Di-<i>tert</i>-butyl[3-methyl-2-(2-oxidobenzylideneamino)butanoato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>']tin(IV)
Ding, Rui-Fang; Zhu, Jun; Yin, Han-Dong; Acta Crystallographica Section E 62 (2006) m3158–m3159; doi:10.1107/S1600536806044333

data_2211112
_publ_section_title
Di-<i>tert</i>-butyl[3-methyl-2-(2-oxidobenzylideneamino)butanoato-\k^3^<i>N</i>,<i>O</i>,<i>O</i>']tin(IV)
_journal_coeditor_code           LH2206
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3158
_journal_page_last               m3159
_journal_paper_doi               10.1107/S1600536806044333
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn (C4 H9)2 (C12 H13 N O3)]'
_chemical_formula_moiety         'C20 H31 N O3 Sn'
_chemical_formula_sum            'C20 H31 N O3 Sn'
_chemical_formula_weight         452.15
_chemical_melting_point          .447E-305
_chemical_name_common
;
Di-tert-butyl[3-methyl-2-(2-oxidobenzylideneamino)butanoato-
\k^3^N,O,O']tin(IV)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.609(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.561(5)
_cell_length_b                   10.827(3)
_cell_length_c                   13.813(4)
_cell_measurement_reflns_used    4579
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.185
_cell_measurement_theta_min      2.325
_cell_volume                     2230.1(11)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0469
_diffrn_reflns_av_sigmaI/netI    0.0472
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11074
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.37
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.162
_exptl_absorpt_correction_T_max  0.715
_exptl_absorpt_correction_T_min  0.622
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.975
_refine_diff_density_min         -0.458
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3919
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0358
_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^)+(0.0542P)^2^+0.214P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0884
_refine_ls_wR_factor_ref         0.1033
_reflns_number_gt                2887
_reflns_number_total             3919
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2206.cif
_cod_data_source_block           I
_cod_original_cell_volume        2229.9(12)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2211112
_cod_database_fobs_code          2211112