Diethyl[<i>N</i>-(3-methoxy-2-oxidobenzylidene)-<i>N</i>'-(oxidomethylene)hydrazine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']tin(IV)
Shuja, Shaukat; Tahir, M. Nawaz; Ali, Saqib; Khalid, Nasir; Acta Crystallographica Section E 64 (2008) m963–m964; doi:10.1107/S1600536808018953

data_2218731
_publ_section_title
Diethyl[<i>N</i>-(3-methoxy-2-oxidobenzylidene)-<i>N</i>'-(oxidomethylene)hydrazine-\k^3^<i>O</i>,<i>N</i>,<i>O</i>']tin(IV)
_journal_coeditor_code           HK2477
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m963
_journal_page_last               m964
_journal_paper_doi               10.1107/S1600536808018953
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Sn (C2 H5)2 (C9 H8 N2 O3)]'
_chemical_formula_moiety         'C13 H18 N2 O3 Sn'
_chemical_formula_sum            'C13 H18 N2 O3 Sn'
_chemical_formula_weight         368.98
_chemical_name_systematic
;
Diethyl[<i>N</i>-(3-methoxy-2-oxidobenzylidene)-<i>N</i>'-
(oxidomethylene)hydrazine-\k^3^<i>O</i>,<i>N</i>,<i>O</i>']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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                63.521(2)
_cell_angle_beta                 68.9670(10)
_cell_angle_gamma                77.803(2)
_cell_formula_units_Z            2
_cell_length_a                   8.2485(3)
_cell_length_b                   9.8609(4)
_cell_length_c                   10.4501(4)
_cell_measurement_reflns_used    3603
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.69
_cell_measurement_theta_min      2.28
_cell_volume                     708.79(5)
_computing_cell_refinement       'APEX2 (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
;
WinGX (Farrugia, 1999) and PLATON (Spek, 2003)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 7.4
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       \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  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0163
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_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            14275
_diffrn_reflns_theta_full        28.69
_diffrn_reflns_theta_max         28.69
_diffrn_reflns_theta_min         2.28
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.808
_exptl_absorpt_correction_T_max  0.720
_exptl_absorpt_correction_T_min  0.6500
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             368
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.389
_refine_diff_density_min         -0.593
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3603
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0178
_refine_ls_R_factor_gt           0.0156
_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^)+(0.0503P)^2^+0.0901P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0532
_refine_ls_wR_factor_ref         0.0631
_reflns_number_gt                3458
_reflns_number_total             3603
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2477.cif
_cod_data_source_block           I
_cod_database_code               2218731
_cod_database_fobs_code          2218731