#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/08/2200855.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_2200855
loop_
_publ_author_name
'Coles, Simon J.'
'Hibbs, David E.'
'Hursthouse, Michael B.'
'Beckett, Michael A.'
'Owen, Paul'
'Varma, K. Sukumar'
_publ_section_title
;
 Bis(triphenylstannyl)borate toluene solvate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m65
_journal_page_last               m67
_journal_paper_doi               10.1107/S1600536802001642
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Sn3 (C6 H5)6 (B H O3)], C7 H8'
_chemical_formula_moiety         'C36 H31 B O3 Sn2, C7 H8'
_chemical_formula_sum            'C43 H39 B O3 Sn2'
_chemical_formula_weight         851.93
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 100.50(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.344(3)
_cell_length_b                   19.129(6)
_cell_length_c                   22.252(5)
_cell_measurement_reflns_used    250
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.84
_cell_measurement_theta_min      1.91
_cell_volume                     7678(3)
_computing_cell_refinement       'REFINE in MADNES'
_computing_data_collection       'MADNES (Pflugrath & Messerschmidt, 1989)'
_computing_data_reduction        MADNES
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measurement_device       'Nonius FAST TV area-detector'
_diffrn_measurement_method       'φ and ω scans (Darr et al, 1993)'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .0611
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14161
_diffrn_reflns_theta_max         24.84
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    1.338
_exptl_absorpt_correction_T_max  .900
_exptl_absorpt_correction_T_min  .795
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   '(DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             3408
_exptl_crystal_size_max          .22
_exptl_crystal_size_mid          .2
_exptl_crystal_size_min          .08
_refine_diff_density_max         .873
_refine_diff_density_min         -.501
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .877
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         5411
_refine_ls_number_restraints     78
_refine_ls_restrained_S_all      .88
_refine_ls_R_factor_gt           .0326
_refine_ls_shift/su_max          .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.029P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          .0717
_refine_ls_wR_factor_ref         .0780
_reflns_number_gt                3152
_reflns_number_total             5411
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cf6144.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2200855
_cod_database_fobs_code          2200855
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_group
_atom_site_type_symbol
Sn1 .356546(16) .25210(2) .410033(14) .02550(11) Uani d . 1 . Sn
Sn2 .624654(16) .25104(2) .402890(14) .02675(11) Uani d . 1 . Sn
O1 .45949(16) .25354(18) .39224(14) .0292(7) Uani d . 1 . O
O2 .54610(16) .25078(18) .32597(14) .0278(7) Uani d . 1 . O
O3 .41515(16) .2539(2) .28627(14) .0329(8) Uani d . 1 . O
H3 .4312 .2526 .2542 .049 Uiso calc R 1 . H
B1 .4728(3) .2535(3) .3344(3) .0257(12) Uani d . 1 . B
C1 .3078(3) .1549(3) .3791(3) .0272(14) Uani d . 1 . C
C2 .3471(3) .1077(3) .3505(3) .0429(16) Uani d . 1 . C
H2 .3951 .1182 .3455 .051 Uiso calc R 1 . H
C3 .3145(4) .0437(3) .3287(3) .0523(18) Uani d . 1 . C
H3A .341 .012 .3094 .063 Uiso calc R 1 . H
C4 .2423(4) .0280(3) .3362(3) .061(2) Uani d . 1 . C
H4 .2203 -.014 .3216 .073 Uiso calc R 1 . H
C5 .2049(4) .0742(3) .3649(3) .065(2) Uani d . 1 . C
H5 .157 .0638 .3703 .078 Uiso calc R 1 . H
C6 .2373(3) .1373(3) .3866(3) .0518(18) Uani d . 1 . C
H6 .2107 .1682 .4066 .062 Uiso calc R 1 . H
C7 .2970(3) .3410(3) .3705(3) .0282(15) Uani d . 1 . C
C8 .2857(3) .3984(3) .4064(3) .0440(16) Uani d . 1 . C
H8 .3071 .3991 .4476 .053 Uiso calc R 1 . H
C9 .2428(4) .4545(3) .3812(3) .0553(19) Uani d . 1 . C
H9 .2349 .492 .4059 .066 Uiso calc R 1 . H
C10 .2120(4) .4553(3) .3206(3) .056(2) Uani d . 1 . C
H10 .1847 .4937 .3036 .067 Uiso calc R 1 . H
C11 .2219(3) .3977(3) .2842(3) .0454(16) Uani d . 1 . C
H11 .1998 .397 .2431 .054 Uiso calc R 1 . H
C12 .2644(3) .3418(3) .3094(3) .0388(15) Uani d . 1 . C
H12 .2713 .3039 .2848 .047 Uiso calc R 1 . H
C13 .3853(2) .2566(3) .5074(2) .0315(13) Uani d . 1 . C
C14 .3632(3) .2055(3) .5435(3) .0415(16) Uani d . 1 . C
H14 .3315 .1702 .5258 .05 Uiso calc R 1 . H
C15 .3880(3) .2063(4) .6064(3) .0526(18) Uani d . 1 . C
H15 .3729 .1713 .6304 .063 Uiso calc R 1 . H
C16 .4338(3) .2574(4) .6332(3) .0540(17) Uani d . 1 . C
H16 .4497 .2573 .6753 .065 Uiso calc R 1 . H
C17 .4572(4) .3101(4) .5978(3) .0581(19) Uani d . 1 . C
H17 .4884 .3455 .616 .07 Uiso calc R 1 . H
C18 .4332(3) .3090(3) .5351(3) .0436(16) Uani d . 1 . C
H18 .4491 .3435 .5111 .052 Uiso calc R 1 . H
C19 .6149(3) .3453(3) .4508(3) .0298(15) Uani d . 1 . C
C20 .6237(3) .3473(3) .5120(3) .0426(16) Uani d . 1 . C
H20 .6365 .3064 .534 .051 Uiso calc R 1 . H
C21 .6143(3) .4087(4) .5442(3) .0581(19) Uani d . 1 . C
H21 .6226 .4081 .5866 .07 Uiso calc R 1 . H
C22 .5935(4) .4679(4) .5141(4) .060(2) Uani d . 1 . C
H22 .5872 .5084 .5358 .072 Uiso calc R 1 . H
C23 .5813(4) .4694(3) .4510(4) .075(3) Uani d . 1 . C
H23 .5662 .5105 .43 .09 Uiso calc R 1 . H
C24 .5920(4) .4081(3) .4191(3) .064(2) Uani d . 1 . C
H24 .584 .4086 .3766 .077 Uiso calc R 1 . H
C25 .6159(3) .1597(3) .4566(3) .0316(16) Uani d . 1 . C
C26 .5552(4) .1492(3) .4847(3) .0533(18) Uani d . 1 . C
H26 .5166 .1815 .4799 .064 Uiso calc R 1 . H
C27 .5529(4) .0893(4) .5204(3) .066(2) Uani d . 1 . C
H27 .5114 .0813 .5381 .08 Uiso calc R 1 . H
C28 .6094(4) .0427(4) .5300(3) .065(2) Uani d . 1 . C
H28 .6069 .0035 .5543 .078 Uiso calc R 1 . H
C29 .6698(4) .0536(3) .5039(3) .060(2) Uani d . 1 . C
H29 .7089 .0219 .5105 .072 Uiso calc R 1 . H
C30 .6739(3) .1132(3) .4664(3) .0431(16) Uani d . 1 . C
H30 .7154 .1206 .4486 .052 Uiso calc R 1 . H
C31 .7215(2) .2452(3) .3624(2) .0262(11) Uani d . 1 . C
C32 .7799(3) .2909(3) .3758(3) .0420(16) Uani d . 1 . C
H32 .7769 .3281 .4022 .05 Uiso calc R 1 . H
C33 .8436(3) .2829(4) .3504(3) .0546(18) Uani d . 1 . C
H33 .8834 .3133 .3611 .066 Uiso calc R 1 . H
C34 .8473(3) .2301(3) .3098(3) .057(2) Uani d . 1 . C
H34 .8893 .2253 .2923 .069 Uiso calc R 1 . H
C35 .7888(3) .1833(3) .2944(3) .0496(17) Uani d . 1 . C
H35 .7914 .1473 .2667 .06 Uiso calc R 1 . H
C36 .7274(3) .1911(3) .3207(3) .0411(16) Uani d . 1 . C
H36 .6883 .1597 .3107 .049 Uiso calc R 1 . H
C01 .5 -.0602(6) .25 .079(4) Uani d SU 1 . C
C02 .5058(8) -.0596(8) .3132(8) .073(5) Uani d PU .5 . C
C03 .5272(4) .0037(5) .3490(4) .085(3) Uani d U 1 . C
C04 .5253(7) .0655(7) .3120(7) .054(4) Uani d PU .5 . C
C05 .5 .0646(5) .25 .059(3) Uani d SU 1 . C
C06 .5118(7) .0032(7) .2847(6) .053(4) Uani d PU .5 . C
C07 .4719(8) .4835(7) .2735(6) .053(4) Uani d PU .5 . C
C08 .5 .4331(6) .25 .081(4) Uani d SU 1 . C
C09 .4274(12) .4410(10) .2848(10) .088(7) Uani d PU .5 . C
C010 .5 .5567(6) .25 .088(4) Uani d SU 1 . C
C011 .4139(13) .4706(13) .3056(11) .090(7) Uani d PU .5 . C
C012 .4112(11) .5162(11) .2955(9) .087(6) Uani d PU .5 . C
C013 .4532(10) .5655(9) .2761(8) .075(5) Uani d PU .5 . C
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B .0013 .0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -.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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Sn1 C1 . . 107.75(17) yes
O1 Sn1 C7 . . 109.91(18) yes
C1 Sn1 C7 . . 114.4(2) yes
O1 Sn1 C13 . . 97.64(15) yes
C1 Sn1 C13 . . 112.1(2) yes
C7 Sn1 C13 . . 113.6(2) yes
O2 Sn2 C19 . . 108.36(19) yes
O2 Sn2 C31 . . 99.33(15) yes
C19 Sn2 C31 . . 114.2(2) yes
O2 Sn2 C25 . . 110.86(18) yes
C19 Sn2 C25 . . 113.1(2) yes
C31 Sn2 C25 . . 110.2(2) yes
B1 O1 Sn1 . . 122.0(3) yes
B1 O2 Sn2 . . 116.2(3) yes
O1 B1 O3 . . 120.0(4) yes
O1 B1 O2 . . 118.3(4) yes
O3 B1 O2 . . 121.7(5) yes
C6 C1 C2 . . 118.5(5) ?
C6 C1 Sn1 . . 121.6(4) ?
C2 C1 Sn1 . . 119.9(4) ?
C1 C2 C3 . . 120.1(6) ?
C4 C3 C2 . . 119.9(6) ?
C5 C4 C3 . . 119.3(6) ?
C4 C5 C6 . . 120.8(6) ?
C1 C6 C5 . . 121.4(6) ?
C12 C7 C8 . . 118.2(5) ?
C12 C7 Sn1 . . 120.9(4) ?
C8 C7 Sn1 . . 120.8(4) ?
C9 C8 C7 . . 120.7(6) ?
C10 C9 C8 . . 120.7(6) ?
C9 C10 C11 . . 119.3(6) ?
C12 C11 C10 . . 119.8(6) ?
C11 C12 C7 . . 121.3(5) ?
C14 C13 C18 . . 118.8(5) ?
C14 C13 Sn1 . . 121.3(4) ?
C18 C13 Sn1 . . 119.6(4) ?
C13 C14 C15 . . 120.2(6) ?
C16 C15 C14 . . 120.9(6) ?
C15 C16 C17 . . 120.3(6) ?
C18 C17 C16 . . 118.9(6) ?
C17 C18 C13 . . 120.9(6) ?
C20 C19 C24 . . 116.8(5) ?
C20 C19 Sn2 . . 121.9(4) ?
C24 C19 Sn2 . . 121.0(5) ?
C19 C20 C21 . . 122.5(6) ?
C22 C21 C20 . . 120.4(7) ?
C21 C22 C23 . . 120.3(7) ?
C22 C23 C24 . . 119.0(7) ?
C23 C24 C19 . . 120.8(7) ?
C30 C25 C26 . . 119.8(5) ?
C30 C25 Sn2 . . 118.9(4) ?
C26 C25 Sn2 . . 121.2(4) ?
C25 C26 C27 . . 119.0(6) ?
C28 C27 C26 . . 121.8(7) ?
C27 C28 C29 . . 119.4(7) ?
C28 C29 C30 . . 120.6(6) ?
C25 C30 C29 . . 119.4(6) ?
C32 C31 C36 . . 117.5(5) ?
C32 C31 Sn2 . . 123.5(4) ?
C36 C31 Sn2 . . 119.1(4) ?
C31 C32 C33 . . 121.3(6) ?
C34 C33 C32 . . 119.6(6) ?
C33 C34 C35 . . 120.8(6) ?
C36 C35 C34 . . 118.7(6) ?
C35 C36 C31 . . 122.0(6) ?
C02 C01 C06 . 2_655 121.0(12) ?
C01 C02 C03 . . 121.3(12) ?
C04 C03 C02 . . 113.2(10) ?
C05 C04 C03 . . 122.3(11) ?
C04 C05 C06 . 2_655 123.7(11) ?
C04 C05 C06 2_655 . 123.7(11) ?
C05 C06 C03 . . 122.5(12) ?
C05 C06 C01 . . 114.8(11) ?
C08 C07 C011 . . 119.0(17) ?
C08 C07 C010 . . 110.7(11) ?
C011 C07 C010 . . 129.2(15) ?
C07 C08 C09 2_655 . 123.3(13) ?
C012 C09 C08 . . 111.2(17) ?
C013 C010 C07 2_655 . 127.7(15) ?
C013 C012 C09 . . 118.8(19) ?
C010 C013 C012 . . 126.6(18) ?
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 . 1.999(3) yes
Sn1 C1 . 2.122(5) yes
Sn1 C7 . 2.123(5) yes
Sn1 C13 . 2.137(5) yes
Sn2 O2 . 2.027(3) yes
Sn2 C19 . 2.119(5) yes
Sn2 C31 . 2.136(4) yes
Sn2 C25 . 2.139(5) yes
O1 B1 . 1.353(6) yes
O2 B1 . 1.392(6) yes
O3 B1 . 1.361(6) yes
C1 C6 . 1.377(7) ?
C1 C2 . 1.381(7) ?
C2 C3 . 1.410(7) ?
C3 C4 . 1.396(9) ?
C4 C5 . 1.349(9) ?
C5 C6 . 1.391(8) ?
C7 C12 . 1.382(8) ?
C7 C8 . 1.395(7) ?
C8 C9 . 1.387(8) ?
C9 C10 . 1.364(9) ?
C10 C11 . 1.399(8) ?
C11 C12 . 1.382(7) ?
C13 C14 . 1.372(7) ?
C13 C18 . 1.400(7) ?
C14 C15 . 1.392(8) ?
C15 C16 . 1.354(8) ?
C16 C17 . 1.395(8) ?
C17 C18 . 1.384(8) ?
C19 C20 . 1.343(8) ?
C19 C24 . 1.417(8) ?
C20 C21 . 1.401(8) ?
C21 C22 . 1.335(9) ?
C22 C23 . 1.381(10) ?
C23 C24 . 1.405(8) ?
C25 C30 . 1.373(7) ?
C25 C26 . 1.387(7) ?
C26 C27 . 1.400(8) ?
C27 C28 . 1.356(9) ?
C28 C29 . 1.357(9) ?
C29 C30 . 1.422(8) ?
C31 C32 . 1.373(7) ?
C31 C36 . 1.407(7) ?
C32 C33 . 1.397(8) ?
C33 C34 . 1.364(8) ?
C34 C35 . 1.391(8) ?
C35 C36 . 1.370(7) ?
C01 C02 . 1.392(18) ?
C01 C06 . 1.433(15) ?
C02 C03 . 1.463(16) ?
C03 C06 . 1.406(15) ?
C03 C04 . 1.436(15) ?
C04 C05 . 1.374(15) ?
C05 C06 . 1.401(15) ?
C07 C08 . 1.252(14) ?
C07 C011 . 1.41(3) ?
C07 C010 . 1.612(16) ?
C08 C09 . 1.66(2) ?
C09 C012 . 1.50(3) ?
C010 C013 . 1.132(18) ?
C012 C013 . 1.34(2) ?
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
O3 H3 O2 2_655 .82 1.91 2.719(4) 172
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_4
_geom_torsion
C1 Sn1 O1 B1 . . 65.8(5)
C7 Sn1 O1 B1 . . -59.5(5)
C13 Sn1 O1 B1 . . -178.1(4)
C19 Sn2 O2 B1 . . -61.1(4)
C31 Sn2 O2 B1 . . 179.4(4)
C25 Sn2 O2 B1 . . 63.5(4)
Sn1 O1 B1 O3 . . 1.3(8)
Sn1 O1 B1 O2 . . -176.6(4)
Sn2 O2 B1 O1 . . -2.4(7)
Sn2 O2 B1 O3 . . 179.7(4)
O1 Sn1 C1 C6 . . 178.0(5)
C7 Sn1 C1 C6 . . -59.4(6)
C13 Sn1 C1 C6 . . 71.8(6)
O1 Sn1 C1 C2 . . -2.1(5)
C7 Sn1 C1 C2 . . 120.4(5)
C13 Sn1 C1 C2 . . -108.4(5)
C6 C1 C2 C3 . . 1.1(9)
Sn1 C1 C2 C3 . . -178.8(4)
C1 C2 C3 C4 . . .0(10)
C2 C3 C4 C5 . . -.7(11)
C3 C4 C5 C6 . . .4(12)
C2 C1 C6 C5 . . -1.4(10)
Sn1 C1 C6 C5 . . 178.4(5)
C4 C5 C6 C1 . . .6(12)
O1 Sn1 C7 C12 . . 81.7(5)
C1 Sn1 C7 C12 . . -39.6(5)
C13 Sn1 C7 C12 . . -170.0(4)
O1 Sn1 C7 C8 . . -102.3(5)
C1 Sn1 C7 C8 . . 136.4(5)
C13 Sn1 C7 C8 . . 5.9(5)
C12 C7 C8 C9 . . .2(9)
Sn1 C7 C8 C9 . . -175.9(5)
C7 C8 C9 C10 . . -1.4(10)
C8 C9 C10 C11 . . 2.3(11)
C9 C10 C11 C12 . . -2.1(10)
C10 C11 C12 C7 . . .9(9)
C8 C7 C12 C11 . . .0(9)
Sn1 C7 C12 C11 . . 176.1(4)
O1 Sn1 C13 C14 . . -121.9(4)
C1 Sn1 C13 C14 . . -9.2(5)
C7 Sn1 C13 C14 . . 122.4(5)
O1 Sn1 C13 C18 . . 52.2(4)
C1 Sn1 C13 C18 . . 164.9(4)
C7 Sn1 C13 C18 . . -63.5(5)
C18 C13 C14 C15 . . .2(8)
Sn1 C13 C14 C15 . . 174.3(4)
C13 C14 C15 C16 . . .4(9)
C14 C15 C16 C17 . . -.3(10)
C15 C16 C17 C18 . . -.4(10)
C16 C17 C18 C13 . . 1.0(10)
C14 C13 C18 C17 . . -.9(9)
Sn1 C13 C18 C17 . . -175.1(5)
O2 Sn2 C19 C20 . . 141.0(5)
C31 Sn2 C19 C20 . . -109.4(5)
C25 Sn2 C19 C20 . . 17.7(5)
O2 Sn2 C19 C24 . . -33.1(5)
C31 Sn2 C19 C24 . . 76.5(5)
C25 Sn2 C19 C24 . . -156.4(5)
C24 C19 C20 C21 . . -2.9(9)
Sn2 C19 C20 C21 . . -177.2(4)
C19 C20 C21 C22 . . 2.2(10)
C20 C21 C22 C23 . . -.2(11)
C21 C22 C23 C24 . . -.9(12)
C22 C23 C24 C19 . . .1(11)
C20 C19 C24 C23 . . 1.7(10)
Sn2 C19 C24 C23 . . 176.1(5)
O2 Sn2 C25 C30 . . 116.9(5)
C19 Sn2 C25 C30 . . -121.2(5)
C31 Sn2 C25 C30 . . 8.0(5)
O2 Sn2 C25 C26 . . -67.2(5)
C19 Sn2 C25 C26 . . 54.7(5)
C31 Sn2 C25 C26 . . -176.1(5)
C30 C25 C26 C27 . . -2.8(10)
Sn2 C25 C26 C27 . . -178.7(5)
C25 C26 C27 C28 . . 2.3(11)
C26 C27 C28 C29 . . -.7(12)
C27 C28 C29 C30 . . -.4(12)
C26 C25 C30 C29 . . 1.8(9)
Sn2 C25 C30 C29 . . 177.7(4)
C28 C29 C30 C25 . . -.1(10)
O2 Sn2 C31 C32 . . 127.5(5)
C19 Sn2 C31 C32 . . 12.4(5)
C25 Sn2 C31 C32 . . -116.1(5)
O2 Sn2 C31 C36 . . -53.7(4)
C19 Sn2 C31 C36 . . -168.8(4)
C25 Sn2 C31 C36 . . 62.7(4)
C36 C31 C32 C33 . . -2.0(8)
Sn2 C31 C32 C33 . . 176.8(4)
C31 C32 C33 C34 . . 2.4(9)
C32 C33 C34 C35 . . -1.4(10)
C33 C34 C35 C36 . . .0(9)
C34 C35 C36 C31 . . .4(9)
C32 C31 C36 C35 . . .6(8)
Sn2 C31 C36 C35 . . -178.2(4)
C06 C01 C02 C03 2_655 . -22.7(16)
C01 C02 C03 C04 . . 12.6(16)
C02 C03 C04 C05 . . 4.8(15)
C03 C04 C05 C06 . 2_655 -13.3(14)
C04 C05 C06 C03 . . 9.5(10)
C04 C05 C06 C01 2_655 . 3.8(13)
C02 C01 C06 C05 . . -165.9(14)
C02 C01 C06 C03 2_655 . -171.8(11)
C010 C07 C08 C09 . . -162.4(18)
C011 C07 C08 C09 . 2_655 -175.6(17)
C07 C08 C09 C012 2_655 . -12(2)
C08 C07 C010 C013 . . 170.0(14)
C011 C07 C010 C013 . . 2.2(18)
C08 C09 C012 C013 . . 1(2)
C07 C010 C013 C012 2_655 . 2(3)
C09 C012 C013 C010 . . 3(3)
