##############################################################################
###                                                                        ###
###        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 2.4.    #
#                                                                            #
# 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                                                              #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
                                             
data_global
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2008-10-07
_journal_date_accepted     2008-10-08
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2008
_journal_volume     64
_journal_issue     11
_journal_page_first     m1403
_journal_page_last     m1403
_journal_paper_category     QM
_journal_coeditor_code     HB2813
_publ_contact_author_name     'Dr Seik Weng Ng'
_publ_contact_author_address
;
Department of Chemistry
University of Malaya
50603 Kuala Lumpur
Malaysia
;
_publ_contact_author_email     seikweng@um.edu.my
_publ_contact_author_fax     '03 7967 4193'
_publ_contact_author_phone     '03 7967 6778'
_publ_section_title
;
rac-(3-Hydroxy-2-phenylpropionato-κO)triphenyltin(IV)
;
loop_
    _publ_author_name
    _publ_author_address
    'Amini, Mostafa M.'
;
Department of Chemistry
Shahid Beheshti University
Tehran
Iran
;
    'Hajiashrafi, Taraneh'
;
School of Chemistry
College of Science
Tehran University
Tehran
Iran
;
    'Kharat, Ali Nemati'
;
School of Chemistry
College of Science
Tehran University
Tehran
Iran
;
    'Ng, Seik Weng'
;
Department of Chemistry
University of Malaya
50603 Kuala Lumpur
Malaysia
;
data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
rac-(3-Hydroxy-2-phenylpropionato-κO)triphenyltin(IV)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C27 H24 O3 Sn'
_chemical_formula_sum     'C27 H24 O3 Sn'
_chemical_formula_iupac     '[Sn (C6 H5)3 (C9 H9 O3)]'
_chemical_formula_weight     515.15
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.3880(2)
_cell_length_b     9.4899(2)
_cell_length_c     14.3399(2)
_cell_angle_alpha     90.0870(10)
_cell_angle_beta     103.6640(10)
_cell_angle_gamma     112.7580(10)
_cell_volume     1138.58(4)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     9425
_cell_measurement_theta_min     2.3
_cell_measurement_theta_max     32.6
_cell_measurement_temperature     112(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.39
_exptl_crystal_size_mid     0.32
_exptl_crystal_size_min     0.31
_exptl_crystal_density_diffrn     1.503
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     520
_exptl_absorpt_coefficient_mu     1.148
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.663
_exptl_absorpt_correction_T_max     0.717
_diffrn_ambient_temperature     112(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'medium-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEXII'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     33531
_diffrn_reflns_av_R_equivalents     0.0200
_diffrn_reflns_av_sigmaI/netI     0.0135
_diffrn_reflns_theta_min     1.47
_diffrn_reflns_theta_max     30.00
_diffrn_reflns_theta_full     30.00
_diffrn_measured_fraction_theta_max     0.995
_diffrn_measured_fraction_theta_full     0.995
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -19
_diffrn_reflns_limit_l_max     20
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_reflns_number_total     6612
_reflns_number_gt     6339
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0201
_refine_ls_R_factor_gt     0.0188
_refine_ls_wR_factor_gt     0.0493
_refine_ls_wR_factor_ref     0.0536
_refine_ls_goodness_of_fit_ref     1.049
_refine_ls_restrained_S_all     1.049
_refine_ls_number_reflns     6612
_refine_ls_number_parameters     281
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.0304P)²+0.5255P] 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     0.001
_refine_diff_density_max     0.643
_refine_diff_density_min     -0.352
_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'
    'Sn' 'Sn' -0.6537 1.4246
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2004)'
_computing_cell_refinement     'SAINT (Bruker, 2004)'
_computing_data_reduction     'SAINT (Bruker, 2004)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'X-SEED (Barbour, 2001)'
_computing_publication_material     'publCIF (Westrip, 2008)'
loop_
    _atom_site_type_symbol
    _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
    Sn Sn1 0.588742(10) 0.636637(10) 0.826066(6) 0.02043(3) Uani d . 1 . .
    O O1 0.74512(13) 0.76508(12) 0.74695(7) 0.0268(2) Uani d . 1 . .
    O O2 0.52531(13) 0.67054(13) 0.62949(8) 0.0303(2) Uani d . 1 . .
    O O3 0.71606(16) 0.55344(13) 0.51412(10) 0.0394(3) Uani d . 1 . .
    H H3 0.6449 0.4826 0.4734 0.059 Uiso calc R 1 . .
    C C1 0.54423(16) 0.40565(15) 0.78448(9) 0.0222(2) Uani d . 1 . .
    C C2 0.4203(2) 0.28743(18) 0.81068(12) 0.0330(3) Uani d . 1 . .
    H H2 0.3515 0.3111 0.8411 0.040 Uiso calc R 1 . .
    C C3 0.3973(3) 0.1349(2) 0.79226(15) 0.0441(4) Uani d . 1 . .
    H H3A 0.3129 0.0549 0.8102 0.053 Uiso calc R 1 . .
    C C4 0.4965(2) 0.09935(19) 0.74803(13) 0.0400(4) Uani d . 1 . .
    H H4 0.4812 -0.0048 0.7365 0.048 Uiso calc R 1 . .
    C C5 0.6186(2) 0.21545(19) 0.72034(12) 0.0334(3) Uani d . 1 . .
    H H5 0.6856 0.1908 0.6888 0.040 Uiso calc R 1 . .
    C C6 0.64278(18) 0.36822(17) 0.73878(11) 0.0274(3) Uani d . 1 . .
    H H6 0.7269 0.4476 0.7201 0.033 Uiso calc R 1 . .
    C C7 0.38486(17) 0.68487(16) 0.82227(12) 0.0275(3) Uani d . 1 . .
    C C8 0.25851(18) 0.64580(18) 0.73831(13) 0.0333(3) Uani d . 1 . .
    H H8 0.2686 0.6072 0.6802 0.040 Uiso calc R 1 . .
    C C9 0.1186(2) 0.6635(2) 0.74001(16) 0.0425(4) Uani d . 1 . .
    H H9 0.0335 0.6372 0.6831 0.051 Uiso calc R 1 . .
    C C10 0.1040(2) 0.7191(2) 0.82417(19) 0.0480(5) Uani d . 1 . .
    H H10 0.0082 0.7305 0.8252 0.058 Uiso calc R 1 . .
    C C11 0.2273(2) 0.7587(2) 0.90783(18) 0.0458(4) Uani d . 1 . .
    H H11 0.2160 0.7978 0.9655 0.055 Uiso calc R 1 . .
    C C12 0.3687(2) 0.74112(19) 0.90717(14) 0.0358(3) Uani d . 1 . .
    H H12 0.4531 0.7675 0.9644 0.043 Uiso calc R 1 . .
    C C13 0.76077(16) 0.71155(16) 0.96187(10) 0.0231(2) Uani d . 1 . .
    C C14 0.8361(2) 0.61586(19) 1.00105(11) 0.0323(3) Uani d . 1 . .
    H H14 0.8035 0.5161 0.9696 0.039 Uiso calc R 1 . .
    C C15 0.9590(2) 0.6657(2) 1.08601(13) 0.0427(4) Uani d . 1 . .
    H H15 1.0100 0.6001 1.1120 0.051 Uiso calc R 1 . .
    C C16 1.0063(2) 0.8105(2) 1.13220(12) 0.0407(4) Uani d . 1 . .
    H H16 1.0911 0.8451 1.1894 0.049 Uiso calc R 1 . .
    C C17 0.9304(2) 0.9052(2) 1.09543(12) 0.0366(3) Uani d . 1 . .
    H H17 0.9617 1.0038 1.1282 0.044 Uiso calc R 1 . .
    C C18 0.80848(19) 0.85653(17) 1.01073(11) 0.0296(3) Uani d . 1 . .
    H H18 0.7571 0.9223 0.9858 0.036 Uiso calc R 1 . .
    C C19 0.67104(17) 0.73973(16) 0.65568(10) 0.0242(2) Uani d . 1 . .
    C C20 0.77747(17) 0.80071(16) 0.58653(10) 0.0240(2) Uani d . 1 . .
    H H20 0.8833 0.7969 0.6167 0.029 Uiso calc R 1 . .
    C C21 0.7052(2) 0.69608(18) 0.49250(11) 0.0310(3) Uani d . 1 . .
    H H21A 0.5922 0.6808 0.4664 0.037 Uiso calc R 1 . .
    H H21B 0.7649 0.7415 0.4441 0.037 Uiso calc R 1 . .
    C C22 0.80597(18) 0.96785(16) 0.57297(10) 0.0248(3) Uani d . 1 . .
    C C23 0.6983(2) 1.0097(2) 0.50719(13) 0.0394(4) Uani d . 1 . .
    H H23 0.6010 0.9326 0.4703 0.047 Uiso calc R 1 . .
    C C24 0.7320(3) 1.1637(2) 0.49495(15) 0.0481(5) Uani d . 1 . .
    H H24 0.6583 1.1908 0.4490 0.058 Uiso calc R 1 . .
    C C25 0.8706(3) 1.2768(2) 0.54866(16) 0.0439(4) Uani d . 1 . .
    H H25 0.8932 1.3818 0.5399 0.053 Uiso calc R 1 . .
    C C26 0.9769(2) 1.2367(2) 0.61539(17) 0.0444(4) Uani d . 1 . .
    H H26 1.0719 1.3146 0.6538 0.053 Uiso calc R 1 . .
    C C27 0.9458(2) 1.08338(19) 0.62678(13) 0.0348(3) Uani d . 1 . .
    H H27 1.0212 1.0571 0.6719 0.042 Uiso calc R 1 . .
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 O1 . 2.0820(10)
                      yes
    Sn1 C1 . 2.1230(10)
                      yes
    Sn1 C7 . 2.1220(10)
                      yes
    Sn1 C13 . 2.1280(10)
                       yes
    O1 C19 . 1.3016(17) ?
    O2 C19 . 1.2269(18) ?
    O3 C21 . 1.4254(19) ?
    O3 H3 . 0.8400 ?
    C1 C6 . 1.397(2) ?
    C1 C2 . 1.3970(19) ?
    C2 C3 . 1.394(2) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.380(3) ?
    C3 H3A . 0.9500 ?
    C4 C5 . 1.387(3) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.392(2) ?
    C5 H5 . 0.9500 ?
    C6 H6 . 0.9500 ?
    C7 C12 . 1.392(2) ?
    C7 C8 . 1.406(2) ?
    C8 C9 . 1.393(2) ?
    C8 H8 . 0.9500 ?
    C9 C10 . 1.373(3) ?
    C9 H9 . 0.9500 ?
    C10 C11 . 1.388(3) ?
    C10 H10 . 0.9500 ?
    C11 C12 . 1.402(2) ?
    C11 H11 . 0.9500 ?
    C12 H12 . 0.9500 ?
    C13 C18 . 1.399(2) ?
    C13 C14 . 1.397(2) ?
    C14 C15 . 1.397(2) ?
    C14 H14 . 0.9500 ?
    C15 C16 . 1.383(3) ?
    C15 H15 . 0.9500 ?
    C16 C17 . 1.383(3) ?
    C16 H16 . 0.9500 ?
    C17 C18 . 1.390(2) ?
    C17 H17 . 0.9500 ?
    C18 H18 . 0.9500 ?
    C19 C20 . 1.5294(19) ?
    C20 C22 . 1.5240(19) ?
    C20 C21 . 1.519(2) ?
    C20 H20 . 1.0000 ?
    C21 H21A . 0.9900 ?
    C21 H21B . 0.9900 ?
    C22 C23 . 1.389(2) ?
    C22 C27 . 1.388(2) ?
    C23 C24 . 1.392(2) ?
    C23 H23 . 0.9500 ?
    C24 C25 . 1.372(3) ?
    C24 H24 . 0.9500 ?
    C25 C26 . 1.378(3) ?
    C25 H25 . 0.9500 ?
    C26 C27 . 1.387(2) ?
    C26 H26 . 0.9500 ?
    C27 H27 . 0.9500 ?
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
    O1 Sn1 C1 . . 104.08(5) n
    O1 Sn1 C7 . . 117.51(5) n
    O1 Sn1 C13 . . 94.95(5) n
    C1 Sn1 C7 . . 116.29(5) n
    C1 Sn1 C13 . . 109.17(5) n
    C7 Sn1 C13 . . 112.54(6) n
    C19 O1 Sn1 . . 109.50(9) ?
    C21 O3 H3 . . 109.5 ?
    C6 C1 C2 . . 118.99(13) ?
    C6 C1 Sn1 . . 122.04(10) ?
    C2 C1 Sn1 . . 118.77(11) ?
    C3 C2 C1 . . 120.14(15) ?
    C3 C2 H2 . . 119.9 ?
    C1 C2 H2 . . 119.9 ?
    C4 C3 C2 . . 120.38(16) ?
    C4 C3 H3A . . 119.8 ?
    C2 C3 H3A . . 119.8 ?
    C3 C4 C5 . . 120.09(15) ?
    C3 C4 H4 . . 120.0 ?
    C5 C4 H4 . . 120.0 ?
    C6 C5 C4 . . 119.92(15) ?
    C6 C5 H5 . . 120.0 ?
    C4 C5 H5 . . 120.0 ?
    C5 C6 C1 . . 120.48(14) ?
    C5 C6 H6 . . 119.8 ?
    C1 C6 H6 . . 119.8 ?
    C12 C7 C8 . . 119.39(15) ?
    C12 C7 Sn1 . . 119.13(12) ?
    C8 C7 Sn1 . . 121.13(12) ?
    C9 C8 C7 . . 120.32(17) ?
    C9 C8 H8 . . 119.8 ?
    C7 C8 H8 . . 119.8 ?
    C10 C9 C8 . . 119.76(18) ?
    C10 C9 H9 . . 120.1 ?
    C8 C9 H9 . . 120.1 ?
    C11 C10 C9 . . 120.90(17) ?
    C11 C10 H10 . . 119.5 ?
    C9 C10 H10 . . 119.5 ?
    C10 C11 C12 . . 119.91(19) ?
    C10 C11 H11 . . 120.0 ?
    C12 C11 H11 . . 120.0 ?
    C7 C12 C11 . . 119.71(18) ?
    C7 C12 H12 . . 120.1 ?
    C11 C12 H12 . . 120.1 ?
    C18 C13 C14 . . 118.58(14) ?
    C18 C13 Sn1 . . 122.64(11) ?
    C14 C13 Sn1 . . 118.67(11) ?
    C15 C14 C13 . . 120.55(16) ?
    C15 C14 H14 . . 119.7 ?
    C13 C14 H14 . . 119.7 ?
    C16 C15 C14 . . 119.92(17) ?
    C16 C15 H15 . . 120.0 ?
    C14 C15 H15 . . 120.0 ?
    C15 C16 C17 . . 120.18(16) ?
    C15 C16 H16 . . 119.9 ?
    C17 C16 H16 . . 119.9 ?
    C18 C17 C16 . . 120.14(16) ?
    C18 C17 H17 . . 119.9 ?
    C16 C17 H17 . . 119.9 ?
    C17 C18 C13 . . 120.60(15) ?
    C17 C18 H18 . . 119.7 ?
    C13 C18 H18 . . 119.7 ?
    O2 C19 O1 . . 120.51(13) ?
    O2 C19 C20 . . 123.92(13) ?
    O1 C19 C20 . . 115.57(12) ?
    C22 C20 C21 . . 113.37(12) ?
    C22 C20 C19 . . 110.50(11) ?
    C21 C20 C19 . . 109.60(12) ?
    C22 C20 H20 . . 107.7 ?
    C21 C20 H20 . . 107.7 ?
    C19 C20 H20 . . 107.7 ?
    O3 C21 C20 . . 106.66(13) ?
    O3 C21 H21A . . 110.4 ?
    C20 C21 H21A . . 110.4 ?
    O3 C21 H21B . . 110.4 ?
    C20 C21 H21B . . 110.4 ?
    H21A C21 H21B . . 108.6 ?
    C23 C22 C27 . . 118.32(14) ?
    C23 C22 C20 . . 122.50(14) ?
    C27 C22 C20 . . 119.17(14) ?
    C22 C23 C24 . . 120.45(17) ?
    C22 C23 H23 . . 119.8 ?
    C24 C23 H23 . . 119.8 ?
    C25 C24 C23 . . 120.65(18) ?
    C25 C24 H24 . . 119.7 ?
    C23 C24 H24 . . 119.7 ?
    C24 C25 C26 . . 119.37(16) ?
    C24 C25 H25 . . 120.3 ?
    C26 C25 H25 . . 120.3 ?
    C25 C26 C27 . . 120.40(18) ?
    C25 C26 H26 . . 119.8 ?
    C27 C26 H26 . . 119.8 ?
    C26 C27 C22 . . 120.79(17) ?
    C26 C27 H27 . . 119.6 ?
    C22 C27 H27 . . 119.6 ?
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
    C1 Sn1 O1 C19 . . . . 67.61(10) ?
    C7 Sn1 O1 C19 . . . . -62.58(11) ?
    C13 Sn1 O1 C19 . . . . 178.80(10) ?
    O1 Sn1 C1 C6 . . . . 17.13(12) ?
    C7 Sn1 C1 C6 . . . . 148.04(11) ?
    C13 Sn1 C1 C6 . . . . -83.32(12) ?
    O1 Sn1 C1 C2 . . . . -168.17(11) ?
    C7 Sn1 C1 C2 . . . . -37.26(13) ?
    C13 Sn1 C1 C2 . . . . 91.39(12) ?
    C6 C1 C2 C3 . . . . 0.7(2) ?
    Sn1 C1 C2 C3 . . . . -174.13(14) ?
    C1 C2 C3 C4 . . . . 0.0(3) ?
    C2 C3 C4 C5 . . . . -0.9(3) ?
    C3 C4 C5 C6 . . . . 1.1(3) ?
    C4 C5 C6 C1 . . . . -0.4(2) ?
    C2 C1 C6 C5 . . . . -0.5(2) ?
    Sn1 C1 C6 C5 . . . . 174.18(11) ?
    O1 Sn1 C7 C12 . . . . -116.37(12) ?
    C1 Sn1 C7 C12 . . . . 119.36(12) ?
    C13 Sn1 C7 C12 . . . . -7.63(14) ?
    O1 Sn1 C7 C8 . . . . 70.48(13) ?
    C1 Sn1 C7 C8 . . . . -53.78(13) ?
    C13 Sn1 C7 C8 . . . . 179.23(11) ?
    C12 C7 C8 C9 . . . . 0.1(2) ?
    Sn1 C7 C8 C9 . . . . 173.25(12) ?
    C7 C8 C9 C10 . . . . -0.1(3) ?
    C8 C9 C10 C11 . . . . 0.3(3) ?
    C9 C10 C11 C12 . . . . -0.5(3) ?
    C8 C7 C12 C11 . . . . -0.3(2) ?
    Sn1 C7 C12 C11 . . . . -173.55(13) ?
    C10 C11 C12 C7 . . . . 0.5(3) ?
    O1 Sn1 C13 C18 . . . . 76.74(12) ?
    C1 Sn1 C13 C18 . . . . -176.49(11) ?
    C7 Sn1 C13 C18 . . . . -45.80(13) ?
    O1 Sn1 C13 C14 . . . . -99.31(12) ?
    C1 Sn1 C13 C14 . . . . 7.46(13) ?
    C7 Sn1 C13 C14 . . . . 138.15(12) ?
    C18 C13 C14 C15 . . . . -1.5(2) ?
    Sn1 C13 C14 C15 . . . . 174.73(14) ?
    C13 C14 C15 C16 . . . . 0.3(3) ?
    C14 C15 C16 C17 . . . . 1.1(3) ?
    C15 C16 C17 C18 . . . . -1.4(3) ?
    C16 C17 C18 C13 . . . . 0.2(2) ?
    C14 C13 C18 C17 . . . . 1.2(2) ?
    Sn1 C13 C18 C17 . . . . -174.81(12) ?
    Sn1 O1 C19 O2 . . . . 11.24(16) ?
    Sn1 O1 C19 C20 . . . . -168.49(9) ?
    O2 C19 C20 C22 . . . . 93.95(17) ?
    O1 C19 C20 C22 . . . . -86.33(15) ?
    O2 C19 C20 C21 . . . . -31.69(19) ?
    O1 C19 C20 C21 . . . . 148.03(13) ?
    C22 C20 C21 O3 . . . . 168.43(12) ?
    C19 C20 C21 O3 . . . . -67.59(15) ?
    C21 C20 C22 C23 . . . . 39.8(2) ?
    C19 C20 C22 C23 . . . . -83.70(18) ?
    C21 C20 C22 C27 . . . . -138.98(15) ?
    C19 C20 C22 C27 . . . . 97.53(16) ?
    C27 C22 C23 C24 . . . . 1.0(3) ?
    C20 C22 C23 C24 . . . . -177.80(17) ?
    C22 C23 C24 C25 . . . . -1.1(3) ?
    C23 C24 C25 C26 . . . . -0.1(3) ?
    C24 C25 C26 C27 . . . . 1.4(3) ?
    C25 C26 C27 C22 . . . . -1.5(3) ?
    C23 C22 C27 C26 . . . . 0.3(3) ?
    C20 C22 C27 C26 . . . . 179.09(15) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    O3 H3 O2 2_666 0.84 1.98 2.819(2) 175 y
