#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/16/2201680.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2201680
loop_
_publ_author_name
'Hans, Karm'
'Parvez, Masood'
'Ahmad, Fiaz'
'Ali, Saqib'
'Mazhar, Muhammad'
'Munir, Arshad'
_publ_section_title
Di-n-butylbis(2',4'-difluoro-4-hydroxybiphenyl-3-carboxylato-O,O')tin(IV)
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m441
_journal_page_last               m443
_journal_paper_doi               10.1107/S1600536802012655
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Sn (C4 H9)2 (C13 H7 F2 O3)2]'
_chemical_formula_moiety         'C34 H32 F4 O6 Sn'
_chemical_formula_sum            'C34 H32 F4 O6 Sn'
_chemical_formula_weight         731.29
_chemical_name_common
;
Di-n-butylbis(2',4'-difluoro-4-hydroxybiphenyl-3-carboxylato-O,O')tin(IV)
;
_chemical_name_systematic
;
Di-n-butylbis(2',4'-difluoro-4-hydroxybiphenyl-3-carboxylato-O,O')tin(IV)
;
_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                 98.0917(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.36760(10)
_cell_length_b                   9.22780(10)
_cell_length_c                   33.3643(5)
_cell_measurement_reflns_used    12703
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.0
_cell_volume                     3160.19(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      170(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'ω and φ'
_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  0.028
_diffrn_reflns_av_sigmaI/netI    0.048
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            12703
_diffrn_reflns_theta_full        27.40
_diffrn_reflns_theta_max         27.4
_diffrn_reflns_theta_min         1.2
_diffrn_standards_decay_%        ' < 0.1 '
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.876
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.879
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.833
_refine_diff_density_min         -0.668
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         6945
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0497
_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/[σ²(Fo²)+(0.075P)²+5.5P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1398
_refine_ls_wR_factor_ref         0.1477
_reflns_number_gt                5776
_reflns_number_total             6945
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ww6028.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

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

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2201680
_cod_database_fobs_code          2201680
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'
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 0.67984(3) 0.33183(3) 0.071834(8) 0.03496(12) Uani d . 1 . . Sn
O1 0.5688(3) 0.3806(4) 0.11788(9) 0.0393(7) Uani d . 1 . . O
O2 0.4269(3) 0.4063(4) 0.06245(9) 0.0459(8) Uani d . 1 . . O
O3 0.1926(3) 0.5048(5) 0.06815(9) 0.0512(9) Uani d . 1 . . O
H3 0.2560 0.4847 0.0560 0.077 Uiso calc R 1 . . H
O4 0.8196(3) 0.3062(3) 0.12343(9) 0.0365(7) Uani d . 1 . . O
O5 0.9149(3) 0.2445(4) 0.07122(9) 0.0439(8) Uani d . 1 . . O
O6 1.1496(4) 0.1297(5) 0.08294(12) 0.0620(11) Uani d . 1 . . O
H6 1.0810 0.1611 0.0693 0.093 Uiso calc R 1 . . H
F1 0.2407(5) 0.7550(5) 0.24465(16) 0.0476(14) Uani d PD 0.50 A 1 F
F1' 0.4536(6) 0.3052(5) 0.24164(18) 0.0545(15) Uani d PD 0.50 A 2 F
F2 0.4238(3) 0.5263(5) 0.36243(9) 0.0779(12) Uani d . 1 A . F
F3 1.0329(5) 0.4270(5) 0.24355(15) 0.0456(13) Uani d PD 0.50 B 1 F
F3' 1.2614(6) -0.0120(6) 0.27009(19) 0.0616(17) Uani d PD 0.50 B 2 F
F4 1.1577(4) 0.2725(5) 0.37427(10) 0.0766(10) Uani d . 1 B . F
C1 0.6299(5) 0.1230(6) 0.04806(14) 0.0430(11) Uani d . 1 . . C
H1A 0.6749 0.0488 0.0664 0.052 Uiso calc R 1 . . H
H1B 0.5349 0.1082 0.0470 0.052 Uiso calc R 1 . . H
C2 0.6670(4) 0.1022(5) 0.00557(13) 0.0406(10) Uani d . 1 . . C
H2A 0.7618 0.1190 0.0067 0.049 Uiso calc R 1 . . H
H2B 0.6492 0.0005 -0.0029 0.049 Uiso calc R 1 . . H
C3 0.5949(5) 0.2017(5) -0.02604(14) 0.0459(12) Uani d . 1 . . C
H3A 0.6173 0.3034 -0.0186 0.055 Uiso calc R 1 . . H
H3B 0.5001 0.1895 -0.0260 0.055 Uiso calc R 1 . . H
C4 0.6265(7) 0.1734(7) -0.06853(16) 0.0599(15) Uani d . 1 . . C
H4A 0.5785 0.2422 -0.0875 0.090 Uiso calc R 1 . . H
H4B 0.6010 0.0742 -0.0767 0.090 Uiso calc R 1 . . H
H4C 0.7202 0.1855 -0.0688 0.090 Uiso calc R 1 . . H
C5 0.7022(4) 0.5391(5) 0.04660(14) 0.0428(11) Uani d D 1 . . C
H5A 0.6430 0.5453 0.0207 0.051 Uiso calc R 1 . . H
H5B 0.6731 0.6125 0.0650 0.051 Uiso calc R 1 . . H
C6 0.8383(4) 0.5799(5) 0.03869(15) 0.0469(12) Uani d D 1 . . C
H6A 0.9007 0.5683 0.0638 0.056 Uiso calc R 1 . . H
H6B 0.8657 0.5150 0.0178 0.056 Uiso calc R 1 . . H
C7 0.8390(5) 0.7360(7) 0.02438(18) 0.0610(15) Uani d D 1 . . C
H7A 0.7904 0.7422 -0.0033 0.073 Uiso calc R 1 . . H
H7B 0.7929 0.7968 0.0423 0.073 Uiso calc R 1 . . H
C8 0.9747(6) 0.7957(8) 0.0241(3) 0.088(2) Uani d D 1 . . C
H8A 0.9690 0.8925 0.0119 0.132 Uiso calc R 1 . . H
H8B 1.0235 0.7314 0.0083 0.132 Uiso calc R 1 . . H
H8C 1.0195 0.8021 0.0520 0.132 Uiso calc R 1 . . H
C9 0.4536(4) 0.4167(5) 0.10005(13) 0.0382(10) Uani d . 1 . . C
C10 0.3590(4) 0.4700(5) 0.12576(13) 0.0334(9) Uani d . 1 . . C
C11 0.2337(4) 0.5136(5) 0.10830(13) 0.0377(10) Uani d . 1 . . C
C12 0.1497(4) 0.5694(5) 0.13323(14) 0.0408(10) Uani d . 1 . . C
H12 0.0661 0.6031 0.1217 0.049 Uiso calc R 1 . . H
C13 0.1856(4) 0.5769(5) 0.17433(14) 0.0371(10) Uani d . 1 . . C
H13 0.1257 0.6138 0.1908 0.044 Uiso calc R 1 . . H
C14 0.3095(4) 0.5309(4) 0.19248(12) 0.0312(9) Uani d . 1 . . C
C15 0.3943(4) 0.4785(5) 0.16778(12) 0.0320(9) Uani d . 1 . . C
H15 0.4786 0.4474 0.1795 0.038 Uiso calc R 1 . . H
C16 0.3444(4) 0.5313(5) 0.23746(12) 0.0318(9) Uani d . 1 A . C
C17 0.3069(4) 0.6414(5) 0.26151(14) 0.0394(10) Uani d D 1 . . C
H17 0.2602 0.7207 0.2484 0.047 Uiso d P 0.50 . . H
C18 0.3325(5) 0.6440(6) 0.30303(15) 0.0494(13) Uani d . 1 A . C
H18 0.3049 0.7224 0.3182 0.059 Uiso calc R 1 . . H
C19 0.3990(4) 0.5295(7) 0.32144(14) 0.0487(13) Uani d . 1 . . C
C20 0.4421(4) 0.4160(6) 0.30000(15) 0.0470(12) Uani d . 1 A . C
H20 0.4894 0.3371 0.3132 0.056 Uiso calc R 1 . . H
C21 0.4132(4) 0.4225(4) 0.25889(14) 0.0375(10) Uani d D 1 . . C
H21 0.4434 0.3454 0.2438 0.045 Uiso d P 0.50 . . H
C22 0.9192(4) 0.2558(5) 0.10911(14) 0.0371(10) Uani d . 1 . . C
C23 1.0330(4) 0.2077(5) 0.13726(14) 0.0359(10) Uani d . 1 . . C
C24 1.1418(5) 0.1451(5) 0.12266(16) 0.0439(11) Uani d . 1 . . C
C25 1.2464(5) 0.0992(6) 0.15055(17) 0.0522(13) Uani d . 1 . . C
H25 1.3197 0.0559 0.1411 0.063 Uiso calc R 1 . . H
C26 1.2455(4) 0.1154(6) 0.19142(17) 0.0498(13) Uani d . 1 . . C
H26 1.3180 0.0823 0.2097 0.060 Uiso calc R 1 . . H
C27 1.1398(4) 0.1798(5) 0.20687(14) 0.0353(9) Uani d . 1 . . C
C28 1.0341(4) 0.2237(5) 0.17911(13) 0.0325(9) Uani d . 1 . . C
H28 0.9607 0.2656 0.1888 0.039 Uiso calc R 1 . . H
C29 1.1419(4) 0.2016(4) 0.25104(14) 0.0339(9) Uani d . 1 B . C
C30 1.0871(4) 0.3204(4) 0.26718(14) 0.0366(10) Uani d D 1 . . C
H30 1.0440 0.3893 0.2488 0.044 Uiso d P 0.50 . . H
C31 1.0900(5) 0.3469(6) 0.30785(16) 0.0482(12) Uani d . 1 B . C
H31 1.0505 0.4306 0.3174 0.058 Uiso calc R 1 . . H
C32 1.1525(5) 0.2468(7) 0.33397(15) 0.0532(14) Uani d . 1 . . C
C33 1.2088(5) 0.1258(7) 0.32107(17) 0.0568(15) Uani d . 1 B . C
H33 1.2517 0.0571 0.3396 0.068 Uiso calc R 1 . . H
C34 1.2005(5) 0.1078(5) 0.28005(16) 0.0456(12) Uani d D 1 . . C
H34 1.2388 0.0227 0.2708 0.055 Uiso d P 0.50 . . H
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'
F F 0.0171 0.0103 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
O1 Sn1 O4 79.05(11) y
O1 Sn1 C5 101.55(15) y
O4 Sn1 C5 109.03(15) y
O1 Sn1 C1 109.83(17) y
O4 Sn1 C1 107.93(16) y
C5 Sn1 C1 135.04(18) y
O1 Sn1 O5 133.88(10) y
O4 Sn1 O5 54.97(11) y
C5 Sn1 O5 97.07(14) y
C1 Sn1 O5 83.90(16) y
O1 Sn1 O2 53.28(10) y
O4 Sn1 O2 132.33(10) y
C5 Sn1 O2 83.23(14) y
C1 Sn1 O2 90.36(16) y
O5 Sn1 O2 172.17(10) y
C9 O1 Sn1 106.5(3) y
C9 O2 Sn1 80.1(2) y
C11 O3 H3 109.5 n
C22 O4 Sn1 103.5(3) y
C22 O5 Sn1 82.3(2) y
C24 O6 H6 109.5 n
C2 C1 Sn1 112.3(3) n
C2 C1 H1A 109.1 n
Sn1 C1 H1A 109.1 n
C2 C1 H1B 109.1 n
Sn1 C1 H1B 109.1 n
H1A C1 H1B 107.9 n
C3 C2 C1 113.9(4) n
C3 C2 H2A 108.8 n
C1 C2 H2A 108.8 n
C3 C2 H2B 108.8 n
C1 C2 H2B 108.8 n
H2A C2 H2B 107.7 n
C2 C3 C4 113.3(4) n
C2 C3 H3A 108.9 n
C4 C3 H3A 108.9 n
C2 C3 H3B 108.9 n
C4 C3 H3B 108.9 n
H3A C3 H3B 107.7 n
C3 C4 H4A 109.5 n
C3 C4 H4B 109.5 n
H4A C4 H4B 109.5 n
C3 C4 H4C 109.5 n
H4A C4 H4C 109.5 n
H4B C4 H4C 109.5 n
C6 C5 Sn1 116.7(3) n
C6 C5 H5A 108.1 n
Sn1 C5 H5A 108.1 n
C6 C5 H5B 108.1 n
Sn1 C5 H5B 108.1 n
H5A C5 H5B 107.3 n
C7 C6 C5 109.6(4) n
C7 C6 H6A 109.8 n
C5 C6 H6A 109.8 n
C7 C6 H6B 109.8 n
C5 C6 H6B 109.8 n
H6A C6 H6B 108.2 n
C8 C7 C6 113.2(5) n
C8 C7 H7A 108.9 n
C6 C7 H7A 108.9 n
C8 C7 H7B 108.9 n
C6 C7 H7B 108.9 n
H7A C7 H7B 107.8 n
C7 C8 H8A 109.5 n
C7 C8 H8B 109.5 n
H8A C8 H8B 109.5 n
C7 C8 H8C 109.5 n
H8A C8 H8C 109.5 n
H8B C8 H8C 109.5 n
O2 C9 O1 119.9(4) n
O2 C9 C10 122.6(4) n
O1 C9 C10 117.5(4) n
C15 C10 C11 119.6(4) n
C15 C10 C9 120.0(4) n
C11 C10 C9 120.4(4) n
O3 C11 C12 118.8(4) n
O3 C11 C10 122.5(4) n
C12 C11 C10 118.7(4) n
C13 C12 C11 120.9(4) n
C13 C12 H12 119.5 n
C11 C12 H12 119.5 n
C12 C13 C14 121.2(4) n
C12 C13 H13 119.4 n
C14 C13 H13 119.4 n
C15 C14 C13 118.1(4) n
C15 C14 C16 121.2(4) n
C13 C14 C16 120.6(4) n
C14 C15 C10 121.4(4) n
C14 C15 H15 119.3 n
C10 C15 H15 119.3 n
C21 C16 C17 113.7(4) n
C21 C16 C14 123.8(4) n
C17 C16 C14 122.4(4) n
F1 C17 C18 115.2(5) n
F1 C17 C16 120.2(4) n
C18 C17 C16 124.6(4) n
C18 C17 H17 117.7 n
C16 C17 H17 117.8 n
C19 C18 C17 117.1(5) n
C19 C18 H18 121.5 n
C17 C18 H18 121.5 n
F2 C19 C18 119.0(5) n
F2 C19 C20 118.6(5) n
C18 C19 C20 122.5(4) n
C21 C20 C19 116.6(5) n
C21 C20 H20 121.7 n
C19 C20 H20 121.7 n
F1' C21 C20 111.3(5) n
F1' C21 C16 123.1(5) n
C20 C21 C16 125.5(4) n
C20 C21 H21 117.2 n
C16 C21 H21 117.3 n
O5 C22 O4 119.0(4) n
O5 C22 C23 121.8(4) n
O4 C22 C23 119.1(4) n
C28 C23 C24 119.4(4) n
C28 C23 C22 119.9(4) n
C24 C23 C22 120.7(4) n
O6 C24 C25 118.5(4) n
O6 C24 C23 122.9(4) n
C25 C24 C23 118.6(5) n
C26 C25 C24 121.1(4) n
C26 C25 H25 119.4 n
C24 C25 H25 119.4 n
C25 C26 C27 121.6(4) n
C25 C26 H26 119.2 n
C27 C26 H26 119.2 n
C28 C27 C26 117.4(4) n
C28 C27 C29 121.4(4) n
C26 C27 C29 121.2(4) n
C27 C28 C23 121.8(4) n
C27 C28 H28 119.1 n
C23 C28 H28 119.1 n
C34 C29 C30 113.0(4) n
C34 C29 C27 123.9(4) n
C30 C29 C27 123.1(4) n
F3 C30 C31 113.7(5) n
F3 C30 C29 121.2(5) n
C31 C30 C29 125.0(4) n
C31 C30 H30 117.4 n
C29 C30 H30 117.5 n
C32 C31 C30 116.8(5) n
C32 C31 H31 121.6 n
C30 C31 H31 121.6 n
C33 C32 F4 119.8(5) n
C33 C32 C31 122.7(5) n
F4 C32 C31 117.5(6) n
C32 C33 C34 116.5(5) n
C32 C33 H33 121.7 n
C34 C33 H33 121.7 n
F3' C34 C33 112.5(5) n
F3' C34 C29 121.5(5) n
C33 C34 C29 126.0(5) n
C33 C34 H34 116.9 n
C29 C34 H34 117.1 n
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 . 2.095(3) y
Sn1 O4 . 2.101(3) y
Sn1 C5 . 2.116(5) y
Sn1 C1 . 2.120(5) y
Sn1 O5 . 2.570(3) y
Sn1 O2 . 2.686(3) y
O1 C9 . 1.300(5) y
O2 C9 . 1.250(5) y
O3 C11 . 1.350(5) y
O3 H3 . 0.8400 n
O4 C22 . 1.285(5) y
O5 C22 . 1.263(5) y
O6 C24 . 1.346(6) y
O6 H6 . 0.8400 n
F1 C17 . 1.334(4) n
F1' C21 . 1.321(4) n
F2 C19 . 1.356(5) n
F3 C30 . 1.334(4) n
F3' C34 . 1.338(4) n
F4 C32 . 1.359(6) n
C1 C2 . 1.532(6) n
C1 H1A . 0.9900 n
C1 H1B . 0.9900 n
C2 C3 . 1.514(7) n
C2 H2A . 0.9900 n
C2 H2B . 0.9900 n
C3 C4 . 1.521(7) n
C3 H3A . 0.9900 n
C3 H3B . 0.9900 n
C4 H4A . 0.9800 n
C4 H4B . 0.9800 n
C4 H4C . 0.9800 n
C5 C6 . 1.518(5) n
C5 H5A . 0.9900 n
C5 H5B . 0.9900 n
C6 C7 . 1.518(8) n
C6 H6A . 0.9900 n
C6 H6B . 0.9900 n
C7 C8 . 1.513(5) n
C7 H7A . 0.9900 n
C7 H7B . 0.9900 n
C8 H8A . 0.9800 n
C8 H8B . 0.9800 n
C8 H8C . 0.9800 n
C9 C10 . 1.475(6) n
C10 C15 . 1.400(6) n
C10 C11 . 1.406(5) n
C11 C12 . 1.385(6) n
C12 C13 . 1.371(6) n
C12 H12 . 0.9500 n
C13 C14 . 1.406(6) n
C13 H13 . 0.9500 n
C14 C15 . 1.375(6) n
C14 C16 . 1.493(6) n
C15 H15 . 0.9500 n
C16 C21 . 1.373(6) n
C16 C17 . 1.384(6) n
C17 C18 . 1.373(7) n
C17 H17 . 0.9498 n
C18 C19 . 1.361(8) n
C18 H18 . 0.9500 n
C19 C20 . 1.378(8) n
C20 C21 . 1.363(6) n
C20 H20 . 0.9500 n
C21 H21 . 0.9491 n
C22 C23 . 1.469(6) n
C23 C28 . 1.403(6) n
C23 C24 . 1.414(6) n
C24 C25 . 1.392(7) n
C25 C26 . 1.373(7) n
C25 H25 . 0.9500 n
C26 C27 . 1.407(7) n
C26 H26 . 0.9500 n
C27 C28 . 1.392(6) n
C27 C29 . 1.484(6) n
C28 H28 . 0.9500 n
C29 C34 . 1.375(6) n
C29 C30 . 1.379(6) n
C30 C31 . 1.375(7) n
C30 H30 . 0.9496 n
C31 C32 . 1.368(8) n
C31 H31 . 0.9500 n
C32 C33 . 1.358(9) n
C33 C34 . 1.369(8) n
C33 H33 . 0.9500 n
C34 H34 . 0.9505 n
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O3 H3 O2 0.84 1.90 2.626(4) 144
O6 H6 O5 0.84 1.89 2.631(5) 146
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
_geom_torsion_publ_flag
O4 Sn1 O1 C9 177.2(3) n
C5 Sn1 O1 C9 69.7(3) n
C1 Sn1 O1 C9 -77.6(3) n
O5 Sn1 O1 C9 -178.5(3) n
O2 Sn1 O1 C9 -2.7(3) n
O1 Sn1 O2 C9 2.7(3) n
O4 Sn1 O2 C9 2.5(4) n
C5 Sn1 O2 C9 -107.2(3) n
C1 Sn1 O2 C9 117.4(3) n
O1 Sn1 O4 C22 173.7(3) n
C5 Sn1 O4 C22 -87.8(3) n
C1 Sn1 O4 C22 66.2(3) n
O5 Sn1 O4 C22 -2.5(3) n
O2 Sn1 O4 C22 173.9(3) n
O1 Sn1 O5 C22 -2.7(4) n
O4 Sn1 O5 C22 2.5(3) n
C5 Sn1 O5 C22 110.8(3) n
C1 Sn1 O5 C22 -114.4(3) n
O1 Sn1 C1 C2 159.0(3) n
O4 Sn1 C1 C2 -116.5(3) n
C5 Sn1 C1 C2 27.5(5) n
O5 Sn1 C1 C2 -66.4(3) n
O2 Sn1 C1 C2 108.3(3) n
Sn1 C1 C2 C3 -63.8(5) n
C1 C2 C3 C4 -176.4(4) n
O1 Sn1 C5 C6 133.7(3) n
O4 Sn1 C5 C6 51.4(4) n
C1 Sn1 C5 C6 -92.3(4) n
O5 Sn1 C5 C6 -3.9(4) n
O2 Sn1 C5 C6 -176.0(4) n
Sn1 C5 C6 C7 -174.8(3) n
C5 C6 C7 C8 168.0(6) n
Sn1 O2 C9 O1 -4.0(4) n
Sn1 O2 C9 C10 175.6(5) n
Sn1 O1 C9 O2 5.3(6) n
Sn1 O1 C9 C10 -174.3(3) n
O2 C9 C10 C15 179.6(5) n
O1 C9 C10 C15 -0.8(7) n
O2 C9 C10 C11 -0.9(7) n
O1 C9 C10 C11 178.7(4) n
C15 C10 C11 O3 -178.3(4) n
C9 C10 C11 O3 2.2(7) n
C15 C10 C11 C12 2.5(7) n
C9 C10 C11 C12 -177.0(4) n
O3 C11 C12 C13 178.2(5) n
C10 C11 C12 C13 -2.6(7) n
C11 C12 C13 C14 1.3(7) n
C12 C13 C14 C15 0.2(7) n
C12 C13 C14 C16 -176.3(4) n
C13 C14 C15 C10 -0.3(6) n
C16 C14 C15 C10 176.2(4) n
C11 C10 C15 C14 -1.0(7) n
C9 C10 C15 C14 178.4(4) n
C15 C14 C16 C21 -37.7(6) n
C13 C14 C16 C21 138.8(4) n
C15 C14 C16 C17 143.9(4) n
C13 C14 C16 C17 -39.6(6) n
C21 C16 C17 F1 179.2(5) n
C14 C16 C17 F1 -2.3(7) n
C21 C16 C17 C18 -1.1(7) n
C14 C16 C17 C18 177.5(4) n
F1 C17 C18 C19 179.6(5) n
C16 C17 C18 C19 -0.2(7) n
C17 C18 C19 F2 -178.6(4) n
C17 C18 C19 C20 1.2(7) n
F2 C19 C20 C21 179.0(4) n
C18 C19 C20 C21 -0.8(7) n
C19 C20 C21 F1' -177.0(5) n
C19 C20 C21 C16 -0.7(7) n
C17 C16 C21 F1' 177.4(5) n
C14 C16 C21 F1' -1.1(7) n
C17 C16 C21 C20 1.6(6) n
C14 C16 C21 C20 -177.0(4) n
Sn1 O5 C22 O4 -3.8(4) n
Sn1 O5 C22 C23 173.8(4) n
Sn1 O4 C22 O5 4.8(5) n
Sn1 O4 C22 C23 -172.9(4) n
O5 C22 C23 C28 179.4(4) n
O4 C22 C23 C28 -3.0(7) n
O5 C22 C23 C24 -0.7(7) n
O4 C22 C23 C24 176.9(4) n
C28 C23 C24 O6 -178.2(5) n
C22 C23 C24 O6 1.9(8) n
C28 C23 C24 C25 0.9(7) n
C22 C23 C24 C25 -179.0(5) n
O6 C24 C25 C26 178.4(5) n
C23 C24 C25 C26 -0.8(8) n
C24 C25 C26 C27 -0.5(9) n
C25 C26 C27 C28 1.5(8) n
C25 C26 C27 C29 -177.7(5) n
C26 C27 C28 C23 -1.3(7) n
C29 C27 C28 C23 177.9(4) n
C24 C23 C28 C27 0.1(7) n
C22 C23 C28 C27 -179.9(4) n
C28 C27 C29 C34 146.3(5) n
C26 C27 C29 C34 -34.4(7) n
C28 C27 C29 C30 -35.0(6) n
C26 C27 C29 C30 144.3(5) n
C34 C29 C30 F3 175.9(5) n
C27 C29 C30 F3 -2.9(7) n
C34 C29 C30 C31 0.7(6) n
C27 C29 C30 C31 -178.1(4) n
F3 C30 C31 C32 -175.5(5) n
C29 C30 C31 C32 0.0(7) n
C30 C31 C32 C33 -0.5(8) n
C30 C31 C32 F4 179.1(4) n
F4 C32 C33 C34 -179.5(5) n
C31 C32 C33 C34 0.1(8) n
C32 C33 C34 F3' 178.4(6) n
C32 C33 C34 C29 0.8(8) n
C30 C29 C34 F3' -178.6(5) n
C27 C29 C34 F3' 0.2(8) n
C30 C29 C34 C33 -1.1(7) n
C27 C29 C34 C33 177.6(5) n
