(3-Hydroxy-2-{[1-(2-oxidophenyl)ethylidene]amino-κ^2^<i>O</i>,<i>N</i>}propanoato-κ<i>O</i>^1^)diphenyltin(IV)
Qiao, Yan; Ju, Xiuping; Gao, Zhiqing; Kong, Lingqian; Acta Crystallographica Section E 66 (2010) m1373–; doi:10.1107/S1600536810039449

data_2227359
_publ_section_title
;
 (3-Hydroxy-2-{[1-(2-oxidophenyl)ethylidene]amino-\k^2^<i>O</i>,<i>N</i>}propanoato-\k<i>O</i>^1^)diphenyltin(IV)
;
_journal_coeditor_code           CV2769
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1373
_journal_paper_doi               10.1107/S1600536810039449
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Sn (C6 H5)2 (C11 H11 N O4)]'
_chemical_formula_moiety         'C23 H21 N O4 Sn'
_chemical_formula_sum            'C23 H21 N O4 Sn'
_chemical_formula_weight         494.10
_chemical_name_systematic
;
(3-Hydroxy-2-{[1-(2-oxidophenyl)ethylidene]amino-
\k^2^<i>O</i>,</i>N</i>}propanoato-\k<i>O</i>^1^)diphenyltin(IV)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 111.488(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.234(10)
_cell_length_b                   15.581(14)
_cell_length_c                   12.321(11)
_cell_measurement_reflns_used    3469
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.612
_cell_measurement_theta_min      2.206
_cell_volume                     2007(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0654
_diffrn_reflns_av_sigmaI/netI    0.0707
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10058
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    1.303
_exptl_absorpt_correction_T_max  0.7899
_exptl_absorpt_correction_T_min  0.5736
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.481
_refine_diff_density_min         -0.800
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         3526
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0734
_refine_ls_R_factor_gt           0.0476
_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^)+(0.0704P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1170
_refine_ls_wR_factor_ref         0.1277
_reflns_number_gt                2572
_reflns_number_total             3526
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cv2769.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n  '
_cod_database_code               2227359
_cod_database_fobs_code          2227359