Di-<i>n</i>-butyl[4-hydroxy-<i>N</i>'-(3-methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>,<i>O</i>]tin(IV)
Qiao, Yanling; Wang, Fei; Acta Crystallographica Section E 69 (2013) m675–; doi:10.1107/S1600536813031401

data_2238905
_publ_section_title
;
 Di-<i>n</i>-butyl[4-hydroxy-<i>N</i>'-(3-methoxy-2-oxidobenzylidene-\k<i>O</i>^2^)benzohydrazidato-\k^2^<i>N</i>,<i>O</i>]tin(IV)
;
_journal_coeditor_code           NG5348
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m675
_journal_paper_doi               10.1107/S1600536813031401
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Sn (C4 H9)2 (C15 H12 N2 O4)]'
_chemical_formula_moiety         'C23 H30 N2 O4 Sn'
_chemical_formula_sum            'C23 H30 N2 O4 Sn'
_chemical_formula_weight         517.18
_chemical_name_systematic
Di-<i>n</i>-butyl[4-hydroxy-<i>N</i>'-(3-methoxy-2-oxidobenzylidene-\k<i>O</i>^2^)benzohydrazidato-\k^2^<i>N</i>,<i>O</i>]tin(IV)
_space_group_IT_number           45
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.8504(3)
_cell_length_b                   22.2977(8)
_cell_length_c                   20.3988(8)
_cell_measurement_reflns_used    2824
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.4092
_cell_measurement_theta_min      2.7012
_cell_volume                     4935.3(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      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 1000'
_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  0.0606
_diffrn_reflns_av_sigmaI/netI    0.0578
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16038
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.71
_exptl_absorpt_coefficient_mu    1.064
_exptl_absorpt_correction_T_max  0.8830
_exptl_absorpt_correction_T_min  0.7920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2112
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.599
_refine_diff_density_min         -0.474
_refine_ls_abs_structure_details 'Flack (1983), 1986 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.03(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         4232
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0241P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0662
_refine_ls_wR_factor_ref         0.0755
_reflns_number_gt                3140
_reflns_number_total             4232
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ng5348.cif
_cod_data_source_block           I
_cod_original_cell_volume        4935.2(3)
_cod_database_code               2238905