<i>catena</i>-Poly[[trimethyltin(IV)]-μ-2,3-bis(4-chlorophenyl)propenoato-κ^2^<i>O</i>:<i>O</i>']
Sadiq-ur-Rehman; Shouldice, Stephen R.; Ali, Saqib; Badshah, Amin; Parvez, Masood; Acta Crystallographica Section E 60 (2004) m670–m672; doi:10.1107/S1600536804009468

data_2203626
_publ_section_title
<i>catena</i>-Poly[[trimethyltin(IV)]-\m-2,3-bis(4-chlorophenyl)propenoato-\k^2^<i>O</i>:<i>O</i>']
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m670
_journal_page_last               m672
_journal_paper_doi               10.1107/S1600536804009468
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Sn (C H3)3 (C15 H9 Cl2 O2)]'
_chemical_formula_moiety         'C18 H18 Cl2 O2 Sn'
_chemical_formula_sum            'C18 H18 Cl2 O2 Sn'
_chemical_formula_weight         455.91
_chemical_melting_point          424.0(10)
_chemical_name_common
catena-Poly[[trimethyltin(IV)]-\m-2,3-bis(4-chlorophenyl)propenoato-\k^2^O:O']
_chemical_name_systematic
catena-Poly[[trimethyltin(IV)]-\m-2,3-bis(4-chlorophenyl)propenoato-\k^2^O:O']
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 91.456(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.238(2)
_cell_length_b                   10.435(2)
_cell_length_c                   19.120(4)
_cell_measurement_reflns_used    15524
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      2.9
_cell_volume                     1842.5(7)
_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 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.041
_diffrn_reflns_av_sigmaI/netI    0.035
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15524
_diffrn_reflns_theta_full        28.3
_diffrn_reflns_theta_max         28.3
_diffrn_reflns_theta_min         2.9
_diffrn_standards_decay_%        <0.1
_exptl_absorpt_coefficient_mu    1.68
_exptl_absorpt_correction_T_max  0.767
_exptl_absorpt_correction_T_min  0.723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.58
_refine_diff_density_min         -0.87
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.05
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         4528
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.05
_refine_ls_R_factor_all          0.035
_refine_ls_R_factor_gt           0.029
_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^)+(0.034P)^2^+1.52P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.071
_refine_ls_wR_factor_ref         0.073
_reflns_number_gt                4032
_reflns_number_total             4528
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh6203.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '423-425 K' was changed to
'424.0(10)' - 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 '423-425 K' was changed to
'424.0(10)' - 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_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2203626
_cod_database_fobs_code          2203626