Butyltrichlorido{2-[(diisopropylammonio)methyl]phenyl}tin(IV) dichloromethane monosolvate
Rotar, Adina; Varga, Richard A.; Staninska, Malgorzata; Acta Crystallographica Section E 67 (2011) m56–; doi:10.1107/S1600536810050713

data_2228926
_publ_section_title
;
 Butyltrichlorido{2-[(diisopropylammonio)methyl]phenyl}tin(IV)
 dichloromethane monosolvate
;
_journal_coeditor_code           ZL2332
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m56
_journal_paper_doi               10.1107/S1600536810050713
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn (C4 H9) (C13 H21 N) Cl3], C H2 Cl2'
_chemical_formula_moiety         'C17 H30 Cl3 N Sn, C H2 Cl2'
_chemical_formula_sum            'C18 H32 Cl5 N Sn'
_chemical_formula_weight         558.39
_chemical_name_systematic
;
Butyltrichlorido{2-[(diisopropylammonio)methyl]phenyl}tin(IV)
dichloromethane monosolvate
;
_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                115.594(13)
_cell_angle_beta                 100.767(15)
_cell_angle_gamma                97.176(15)
_cell_formula_units_Z            2
_cell_length_a                   10.654(8)
_cell_length_b                   11.093(9)
_cell_length_c                   12.406(10)
_cell_measurement_reflns_used    1665
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      20.05
_cell_measurement_theta_min      2.35
_cell_volume                     1263.6(17)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2006)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0743
_diffrn_reflns_av_sigmaI/netI    0.1206
_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       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9126
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    1.543
_exptl_absorpt_correction_T_max  0.7687
_exptl_absorpt_correction_T_min  0.5436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.431
_refine_diff_density_min         -0.733
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         4416
_refine_ls_number_restraints     40
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1048
_refine_ls_R_factor_gt           0.0755
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1038P)^2^+0.0754P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1952
_refine_ls_wR_factor_ref         0.2130
_reflns_number_gt                3122
_reflns_number_total             4416
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            zl2332.cif
_cod_data_source_block           I
_cod_original_cell_volume        1263.5(17)
_cod_original_sg_symbol_Hall     '-p 1'
_cod_database_code               2228926
_cod_database_fobs_code          2228926