Are There Structurally Relevant Attractive Interactions between Nitrogen Atoms and Group 14 Elements in Their Aminomethyl Compounds?
Mitzel, Norbert W.; Kiener, Christoph; Rankin, David W. H.; Organometallics 18 (1999) 3437–; doi:10.1021/om990166c

data_4077787
_publ_section_title
;
 Are There Structurally Relevant Attractive Interactions between Nitrogen
 Atoms and Group 14 Elements in Their Aminomethyl Compounds?
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              3437
_journal_paper_doi               10.1021/om990166c
_journal_volume                  18
_journal_year                    1999
_chemical_formula_sum            'C6 H17 N Sn'
_chemical_formula_weight         221.90
_chemical_name_systematic
; 
 N,N-Dimethylaminomethyl-trimethylstannane 
;
_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           SHELXL
_cell_angle_alpha                66.040(10)
_cell_angle_beta                 75.00(2)
_cell_angle_gamma                74.88(2)
_cell_formula_units_Z            4
_cell_length_a                   6.667(2)
_cell_length_b                   12.774(2)
_cell_length_c                   12.848(2)
_cell_measurement_reflns_used    100
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      24
_cell_measurement_theta_min      19
_cell_volume                     950.7(4)
_computing_cell_refinement       CAD4-Software
_computing_data_collection       CAD4-Software
_computing_data_reduction        CADSHEL
_computing_molecular_graphics    SHELXTL-5.01
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_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  0.0167
_diffrn_reflns_av_sigmaI/netI    0.0182
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7111
_diffrn_reflns_theta_max         26.98
_diffrn_reflns_theta_min         3.21
_diffrn_standards_decay_%        None
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.613
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_description       Cylinder
_exptl_crystal_F_000             440
_refine_diff_density_max         1.204
_refine_diff_density_min         -1.538
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.199
_refine_ls_goodness_of_fit_obs   1.230
_refine_ls_hydrogen_treatment    ride
_refine_ls_matrix_type           full
_refine_ls_number_parameters     171
_refine_ls_number_reflns         4121
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.382
_refine_ls_restrained_S_obs      1.230
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_obs          0.0259
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0421P)^2^+0.4474P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0824
_refine_ls_wR_factor_obs         0.0694
_reflns_number_observed          3720
_reflns_number_total             4140
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            om990166c.cif
_cod_data_source_block           kie1
_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 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'None' changed to
'none' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

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

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0421P)^2^+0.4474P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0421P)^2^+0.4474P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4077787