##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_Global
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2004-06-18
_journal_date_accepted     2004-06-23
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2004
_journal_volume     60
_journal_issue      8
_journal_page_first     m1076
_journal_page_last     m1078
_journal_paper_category     EM
_publ_contact_author
;
    Masood Parvez
    Department of Chemistry
    University of Calgary
    2500 University Drive N.W.
    Calgary, Alberta, Canada T2N 1N4
;
_publ_contact_author_email     parvez@ucalgary.ca
_publ_contact_author_fax     ' (403)289-9488 '
_publ_contact_author_phone     ' (403)220-5348 '
_publ_section_title
;
catena-Poly[[trimethyltin(IV)]-μ-2-(4-chlorophenyl)-3-(4-
methoxyphenyl)propenoato-κ²O:O']
;
loop_
    _publ_author_name
    _publ_author_address
    'Sadiq-ur-Rehman'
;
Department of Chemistry
Quaid-i-Azam University
Islamabad 45320
Pakistan
;
    'Abdelrehman, Doaa'
;
Department of Chemistry
University of Calgary
2500 University Drive NW
Calgary
Alberta
Canada T2N 1N4
;
    'Ali, Saqib'
;
Department of Chemistry
Quaid-i-Azam University
Islamabad 45320
Pakistan
;
    'Badshah, Amin'
;
Department of Chemistry
Quaid-i-Azam University
Islamabad 45320
Pakistan
;
    'Parvez, Masood'
;
Department of Chemistry
University of Calgary
2500 University Drive NW
Calgary
Alberta
Canada T2N 1N4
;
data_I
_chemical_name_systematic
;
catena-Poly[[trimethyltin(IV)]-μ-2-(4-chlorophenyl)-3-(4-methoxyphenyl)
-propenoato-κ²O:O'],
;
_chemical_name_common
;
catena-Poly[[trimethyltin(IV)]-μ-2-(4-chlorophenyl)-3-(4-methoxyphenyl)
-propenoato-κ²O:O'],
;
_chemical_formula_moiety     'C19 H21 Cl O3 Sn'
_chemical_formula_sum     'C19 H21 Cl O3 Sn'
_chemical_formula_iupac     '[Sn (C H3)3 (C16 H12 Cl O3)]'
_chemical_formula_weight     451.50
_chemical_melting_point     '399-401 K'
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     9.512(2)
_cell_length_b     10.424(2)
_cell_length_c     19.421(4)
_cell_angle_alpha     90.00
_cell_angle_beta     101.118(14)
_cell_angle_gamma     90.00
_cell_volume     1889.5(7)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     7498
_cell_measurement_theta_min     3.3
_cell_measurement_theta_max     27.5
_cell_measurement_temperature     173(2)
_exptl_crystal_description     'block'
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.14
_exptl_crystal_size_mid     0.14
_exptl_crystal_size_min     0.09
_exptl_crystal_density_diffrn     1.587
_exptl_crystal_density_meas     'not measured'
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     904
_exptl_absorpt_coefficient_mu     1.507
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(SORTAV; Blessing, 1997)'
_exptl_absorpt_correction_T_min     0.817
_exptl_absorpt_correction_T_max     0.876
_diffrn_ambient_temperature     173(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Nonius KappaCCD'
_diffrn_measurement_method     'ω and φ'
_diffrn_reflns_number     7498
_diffrn_reflns_av_R_equivalents     0.027
_diffrn_reflns_av_sigmaI/netI     0.043
_diffrn_reflns_theta_min     3.3
_diffrn_reflns_theta_max     27.5
_diffrn_reflns_theta_full     27.5
_diffrn_measured_fraction_theta_max     0.994
_diffrn_measured_fraction_theta_full     0.994
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -25
_diffrn_reflns_limit_l_max     25
_diffrn_standards_decay_%     <0.1
_reflns_number_total     4314
_reflns_number_gt     3546
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.043
_refine_ls_R_factor_gt     0.030
_refine_ls_wR_factor_gt     0.069
_refine_ls_wR_factor_ref     0.075
_refine_ls_goodness_of_fit_ref     1.03
_refine_ls_restrained_S_all     1.03
_refine_ls_number_reflns     4314
_refine_ls_number_parameters     221
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
     'calc w = 1/[σ²(Fo²)+(0.0378P)²+0.4627P] where P = (Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.00
_refine_diff_density_max     1.04
_refine_diff_density_min     -0.76
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Sn' 'Sn' -0.6537 1.4246
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'COLLECT (Hooft, 1998)'
_computing_cell_refinement     'HKL DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction     'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_structure_solution     'SAPI91 (Fan, 1991)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEPII (Johnson, 1976)'
_computing_publication_material     'SHELXL97 (Sheldrick, 1997)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    Sn1 0.483173(18) 0.284904(16) 0.236351(8) 0.02404(8) Uani d . 1 . . Sn
    Cl1 0.22030(9) 1.11811(7) -0.01816(4) 0.04398(19) Uani d . 1 . . Cl
    O1 0.4141(2) 0.41074(18) 0.14861(9) 0.0414(5) Uani d . 1 . . O
    O2 0.4456(2) 0.61528(18) 0.17821(9) 0.0378(5) Uani d . 1 . . O
    O3 -0.0766(2) 0.5040(2) -0.25098(10) 0.0460(5) Uani d . 1 . . O
    C1 0.3453(3) 0.1467(3) 0.17871(14) 0.0358(6) Uani d . 1 . . C
    H1A 0.3854 0.1181 0.1384 0.054 Uiso calc R 1 . . H
    H1B 0.2508 0.1850 0.1620 0.054 Uiso calc R 1 . . H
    H1C 0.3361 0.0732 0.2090 0.054 Uiso calc R 1 . . H
    C2 0.4088(3) 0.3880(3) 0.31636(13) 0.0315(6) Uani d . 1 . . C
    H2A 0.4823 0.3866 0.3593 0.047 Uiso calc R 1 . . H
    H2B 0.3209 0.3480 0.3254 0.047 Uiso calc R 1 . . H
    H2C 0.3889 0.4770 0.3013 0.047 Uiso calc R 1 . . H
    C3 0.7004(3) 0.2891(3) 0.22600(16) 0.0393(7) Uani d . 1 . . C
    H3A 0.7441 0.2050 0.2384 0.059 Uiso calc R 1 . . H
    H3B 0.7517 0.3546 0.2574 0.059 Uiso calc R 1 . . H
    H3C 0.7062 0.3096 0.1774 0.059 Uiso calc R 1 . . H
    C4 0.4012(3) 0.5302(2) 0.13597(12) 0.0257(5) Uani d . 1 . . C
    C5 0.3235(3) 0.5649(2) 0.06277(12) 0.0233(5) Uani d . 1 . . C
    C6 0.3006(3) 0.7036(2) 0.04537(12) 0.0232(5) Uani d . 1 . . C
    C7 0.3706(3) 0.7601(3) -0.00363(14) 0.0274(6) Uani d . 1 . . C
    H7 0.4356 0.7105 -0.0241 0.033 Uiso calc R 1 . . H
    C8 0.3471(3) 0.8876(3) -0.02305(14) 0.0327(6) Uani d . 1 . . C
    H8 0.3952 0.9254 -0.0565 0.039 Uiso calc R 1 . . H
    C9 0.2531(3) 0.9580(2) 0.00707(13) 0.0307(6) Uani d . 1 . . C
    C10 0.1819(3) 0.9051(3) 0.05580(13) 0.0327(6) Uani d . 1 . . C
    H10 0.1162 0.9551 0.0756 0.039 Uiso calc R 1 . . H
    C11 0.2075(3) 0.7782(2) 0.07555(14) 0.0297(6) Uani d . 1 . . C
    H11 0.1610 0.7418 0.1100 0.036 Uiso calc R 1 . . H
    C12 0.2818(3) 0.4715(2) 0.01621(12) 0.0265(5) Uani d . 1 . . C
    H12 0.3140 0.3875 0.0302 0.032 Uiso calc R 1 . . H
    C13 0.1916(3) 0.4834(2) -0.05431(12) 0.0273(6) Uani d . 1 . . C
    C14 0.0741(3) 0.5665(3) -0.06851(13) 0.0318(6) Uani d . 1 . . C
    H14 0.0546 0.6221 -0.0327 0.038 Uiso calc R 1 . . H
    C15 -0.0138(3) 0.5687(3) -0.13400(14) 0.0350(6) Uani d . 1 . . C
    H15 -0.0949 0.6237 -0.1425 0.042 Uiso calc R 1 . . H
    C16 0.0158(3) 0.4910(3) -0.18743(13) 0.0322(6) Uani d . 1 . . C
    C17 0.1297(3) 0.4074(3) -0.17468(13) 0.0335(6) Uani d . 1 . . C
    H17 0.1496 0.3533 -0.2110 0.040 Uiso calc R 1 . . H
    C18 0.2159(3) 0.4028(3) -0.10791(13) 0.0291(6) Uani d . 1 . . C
    H18 0.2929 0.3433 -0.0988 0.035 Uiso calc R 1 . . H
    C19 -0.0401(4) 0.4399(4) -0.30948(14) 0.0552(10) Uani d . 1 . . C
    H19A 0.0555 0.4671 -0.3154 0.083 Uiso calc R 1 . . H
    H19B -0.1102 0.4613 -0.3518 0.083 Uiso calc R 1 . . H
    H19C -0.0403 0.3470 -0.3017 0.083 Uiso calc R 1 . . H
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Sn1 C3 . 2.115(3) y
    Sn1 C1 . 2.117(3) y
    Sn1 C2 . 2.120(3) y
    Sn1 O1 . 2.150(2) y
    Sn1 O2 2_645 2.430(2) y
    Cl1 C9 . 1.751(3) y
    O1 C4 . 1.270(3) y
    O2 C4 . 1.227(3) y
    O2 Sn1 2_655 2.430(2) n
    O3 C16 . 1.377(3) y
    O3 C19 . 1.418(4) y
    C1 H1A . 0.9800 n
    C1 H1B . 0.9800 n
    C1 H1C . 0.9800 n
    C2 H2A . 0.9800 n
    C2 H2B . 0.9800 n
    C2 H2C . 0.9800 n
    C3 H3A . 0.9800 n
    C3 H3B . 0.9800 n
    C3 H3C . 0.9800 n
    C4 C5 . 1.514(3) n
    C5 C12 . 1.336(3) n
    C5 C6 . 1.492(3) n
    C6 C11 . 1.390(4) n
    C6 C7 . 1.393(3) n
    C7 C8 . 1.387(4) n
    C7 H7 . 0.9500 n
    C8 C9 . 1.372(4) n
    C8 H8 . 0.9500 n
    C9 C10 . 1.380(4) n
    C10 C11 . 1.386(4) n
    C10 H10 . 0.9500 n
    C11 H11 . 0.9500 n
    C12 C13 . 1.474(3) n
    C12 H12 . 0.9500 n
    C13 C18 . 1.391(4) n
    C13 C14 . 1.399(4) n
    C14 C15 . 1.381(4) n
    C14 H14 . 0.9500 n
    C15 C16 . 1.387(4) n
    C15 H15 . 0.9500 n
    C16 C17 . 1.375(4) n
    C17 C18 . 1.395(4) n
    C17 H17 . 0.9500 n
    C18 H18 . 0.9500 n
    C19 H19A . 0.9800 n
    C19 H19B . 0.9800 n
    C19 H19C . 0.9800 n
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C3 Sn1 C1 . . 118.73(12) y
    C3 Sn1 C2 . . 121.97(12) y
    C1 Sn1 C2 . . 118.20(11) y
    C3 Sn1 O1 . . 93.83(11) y
    C1 Sn1 O1 . . 86.13(10) y
    C2 Sn1 O1 . . 100.23(9) y
    C3 Sn1 O2 . 2_645 86.05(10) y
    C1 Sn1 O2 . 2_645 85.91(9) y
    C2 Sn1 O2 . 2_645 87.52(9) y
    O1 Sn1 O2 . 2_645 170.85(7) y
    C4 O1 Sn1 . . 139.0(2) y
    C4 O2 Sn1 . 2_655 176.0(2) y
    C16 O3 C19 . . 117.3(2) y
    Sn1 C1 H1A . . 109.5 n
    Sn1 C1 H1B . . 109.5 n
    H1A C1 H1B . . 109.5 n
    Sn1 C1 H1C . . 109.5 n
    H1A C1 H1C . . 109.5 n
    H1B C1 H1C . . 109.5 n
    Sn1 C2 H2A . . 109.5 n
    Sn1 C2 H2B . . 109.5 n
    H2A C2 H2B . . 109.5 n
    Sn1 C2 H2C . . 109.5 n
    H2A C2 H2C . . 109.5 n
    H2B C2 H2C . . 109.5 n
    Sn1 C3 H3A . . 109.5 n
    Sn1 C3 H3B . . 109.5 n
    H3A C3 H3B . . 109.5 n
    Sn1 C3 H3C . . 109.5 n
    H3A C3 H3C . . 109.5 n
    H3B C3 H3C . . 109.5 n
    O2 C4 O1 . . 124.8(2) n
    O2 C4 C5 . . 119.9(2) n
    O1 C4 C5 . . 115.3(2) n
    C12 C5 C6 . . 122.8(2) n
    C12 C5 C4 . . 119.3(2) n
    C6 C5 C4 . . 117.9(2) n
    C11 C6 C7 . . 118.6(2) n
    C11 C6 C5 . . 121.6(2) n
    C7 C6 C5 . . 119.8(2) n
    C8 C7 C6 . . 121.2(2) n
    C8 C7 H7 . . 119.4 n
    C6 C7 H7 . . 119.4 n
    C9 C8 C7 . . 118.7(2) n
    C9 C8 H8 . . 120.7 n
    C7 C8 H8 . . 120.7 n
    C8 C9 C10 . . 121.7(2) n
    C8 C9 Cl1 . . 119.1(2) n
    C10 C9 Cl1 . . 119.2(2) n
    C9 C10 C11 . . 119.2(3) n
    C9 C10 H10 . . 120.4 n
    C11 C10 H10 . . 120.4 n
    C10 C11 C6 . . 120.6(2) n
    C10 C11 H11 . . 119.7 n
    C6 C11 H11 . . 119.7 n
    C5 C12 C13 . . 127.7(2) n
    C5 C12 H12 . . 116.2 n
    C13 C12 H12 . . 116.2 n
    C18 C13 C14 . . 117.9(2) n
    C18 C13 C12 . . 119.6(2) n
    C14 C13 C12 . . 122.3(2) n
    C15 C14 C13 . . 120.7(3) n
    C15 C14 H14 . . 119.7 n
    C13 C14 H14 . . 119.7 n
    C14 C15 C16 . . 120.3(3) n
    C14 C15 H15 . . 119.8 n
    C16 C15 H15 . . 119.8 n
    C17 C16 O3 . . 124.6(3) n
    C17 C16 C15 . . 120.1(2) n
    O3 C16 C15 . . 115.2(3) n
    C16 C17 C18 . . 119.4(3) n
    C16 C17 H17 . . 120.3 n
    C18 C17 H17 . . 120.3 n
    C13 C18 C17 . . 121.5(3) n
    C13 C18 H18 . . 119.3 n
    C17 C18 H18 . . 119.3 n
    O3 C19 H19A . . 109.5 n
    O3 C19 H19B . . 109.5 n
    H19A C19 H19B . . 109.5 n
    O3 C19 H19C . . 109.5 n
    H19A C19 H19C . . 109.5 n
    H19B C19 H19C . . 109.5 n
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C3 Sn1 O1 C4 . . . . -87.5(3) n
    C1 Sn1 O1 C4 . . . . 153.9(3) n
    C2 Sn1 O1 C4 . . . . 36.0(3) n
    Sn1 O1 C4 O2 . . . . 8.3(5) n
    Sn1 O1 C4 C5 . . . . -171.3(2) n
    O2 C4 C5 C12 . . . . 176.8(2) n
    O1 C4 C5 C12 . . . . -3.6(4) n
    O2 C4 C5 C6 . . . . -1.5(4) n
    O1 C4 C5 C6 . . . . 178.1(2) n
    C12 C5 C6 C11 . . . . 112.9(3) n
    C4 C5 C6 C11 . . . . -68.8(3) n
    C12 C5 C6 C7 . . . . -65.3(4) n
    C4 C5 C6 C7 . . . . 112.9(3) n
    C11 C6 C7 C8 . . . . -0.9(4) n
    C5 C6 C7 C8 . . . . 177.4(2) n
    C6 C7 C8 C9 . . . . 0.0(4) n
    C7 C8 C9 C10 . . . . 0.0(4) n
    C7 C8 C9 Cl1 . . . . -178.9(2) n
    C8 C9 C10 C11 . . . . 0.9(4) n
    Cl1 C9 C10 C11 . . . . 179.8(2) n
    C9 C10 C11 C6 . . . . -1.8(4) n
    C7 C6 C11 C10 . . . . 1.8(4) n
    C5 C6 C11 C10 . . . . -176.5(2) n
    C6 C5 C12 C13 . . . . -9.3(4) n
    C4 C5 C12 C13 . . . . 172.5(2) n
    C5 C12 C13 C18 . . . . 146.6(3) n
    C5 C12 C13 C14 . . . . -38.6(4) n
    C18 C13 C14 C15 . . . . -0.5(4) n
    C12 C13 C14 C15 . . . . -175.5(3) n
    C13 C14 C15 C16 . . . . -2.0(4) n
    C19 O3 C16 C17 . . . . -9.1(4) n
    C19 O3 C16 C15 . . . . 171.7(3) n
    C14 C15 C16 C17 . . . . 2.6(4) n
    C14 C15 C16 O3 . . . . -178.1(3) n
    O3 C16 C17 C18 . . . . -180.0(3) n
    C15 C16 C17 C18 . . . . -0.7(4) n
    C14 C13 C18 C17 . . . . 2.4(4) n
    C12 C13 C18 C17 . . . . 177.5(2) n
    C16 C17 C18 C13 . . . . -1.8(4) n
