Bis[2-(3-chlorobenzylidene)propanoato-κ^2^<i>O</i>,<i>O</i>']diethyltin(IV)
Muhammad, Niaz; Tahir, M. Nawaz; Ali, Saqib; Zia-ur-Rehman; Acta Crystallographica Section E 64 (2008) m946–m947; doi:10.1107/S1600536808018321

data_2218728
_publ_section_title
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 Bis[2-(3-chlorobenzylidene)propanoato-\k^2^<i>O</i>,<i>O</i>']diethyltin(IV)
;
_journal_coeditor_code           HK2473
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m946
_journal_page_last               m947
_journal_paper_doi               10.1107/S1600536808018321
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Sn (C2 H5)2 (C10 H8 Cl O2)2]'
_chemical_formula_moiety         'C24 H26 Cl2 O4 Sn'
_chemical_formula_sum            'C24 H26 Cl2 O4 Sn'
_chemical_formula_weight         568.04
_chemical_name_systematic
;
Bis[2-(3-chlorobenzylidene)propanoato-\k^2^O,O']diethyltin(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           SHELXL97
_cell_angle_alpha                98.724(2)
_cell_angle_beta                 92.250(2)
_cell_angle_gamma                100.148(2)
_cell_formula_units_Z            2
_cell_length_a                   7.5171(3)
_cell_length_b                   12.8388(5)
_cell_length_c                   12.8712(5)
_cell_measurement_reflns_used    2981
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.60
_cell_volume                     1205.84(8)
_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)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 7.6
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker KappaAPEXII 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  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            20475
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    1.308
_exptl_absorpt_correction_T_max  0.819
_exptl_absorpt_correction_T_min  0.756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.185
_refine_diff_density_min         -0.698
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.227
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         4718
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.227
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0511P)^2^+0.4634P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0744
_refine_ls_wR_factor_ref         0.0903
_reflns_number_gt                4364
_reflns_number_total             4718
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2473.cif
_cod_data_source_block           I
_cod_database_code               2218728
_cod_database_fobs_code          2218728