>P</i>-(trimethylsilylamino)phosphine imidato-κ^2^<i>N</i>,<i>N</i>']bis(pyridine-κ<i>N</i>)lithium(I)
Schultz, Madeleine; Straub, Bernd; Hofmann, Peter; Acta Crystallographica Section C 58 (2002) m256–m257; doi:10.1107/S0108270102002706

data_2012666
_publ_section_title
;[<i>P</i>,<i>P</i>-Di-<i>tert</i>-butyl-<i>N</i>-trimethylsilyl-<i>P</i>-(trimethylsilylamino)phosphine
 imidato-\k^2^<i>N</i>,<i>N</i>']bis(pyridine-\k<i>N</i>)lithium(I)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m256
_journal_page_last               m257
_journal_paper_doi               10.1107/S0108270102002706
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Li (C14 H36 N2 P Si2) (C5 H5 N)2]'
_chemical_formula_moiety         'C24 H46 Li N4 P Si2'
_chemical_formula_sum            'C24 H46 Li N4 P Si2'
_chemical_formula_weight         484.74
_chemical_name_systematic
;
[P,P-Di-tert-butyl-N-trimethylsilyl-P-(trimethylsilylamino)phosphine
imidato-\k^2^N,N']bis(pyridine-\kN)lithium(I)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 92.3020(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8980(2)
_cell_length_b                   19.3848(5)
_cell_length_c                   17.5894(3)
_cell_measurement_reflns_used    3164
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      24.1
_cell_measurement_theta_min      2.10
_cell_volume                     3031.48(12)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector Query'
_diffrn_measurement_method       '\f and \w scans'
_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  0.075
_diffrn_reflns_av_sigmaI/netI    0.050
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11861
_diffrn_reflns_theta_full        24.11
_diffrn_reflns_theta_max         24.11
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        'not measured'
_exptl_absorpt_coefficient_mu    0.187
_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_correction_T_min  0.56
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.062
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle-like
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.83
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.42
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     152
_refine_ls_number_reflns         2410
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.088
_refine_ls_R_factor_gt           0.053
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0764P)^2^+1.4419P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.125
_refine_ls_wR_factor_ref         0.144
_reflns_number_gt                1674
_reflns_number_total             2410
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tr1011.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2012666
_cod_database_fobs_code          2012666