Trichlorido{2-dimethoxymethyl-4-methyl-6-[(quinolin-8-yl)iminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}tin(IV)
Kawamoto, Keisuke; Shibahara, Takashi; Acta Crystallographica Section E 68 (2012) m208–; doi:10.1107/S1600536812002528

data_2233588
_publ_section_title
;
 Trichlorido{2-dimethoxymethyl-4-methyl-6-[(quinolin-8-yl)iminomethyl]phenolato-\k^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}tin(IV)
;
_journal_coeditor_code           PK2385
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m208
_journal_paper_doi               10.1107/S1600536812002528
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Sn (C20 H19 N2 O3) Cl3]'
_chemical_formula_moiety         'C20 H19 Cl3 N2 O3 Sn'
_chemical_formula_sum            'C20 H19 Cl3 N2 O3 Sn'
_chemical_formula_weight         560.43
_chemical_name_systematic
;
Trichlorido{2-dimethoxymethyl-4-methyl-6-[(quinolin-8-
yl)iminomethyl]phenolato-\k^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}tin(IV)
;
_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
_cell_angle_alpha                72.300(13)
_cell_angle_beta                 79.10(3)
_cell_angle_gamma                89.89(3)
_cell_formula_units_Z            2
_cell_length_a                   7.213(5)
_cell_length_b                   11.786(8)
_cell_length_c                   13.197(8)
_cell_measurement_reflns_used    3411
_cell_measurement_temperature    93
_cell_measurement_theta_max      30.03
_cell_measurement_theta_min      3.02
_cell_volume                     1047.7(12)
_computing_cell_refinement       'CrystalClear (Rigaku, 2007)'
_computing_data_collection       'CrystalClear (Rigaku, 2007)'
_computing_data_reduction        'CrystalClear (Rigaku, 2007)'
_computing_molecular_graphics    'CrystalStructure (Rigaku, 2010)'
_computing_publication_material  'CrystalStructure (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla <i>et al.</i>, 2005)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0203
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15965
_diffrn_reflns_theta_full        30.07
_diffrn_reflns_theta_max         30.06
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.626
_exptl_absorpt_correction_T_max  0.836
_exptl_absorpt_correction_T_min  0.779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>REQAB</i>; Rigaku, 1998)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.777
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             556.00
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.110
_refine_diff_density_max         1.510
_refine_diff_density_min         -1.240
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     292
_refine_ls_number_reflns         5989
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0376P)^2^+3.6120P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                5512
_reflns_number_total             5989
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            pk2385.cif
_cod_data_source_block           I
_cod_original_cell_volume        1047.5(13)
_cod_database_code               2233588
_cod_database_fobs_code          2233588