[Bis(trimethylsilyl)amido-κ<i>N</i>]{<i>tert</i>-butyl[(<i>E</i>)-2-(<i>tert</i>-butylimino)ethyl]amido-κ^2^<i>N</i>,<i>N</i>'}tin(II), a key intermediate in the synthesis of 1,3-di-<i>tert</i>-butyl-2,3-dihydro-1<i>H</i>-1,3,2-diazastannole
Guzei, Ilia A.; Timokhin, Vitaliy I.; West, Robert; Acta Crystallographica Section C 62 (2006) m90–m92; doi:10.1107/S0108270106001697

data_2014303
_publ_section_title
;[Bis(trimethylsilyl)amido-\k<i>N</i>]{<i>tert</i>-butyl[(<i>E</i>)-2-(<i>tert</i>-butylimino)ethyl]amido-\k^2^<i>N</i>,<i>N</i>'}tin(II),
 a key intermediate in the synthesis of
 1,3-di-<i>tert</i>-butyl-2,3-dihydro-1<i>H</i>-1,3,2-diazastannole
;
_journal_coeditor_code           AV1279
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m90
_journal_page_last               m92
_journal_paper_doi               10.1107/S0108270106001697
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn (C10 H21 N2) (C3 H9 N1 Si1)2]'
_chemical_formula_moiety         'C16 H39 N3 Si2 Sn'
_chemical_formula_sum            'C16 H39 N3 Si2 Sn'
_chemical_formula_weight         448.37
_chemical_name_systematic
;
{tert-Butyl[(E)-2-(tert-butylimino)ethyl]amido-k^2^N,N'}
[bis(trimethylsilyl)amido-\kN]tin(II)
;
_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
_audit_creation_method           SHELXL97
_cell_angle_alpha                81.4680(10)
_cell_angle_beta                 85.4160(10)
_cell_angle_gamma                64.2700(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2875(3)
_cell_length_b                   10.3056(3)
_cell_length_c                   13.3897(4)
_cell_measurement_reflns_used    7833
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.2837
_cell_measurement_theta_min      2.2115
_cell_volume                     1141.55(6)
_computing_cell_refinement       'SAINT  (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2003)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker SMART1000 CCD area-detector'
_diffrn_measurement_method       '0.30\% \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0153
_diffrn_reflns_av_sigmaI/netI    0.0216
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10674
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.21
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.226
_exptl_absorpt_correction_T_max  0.7657
_exptl_absorpt_correction_T_min  0.6464
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS  (Bruker, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.23
_refine_diff_density_max         2.383
_refine_diff_density_min         -1.357
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     207
_refine_ls_number_reflns         5449
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0311
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0373P)^2^+1.7884P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0784
_refine_ls_wR_factor_ref         0.0798
_reflns_number_gt                5137
_reflns_number_total             5449
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            av1279.cif
_cod_data_source_block           II
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 'Triclinic' changed to 'triclinic'
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 
;
_cod_database_code               2014303
_cod_database_fobs_code          2014303