Bis[2,3-bis(4-chlorophenyl)propenoato-κ^2^<i>O,O</i>']dimethyltin(IV)
Sadiq-ur-Rehman; Leung, Bonnie On-On; Ali, Saqib; Badshah, Amin; Parvez, Masood; Acta Crystallographica Section E 60 (2004) m984–m986; doi:10.1107/S1600536804014710

data_2203918
_publ_section_title
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 Bis[2,3-bis(4-chlorophenyl)propenoato-\k^2^<i>O,O</i>']dimethyltin(IV)
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_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m984
_journal_page_last               m986
_journal_paper_doi               10.1107/S1600536804014710
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Sn (C H3)2 (C15 H9 Cl2 O2)2]'
_chemical_formula_moiety         'C32 H24 Cl4 O4 Sn'
_chemical_formula_sum            'C32 H24 Cl4 O4 Sn'
_chemical_formula_weight         733.00
_chemical_melting_point          474.5(15)
_chemical_name_common
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Bis[2,3-bis(4-chlorophenyl)propenoato-\k^2^O,O']dimethyltin(IV)
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_chemical_name_systematic
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Bis[2,3-bis(4-chlorophenyl)propenoato-\k^2^O,O']dimethyltin(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                95.817(6)
_cell_angle_beta                 99.748(7)
_cell_angle_gamma                114.116(8)
_cell_formula_units_Z            2
_cell_length_a                   8.4740(11)
_cell_length_b                   10.2770(12)
_cell_length_c                   19.472(4)
_cell_measurement_reflns_used    12446
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      3.1
_cell_volume                     1497.7(4)
_computing_cell_refinement       'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SAPI91 (Fan, 1991)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\w and \f'
_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  0.032
_diffrn_reflns_av_sigmaI/netI    0.051
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            12446
_diffrn_reflns_theta_full        27.3
_diffrn_reflns_theta_max         27.3
_diffrn_reflns_theta_min         3.1
_exptl_absorpt_coefficient_mu    1.25
_exptl_absorpt_correction_T_max  0.886
_exptl_absorpt_correction_T_min  0.845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             732
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.43
_refine_diff_density_min         -0.68
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.01
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         6683
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.01
_refine_ls_R_factor_all          0.045
_refine_ls_R_factor_gt           0.032
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.00
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0343P)^2^+0.4509P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.070
_refine_ls_wR_factor_ref         0.075
_reflns_number_gt                5570
_reflns_number_total             6683
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh6234.cif
_cod_data_source_block           I
_cod_depositor_comments
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The following automatic conversions were performed:

'_chemical_melting_point' value '473-476 K' was changed to
'474.5(15)' - the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '473-476 K' was changed to
'474.5(15)' - the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2203918
_cod_database_fobs_code          2203918