(Diethyl ether-<i>O</i>)[<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-(trimethylsilyl)amido-<i>N</i>](pyridine-<i>N</i>)lithium
Blake, A. J.; Mountford, P.; Nikonov, G. I.; Acta Crystallographica Section C 52 (1996) 1911–1913; doi:10.1107/S010827019600409X

data_2005206
_publ_section_title
;(Diethyl
 ether-<i>O</i>)[<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-(trimethylsilyl)amido-<i>N</i>](pyridine-<i>N</i>)lithium
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1911
_journal_page_last               1913
_journal_paper_doi               10.1107/S010827019600409X
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Li (C15 H26 N Si)(C4 H10 O)(C5 H5 N)]'
_chemical_formula_moiety         ' C24 H41 Li1 N2 O1 Si1'
_chemical_formula_sum            'C24 H41 Li N2 O Si'
_chemical_formula_weight         408.63
_chemical_name_systematic
;
[(N-2,6-Diisopropylphenyl-N-trimethylsilyl)amido-N](pyridine-N)-
(Diethyl ether-O)lithium
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.56(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.556(6)
_cell_length_b                   14.408(7)
_cell_length_c                   14.996(8)
_cell_measurement_reflns_used    13
_cell_measurement_temperature    298
_cell_measurement_theta_max      17
_cell_measurement_theta_min      14
_cell_volume                     2712(2)
_computing_cell_refinement       STADI4
_computing_data_collection       'STADI4 (Stoe & Cie, 1995a)'
_computing_data_reduction        'X-RED (Stoe & Cie, 1995b)'
_computing_molecular_graphics    'CAMERON (Watkin, Prout & Pearce, 1996)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement
'CRYSTALS (Watkin, Prout, Carruthers & Betteridge, 1996)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'Stoe Stadi4 four-circle diffractometer'
_diffrn_measurement_method       \w-\q
_diffrn_radiation_monochromator  'planar graphite'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_av_sigmaI/netI    5.69
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6695
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.50
_diffrn_standards_decay_%        2.5
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.101
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.001
_exptl_crystal_density_meas      ?
_exptl_crystal_description       column
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.96
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.22
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_obs   1.0673
_refine_ls_hydrogen_treatment
;
Hydrogen atoms placed in calculated positions 1.00\%A from the
supporting C atom and  with U~iso~(H) = 1.3U~eq~(C).
;
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         1698
_refine_ls_R_factor_obs          0.0749
_refine_ls_shift/esd_max         0.25
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
'Weighting scheme from Chebychev polynomial (Carruthers & Watkin, 1979)'
_refine_ls_wR_factor_obs         0.0655
_reflns_number_observed          1698
_reflns_number_total             3840
_reflns_observed_criterion       I>2.00\s(I)
_cod_data_source_file            ab1370.cif
_cod_data_source_block           zrnncl
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item and updating the _atom_type_symbol
 data item values accordingly.

 Antanas Vaitkus,
 2018-08-07

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:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_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      'P 21/n'
_cod_original_formula_sum        ' C24 H41 Li1 N2 O1 Si1'
_cod_database_code               2005206