<i>N</i>-(2,6-Diisopropylphenyl)-<i>N</i>-{3-[(2,6-diisopropylphenyl)imino]butan-2-yl}azanide trichloridostannate(II)
Ma, Xiaoli; Sun, Shuai; Hao, Pengfei; Yang, Ying; Yang, Zhi; Acta Crystallographica Section E 68 (2012) m719–m720; doi:10.1107/S1600536812014729

data_2235077
_publ_section_title
;
 <i>N</i>-(2,6-Diisopropylphenyl)-<i>N</i>-{3-[(2,6-diisopropylphenyl)imino]butan-2-yl}azanide
 trichloridostannate(II)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m719
_journal_page_last               m720
_journal_paper_doi               10.1107/S1600536812014729
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '(C28 H43 Cl3 N2) [Sn Cl3]'
_chemical_formula_moiety         'C28 H43 N2 +, Cl3 Sn1 -'
_chemical_formula_sum            'C28 H43 Cl3 N2 Sn'
_chemical_formula_weight         632.68
_chemical_name_systematic
;
<i>N</i>-(2,6-Diisopropylphenyl)-<i>N</i>-{3-[(2,6-diisopropylphenyl)imino]
butan-2-yl}azanide trichloridostannate(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           SHELXL-97
_cell_angle_alpha                89.31(3)
_cell_angle_beta                 88.73(3)
_cell_angle_gamma                73.67(3)
_cell_formula_units_Z            4
_cell_length_a                   13.373(3)
_cell_length_b                   13.383(3)
_cell_length_c                   18.303(4)
_cell_measurement_reflns_used    8932
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.125
_cell_measurement_theta_min      2.540
_cell_volume                     3142.7(13)
_computing_cell_refinement       'CrystalClear (Rigaku, 2008)'
_computing_data_collection       'CrystalClear (Rigaku, 2008)'
_computing_data_reduction        'CrystalClear (Rigaku, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku AFC10/Saturn724+'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_av_sigmaI/netI    0.0587
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            26733
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.54
_exptl_absorpt_coefficient_mu    1.086
_exptl_absorpt_correction_T_max  0.9377
_exptl_absorpt_correction_T_min  0.7581
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2007)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.726
_refine_diff_density_min         -0.399
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         11362
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0387
_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^)+(0.0352P)^2^+0.0722P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0854
_reflns_number_gt                8991
_reflns_number_total             11362
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            hp2032.cif
_cod_data_source_block           I
_cod_original_cell_volume        3142.7(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2235077
_cod_database_fobs_code          2235077