<i>catena</i>-Poly[[trimethyltin(IV)]-μ-2-(4-chlorophenyl)-3-(4-methoxyphenyl)propenoato-κ^2^<i>O</i>:<i>O</i>']
Sadiq-ur-Rehman; Abdelrehman, Doaa; Ali, Saqib; Badshah, Amin; Parvez, Masood; Acta Crystallographica Section E 60 (2004) m1076–m1078; doi:10.1107/S1600536804015314

data_2204049
_publ_section_title
<i>catena</i>-Poly[[trimethyltin(IV)]-\m-2-(4-chlorophenyl)-3-(4-methoxyphenyl)propenoato-\k^2^<i>O</i>:<i>O</i>']
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1076
_journal_page_last               m1078
_journal_paper_doi               10.1107/S1600536804015314
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Sn (C H3)3 (C16 H12 Cl O3)]'
_chemical_formula_moiety         'C19 H21 Cl O3 Sn'
_chemical_formula_sum            'C19 H21 Cl O3 Sn'
_chemical_formula_weight         451.50
_chemical_melting_point          400.0(10)
_chemical_name_common
;
catena-Poly[[trimethyltin(IV)]-\m-2-(4-chlorophenyl)-3-(4-methoxyphenyl)
-propenoato-\k^2^O:O'],
;
_chemical_name_systematic
;
catena-Poly[[trimethyltin(IV)]-\m-2-(4-chlorophenyl)-3-(4-methoxyphenyl)
-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                 101.118(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.512(2)
_cell_length_b                   10.424(2)
_cell_length_c                   19.421(4)
_cell_measurement_reflns_used    7498
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     1889.5(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 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.027
_diffrn_reflns_av_sigmaI/netI    0.043
_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       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            7498
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         3.3
_diffrn_standards_decay_%        <0.1
_exptl_absorpt_coefficient_mu    1.507
_exptl_absorpt_correction_T_max  0.876
_exptl_absorpt_correction_T_min  0.817
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.04
_refine_diff_density_min         -0.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         4314
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.03
_refine_ls_R_factor_all          0.043
_refine_ls_R_factor_gt           0.030
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.00
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0378P)^2^+0.4627P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.069
_refine_ls_wR_factor_ref         0.075
_reflns_number_gt                3546
_reflns_number_total             4314
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh6235.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '399-401 K' was changed to
'400.0(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 '399-401 K' was changed to
'400.0(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               2204049
_cod_database_fobs_code          2204049