#------------------------------------------------------------------------------
#$Date: 2016-03-24 16:21:59 +0100 (jue 24 de mar de 2016) $
#$Revision: 179687 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/09/7000964.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7000964
loop_
_publ_author_name
'Tamm, Nadezhda B.'
'Ioffe, Ilya N.'
'Kemnitz, Erhard'
'Troyanov, Sergey I.'
_publ_section_title
;
 Synthesis and molecular structure of pentafluoroethyl derivatives of
 C70: C70(C2F5)8 and C70(C2F5)10
;
_journal_issue                   15
_journal_name_full               'Dalton Transactions'
_journal_page_first              2740
_journal_page_last               2745
_journal_paper_doi               10.1039/b817829a
_journal_year                    2009
_chemical_formula_sum            'C86 F40'
_chemical_formula_weight         1792.86
_chemical_name_systematic
;
?
;
_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'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.4382(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   47.1042(2)
_cell_length_b                   14.10420(10)
_cell_length_c                   18.13360(10)
_cell_measurement_reflns_used    61000
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      35
_cell_measurement_theta_min      4
_cell_volume                     11666.88(12)
_computing_cell_refinement       HKL2000
_computing_data_collection       DENZO
_computing_data_reduction        HKL2000
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.884
_diffrn_measurement_device_type  MAR225
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  Cu(113)
_diffrn_radiation_source         'BL14.1, PSF, BESSY, Berlin, Germany'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.90500
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_max       61
_diffrn_reflns_limit_h_min       -60
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            81323
_diffrn_reflns_theta_full        35.60
_diffrn_reflns_theta_max         36.98
_diffrn_reflns_theta_min         2.69
_exptl_absorpt_coefficient_mu    0.504
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             7008
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.723
_refine_diff_density_min         -0.587
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1244
_refine_ls_number_reflns         12561
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0585
_refine_ls_R_factor_gt           0.0545
_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)+(0.0600P)²+30.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1337
_refine_ls_wR_factor_ref         0.1363
_reflns_number_gt                10825
_reflns_number_total             12561
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b817829a.txt
_cod_data_source_block           9p1p6
_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 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7000964
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_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
F71A F 0.91614(3) 0.75886(10) 0.55020(7) 0.0338(3) Uani 1 1 d . . .
F71B F 0.94572(3) 0.85718(10) 0.51437(7) 0.0341(3) Uani 1 1 d . . .
F72A F 0.94281(3) 0.61006(11) 0.50189(10) 0.0476(4) Uani 1 1 d . . .
F72B F 0.97201(3) 0.70256(13) 0.46260(10) 0.0522(4) Uani 1 1 d . . .
F72C F 0.97202(3) 0.70089(14) 0.58119(9) 0.0537(4) Uani 1 1 d . . .
F73A F 0.88348(3) 0.60376(9) 0.51903(7) 0.0313(3) Uani 1 1 d . . .
F73B F 0.83851(3) 0.55806(9) 0.47584(8) 0.0335(3) Uani 1 1 d . . .
F74A F 0.86674(3) 0.74965(10) 0.59315(8) 0.0374(3) Uani 1 1 d . . .
F74B F 0.82140(3) 0.72123(13) 0.54330(8) 0.0475(4) Uani 1 1 d . . .
F74C F 0.84779(4) 0.61875(11) 0.61663(8) 0.0442(4) Uani 1 1 d . . .
F75A F 0.92928(10) 0.5295(4) 0.0942(3) 0.0623(14) Uani 0.702(3) 1 d P . .
F75B F 0.91430(7) 0.4502(2) 0.17974(18) 0.0526(7) Uani 0.702(3) 1 d P . .
F75C F 0.9402(2) 0.5293(8) 0.1150(6) 0.050(3) Uani 0.298(3) 1 d P . .
F75D F 0.9638(2) 0.5653(6) 0.2285(5) 0.0421(19) Uani 0.298(3) 1 d P . .
F76A F 0.97405(7) 0.6034(3) 0.1981(3) 0.0964(14) Uani 0.702(3) 1 d P . .
F76B F 0.96048(7) 0.5328(3) 0.2873(2) 0.0997(16) Uani 0.702(3) 1 d P . .
F76C F 0.97258(6) 0.4501(2) 0.2027(2) 0.0847(11) Uani 0.702(3) 1 d P . .
F76D F 0.93681(12) 0.4383(4) 0.2900(3) 0.0432(14) Uani 0.298(3) 1 d P . .
F76E F 0.95217(13) 0.3779(3) 0.1982(3) 0.0454(14) Uani 0.298(3) 1 d P . .
F76F F 0.90590(15) 0.4057(4) 0.1832(4) 0.0491(17) Uani 0.298(3) 1 d P . .
F77A F 0.94545(4) 1.12870(12) 0.17798(8) 0.0477(4) Uani 1 1 d . . .
F77B F 0.91611(3) 1.19564(10) 0.23723(10) 0.0474(4) Uani 1 1 d . . .
F78A F 0.95204(3) 1.12610(13) 0.37311(8) 0.0462(4) Uani 1 1 d . . .
F78B F 0.97233(3) 1.21929(11) 0.30724(9) 0.0464(4) Uani 1 1 d . . .
F78C F 0.98070(3) 1.07014(12) 0.30863(9) 0.0462(4) Uani 1 1 d . . .
F79A F 0.91339(6) 0.79135(18) -0.05359(11) 0.0867(8) Uani 1 1 d . . .
F79B F 0.92196(4) 0.64562(19) -0.01179(10) 0.0738(6) Uani 1 1 d . . .
F80A F 0.86581(4) 0.59959(11) -0.08390(8) 0.0506(4) Uani 1 1 d . . .
F80B F 0.85736(5) 0.74255(13) -0.12148(9) 0.0677(6) Uani 1 1 d . . .
F80C F 0.89051(5) 0.66065(17) -0.15568(10) 0.0747(7) Uani 1 1 d . . .
F81A F 0.97021(4) 0.75462(14) 0.05581(10) 0.0574(5) Uani 1 1 d . . .
F81B F 0.99071(4) 0.79893(17) 0.17009(10) 0.0653(5) Uani 1 1 d . . .
F82A F 0.94437(4) 0.92706(12) 0.02407(8) 0.0460(4) Uani 1 1 d . . .
F82B F 0.96722(4) 0.97728(13) 0.13651(9) 0.0512(4) Uani 1 1 d . . .
F82C F 1.00068(4) 0.87158(15) 0.07513(11) 0.0627(5) Uani 1 1 d . . .
F83A F 0.71067(3) 0.74093(13) 0.15919(9) 0.0501(4) Uani 1 1 d . . .
F83B F 0.70697(3) 0.89307(15) 0.13835(12) 0.0673(6) Uani 1 1 d . . .
F84A F 0.71418(3) 0.76560(11) 0.30576(9) 0.0445(4) Uani 1 1 d . . .
F84B F 0.71885(3) 0.91618(11) 0.29901(12) 0.0585(5) Uani 1 1 d . . .
F84C F 0.67875(3) 0.84925(14) 0.24002(11) 0.0587(5) Uani 1 1 d . . .
F85A F 0.75771(4) 0.98480(14) -0.04399(10) 0.0624(5) Uani 1 1 d . . .
F85B F 0.72704(10) 0.9799(3) 0.0294(3) 0.0499(11) Uani 0.702(3) 1 d P . .
F85C F 0.7233(2) 1.0042(8) 0.0541(6) 0.046(2) Uani 0.298(3) 1 d P . .
F86A F 0.74636(4) 1.14449(13) 0.09068(9) 0.0545(4) Uani 1 1 d . . .
F86B F 0.73129(5) 1.1493(2) -0.03026(15) 0.0482(6) Uani 0.702(3) 1 d P . .
F86C F 0.77700(5) 1.15847(18) 0.02479(19) 0.0547(8) Uani 0.702(3) 1 d P . .
F86D F 0.77203(13) 1.1170(5) -0.0295(4) 0.0520(15) Uani 0.298(3) 1 d P . .
F86E F 0.72556(13) 1.0985(5) -0.0656(3) 0.0508(16) Uani 0.298(3) 1 d P . .
C1 C 0.91067(4) 0.78149(14) 0.41686(11) 0.0232(4) Uani 1 1 d . . .
C2 C 0.88496(4) 0.84589(14) 0.42071(10) 0.0217(4) Uani 1 1 d . . .
C3 C 0.85978(4) 0.80470(14) 0.43150(11) 0.0225(4) Uani 1 1 d . . .
C4 C 0.85226(5) 0.69719(14) 0.42094(12) 0.0242(4) Uani 1 1 d . . .
C5 C 0.87051(5) 0.65349(14) 0.37041(12) 0.0245(4) Uani 1 1 d . . .
C6 C 0.89833(5) 0.68766(14) 0.37646(12) 0.0248(4) Uani 1 1 d . . .
C7 C 0.91397(5) 0.66613(15) 0.32032(13) 0.0283(4) Uani 1 1 d . . .
C8 C 0.93245(5) 0.74642(16) 0.31211(12) 0.0269(4) Uani 1 1 d . . .
C9 C 0.92794(4) 0.81870(15) 0.36126(11) 0.0237(4) Uani 1 1 d . . .
C10 C 0.92659(4) 0.91155(15) 0.33639(11) 0.0237(4) Uani 1 1 d . . .
C11 C 0.90373(4) 0.97396(14) 0.34983(11) 0.0230(4) Uani 1 1 d . . .
C12 C 0.88380(4) 0.94306(14) 0.39264(11) 0.0226(4) Uani 1 1 d . . .
C13 C 0.85709(5) 0.99259(14) 0.37849(11) 0.0246(4) Uani 1 1 d . . .
C14 C 0.83144(5) 0.95029(15) 0.39278(12) 0.0251(4) Uani 1 1 d . . .
C15 C 0.83276(4) 0.85672(15) 0.41652(11) 0.0236(4) Uani 1 1 d . . .
C16 C 0.80842(4) 0.79437(15) 0.38591(12) 0.0251(4) Uani 1 1 d . . .
C17 C 0.81957(5) 0.70288(14) 0.37946(12) 0.0246(4) Uani 1 1 d . . .
C18 C 0.80712(5) 0.64958(15) 0.31623(12) 0.0271(4) Uani 1 1 d . . .
C19 C 0.82557(5) 0.59717(15) 0.27669(13) 0.0292(4) Uani 1 1 d . . .
C20 C 0.85650(5) 0.59832(14) 0.30375(12) 0.0276(4) Uani 1 1 d . . .
C21 C 0.87250(5) 0.57998(15) 0.24835(13) 0.0312(5) Uani 1 1 d . . .
C22 C 0.90191(5) 0.60930(16) 0.25921(13) 0.0319(5) Uani 1 1 d . . .
C23 C 0.91031(6) 0.61540(18) 0.18296(14) 0.0381(5) Uani 1 1 d . . .
C24 C 0.92339(5) 0.71200(18) 0.17397(13) 0.0338(5) Uani 1 1 d . . .
C25 C 0.93685(5) 0.76896(16) 0.24133(12) 0.0292(4) Uani 1 1 d . . .
C26 C 0.93789(5) 0.86451(17) 0.21854(12) 0.0288(4) Uani 1 1 d . . .
C27 C 0.93279(4) 0.93635(15) 0.26567(11) 0.0258(4) Uani 1 1 d . . .
C28 C 0.91627(5) 1.02812(15) 0.23595(12) 0.0272(4) Uani 1 1 d . . .
C29 C 0.89528(5) 1.03596(14) 0.28859(12) 0.0256(4) Uani 1 1 d . . .
C30 C 0.86575(5) 1.06802(14) 0.26329(13) 0.0282(4) Uani 1 1 d . . .
C31 C 0.84797(5) 1.05432(14) 0.31353(12) 0.0273(4) Uani 1 1 d . . .
C32 C 0.81631(5) 1.04870(15) 0.28812(14) 0.0311(5) Uani 1 1 d . . .
C33 C 0.80599(5) 0.98577(15) 0.33742(13) 0.0293(4) Uani 1 1 d . . .
C34 C 0.78250(5) 0.92592(16) 0.30687(13) 0.0302(5) Uani 1 1 d . . .
C35 C 0.78364(5) 0.82828(15) 0.33218(13) 0.0283(4) Uani 1 1 d . . .
C36 C 0.76973(5) 0.77018(16) 0.26987(13) 0.0302(5) Uani 1 1 d . . .
C37 C 0.78180(5) 0.68319(15) 0.26116(13) 0.0295(5) Uani 1 1 d . . .
C38 C 0.78465(5) 0.65047(17) 0.18659(13) 0.0341(5) Uani 1 1 d . . .
C39 C 0.81190(5) 0.59771(16) 0.19796(13) 0.0324(5) Uani 1 1 d . . .
C40 C 0.82855(6) 0.59841(17) 0.14193(13) 0.0360(5) Uani 1 1 d . . .
C41 C 0.85868(6) 0.57972(16) 0.16830(14) 0.0361(5) Uani 1 1 d . . .
C42 C 0.87984(6) 0.60958(18) 0.12821(14) 0.0395(6) Uani 1 1 d . . .
C43 C 0.87130(6) 0.6672(2) 0.06673(14) 0.0423(6) Uani 1 1 d . . .
C44 C 0.89109(6) 0.7424(2) 0.04300(13) 0.0425(6) Uani 1 1 d . . .
C45 C 0.91664(6) 0.76638(19) 0.11131(13) 0.0372(5) Uani 1 1 d . . .
C46 C 0.92885(5) 0.86903(18) 0.13106(12) 0.0340(5) Uani 1 1 d . . .
C47 C 0.90418(5) 0.93868(18) 0.11010(12) 0.0333(5) Uani 1 1 d . . .
C48 C 0.89843(5) 1.00848(17) 0.15592(12) 0.0311(5) Uani 1 1 d . . .
C49 C 0.86763(5) 1.03518(17) 0.13149(13) 0.0333(5) Uani 1 1 d . . .
C50 C 0.85152(5) 1.06807(16) 0.18115(13) 0.0324(5) Uani 1 1 d . . .
C51 C 0.82062(5) 1.05464(16) 0.15718(14) 0.0359(5) Uani 1 1 d . . .
C52 C 0.80263(5) 1.04896(16) 0.21115(15) 0.0350(5) Uani 1 1 d . . .
C53 C 0.77733(5) 0.99089(17) 0.18029(15) 0.0370(5) Uani 1 1 d . . .
C54 C 0.76736(5) 0.93028(17) 0.22743(14) 0.0346(5) Uani 1 1 d . . .
C55 C 0.75374(5) 0.83231(17) 0.20183(14) 0.0356(5) Uani 1 1 d . . .
C56 C 0.76356(5) 0.80302(18) 0.13173(13) 0.0369(5) Uani 1 1 d . . .
C57 C 0.77576(5) 0.70908(18) 0.12406(13) 0.0372(5) Uani 1 1 d . . .
C58 C 0.79374(6) 0.71602(19) 0.06987(13) 0.0396(6) Uani 1 1 d . . .
C59 C 0.81918(6) 0.65944(19) 0.07621(13) 0.0404(6) Uani 1 1 d . . .
C60 C 0.84106(6) 0.6965(2) 0.04298(13) 0.0420(6) Uani 1 1 d . . .
C61 C 0.83981(6) 0.7930(2) 0.01897(12) 0.0429(6) Uani 1 1 d . . .
C62 C 0.86962(6) 0.8255(2) 0.02807(12) 0.0417(6) Uani 1 1 d . . .
C63 C 0.87671(6) 0.9151(2) 0.05463(12) 0.0384(6) Uani 1 1 d . . .
C64 C 0.85448(6) 0.97771(19) 0.06812(12) 0.0377(6) Uani 1 1 d . . .
C65 C 0.82455(6) 0.9512(2) 0.05176(13) 0.0404(6) Uani 1 1 d . . .
C66 C 0.80741(6) 1.00023(19) 0.09227(14) 0.0405(6) Uani 1 1 d . . .
C67 C 0.77657(6) 0.96888(19) 0.09689(15) 0.0428(6) Uani 1 1 d . . .
C68 C 0.77402(6) 0.86295(19) 0.08587(14) 0.0414(6) Uani 1 1 d . . .
C69 C 0.79280(6) 0.8112(2) 0.04648(13) 0.0418(6) Uani 1 1 d . . .
C70 C 0.81701(6) 0.8540(2) 0.02657(13) 0.0419(6) Uani 1 1 d . . .
C71 C 0.93163(5) 0.77309(16) 0.49760(12) 0.0274(4) Uani 1 1 d . . .
C72 C 0.95514(5) 0.69507(19) 0.51105(14) 0.0368(5) Uani 1 1 d . . .
C73 C 0.85585(5) 0.63575(15) 0.49416(12) 0.0261(4) Uani 1 1 d . . .
C74 C 0.84779(5) 0.68260(16) 0.56326(12) 0.0288(4) Uani 1 1 d . . .
C75 C 0.92778(15) 0.5308(5) 0.1680(4) 0.0448(16) Uani 0.702(3) 1 d P . .
C75A C 0.9380(3) 0.5379(9) 0.1862(8) 0.026(3) Uani 0.298(3) 1 d P . .
C76 C 0.9593(2) 0.5272(7) 0.2166(6) 0.083(3) Uani 0.702(3) 1 d P . .
C76A C 0.9327(2) 0.4376(5) 0.2140(4) 0.0289(16) Uani 0.298(3) 1 d P . .
C77 C 0.93443(5) 1.12120(17) 0.23943(12) 0.0314(5) Uani 1 1 d . . .
C78 C 0.96036(5) 1.13476(16) 0.30880(13) 0.0300(5) Uani 1 1 d . . .
C79 C 0.90152(8) 0.7144(3) -0.02922(16) 0.0567(9) Uani 1 1 d . . .
C80 C 0.87828(7) 0.6773(2) -0.09872(14) 0.0486(7) Uani 1 1 d . . .
C81 C 0.95469(6) 0.9003(2) 0.09740(13) 0.0401(6) Uani 1 1 d . . .
C82 C 0.97934(6) 0.8298(2) 0.09957(15) 0.0494(7) Uani 1 1 d . . .
C83 C 0.71996(5) 0.82691(19) 0.18930(16) 0.0425(6) Uani 1 1 d . . .
C84 C 0.70768(5) 0.83920(18) 0.25932(17) 0.0423(6) Uani 1 1 d . . .
C85 C 0.75381(8) 1.0122(3) 0.0293(2) 0.0313(8) Uani 0.702(3) 1 d P . .
C85A C 0.74945(17) 1.0451(6) 0.0569(5) 0.0268(17) Uani 0.298(3) 1 d PU . .
C86 C 0.75192(7) 1.1198(2) 0.02964(18) 0.0314(7) Uani 0.702(3) 1 d P . .
C86A C 0.75081(18) 1.0593(6) -0.0253(5) 0.0351(18) Uani 0.298(3) 1 d PU . .
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'
F F 0.0171 0.0103 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F75C F75A C75 66.4(17) . . ?
F75C F75A C75A 49.5(18) . . ?
C75 F75A C75A 17.4(5) . . ?
F76F F75B C76A 101.7(9) . . ?
F76F F75B C75 175.3(8) . . ?
C76A F75B C75 82.7(6) . . ?
F76F F75B C75A 168.3(8) . . ?
C76A F75B C75A 66.6(7) . . ?
C75 F75B C75A 16.3(6) . . ?
F75A F75C C75 89(2) . . ?
F75A F75C C75A 112(2) . . ?
C75 F75C C75A 23.1(5) . . ?
F75A F75C C76 145(2) . . ?
C75 F75C C76 55.5(5) . . ?
C75A F75C C76 33.3(6) . . ?
C76 F75D F76A 118.0(19) . . ?
C76 F75D F76B 82.3(15) . . ?
F76A F75D F76B 153.8(12) . . ?
C76 F75D C75A 48.5(16) . . ?
F76A F75D C75A 110.1(10) . . ?
F76B F75D C75A 95.7(8) . . ?
C76 F75D F76C 33.1(13) . . ?
F76A F75D F76C 100.0(6) . . ?
F76B F75D F76C 88.6(5) . . ?
C75A F75D F76C 79.6(8) . . ?
C76 F75D C75 50.1(15) . . ?
F76A F75D C75 108.6(8) . . ?
F76B F75D C75 97.1(6) . . ?
C75A F75D C75 1.8(8) . . ?
F76C F75D C75 80.9(5) . . ?
F75D F76A C76 22.7(7) . . ?
F75D F76A C75A 40.9(7) . . ?
C76 F76A C75A 31.8(6) . . ?
F75D F76B C76 27.7(4) . . ?
F75D F76B F76D 122.6(6) . . ?
C76 F76B F76D 96.5(5) . . ?
F75D F76B C75A 44.6(6) . . ?
C76 F76B C75A 31.3(6) . . ?
F76D F76B C75A 81.2(4) . . ?
C76 F76C F76E 105.3(5) . . ?
C76 F76C F75D 14.4(5) . . ?
F76E F76C F75D 119.0(4) . . ?
C76A F76D F76B 84.7(4) . . ?
C76A F76E F76C 91.6(5) . . ?
F75B F76F C76A 44.5(6) . . ?
C86A F85A C85 52.0(4) . . ?
F85C F85B C85 104.5(15) . . ?
F85C F85B C85A 73.0(14) . . ?
C85 F85B C85A 31.6(3) . . ?
F85B F85C C85A 80.8(14) . . ?
F85B F85C C85 53.5(12) . . ?
C85A F85C C85 27.4(4) . . ?
C86 F86A C85A 48.4(4) . . ?
F86E F86B C86 109.8(4) . . ?
F86E F86B C86A 59.4(5) . . ?
C86 F86B C86A 52.9(3) . . ?
F86D F86C C86 81.3(4) . . ?
F86C F86D C86A 105.6(6) . . ?
F86C F86D C86 54.9(3) . . ?
C86A F86D C86 52.1(4) . . ?
F86B F86E C86A 83.2(6) . . ?
F86B F86E C86 41.7(3) . . ?
C86A F86E C86 43.8(4) . . ?
C2 C1 C9 112.45(16) . . ?
C2 C1 C71 109.08(16) . . ?
C9 C1 C71 109.16(16) . . ?
C2 C1 C6 108.67(16) . . ?
C9 C1 C6 100.28(16) . . ?
C71 C1 C6 117.05(17) . . ?
C3 C2 C12 119.15(18) . . ?
C3 C2 C1 118.40(18) . . ?
C12 C2 C1 120.23(17) . . ?
C2 C3 C15 120.78(18) . . ?
C2 C3 C4 124.77(18) . . ?
C15 C3 C4 108.09(17) . . ?
C5 C4 C17 111.77(17) . . ?
C5 C4 C3 108.69(16) . . ?
C17 C4 C3 100.29(16) . . ?
C5 C4 C73 109.13(16) . . ?
C17 C4 C73 109.16(16) . . ?
C3 C4 C73 117.59(17) . . ?
C6 C5 C20 118.75(19) . . ?
C6 C5 C4 118.47(18) . . ?
C20 C5 C4 120.48(18) . . ?
C5 C6 C7 121.25(19) . . ?
C5 C6 C1 124.98(18) . . ?
C7 C6 C1 108.54(18) . . ?
C22 C7 C6 121.1(2) . . ?
C22 C7 C8 120.6(2) . . ?
C6 C7 C8 109.53(18) . . ?
C25 C8 C9 120.1(2) . . ?
C25 C8 C7 120.2(2) . . ?
C9 C8 C7 108.09(18) . . ?
C10 C9 C8 118.88(18) . . ?
C10 C9 C1 123.29(18) . . ?
C8 C9 C1 110.90(18) . . ?
C9 C10 C27 121.48(19) . . ?
C9 C10 C11 119.60(18) . . ?
C27 C10 C11 109.11(18) . . ?
C29 C11 C12 122.00(19) . . ?
C29 C11 C10 108.81(18) . . ?
C12 C11 C10 121.33(18) . . ?
C13 C12 C11 115.40(18) . . ?
C13 C12 C2 119.00(18) . . ?
C11 C12 C2 120.29(18) . . ?
C12 C13 C14 121.23(19) . . ?
C12 C13 C31 121.35(19) . . ?
C14 C13 C31 107.90(18) . . ?
C15 C14 C13 118.70(19) . . ?
C15 C14 C33 120.69(19) . . ?
C13 C14 C33 108.76(19) . . ?
C14 C15 C3 121.00(19) . . ?
C14 C15 C16 119.46(19) . . ?
C3 C15 C16 110.10(18) . . ?
C35 C16 C17 121.11(19) . . ?
C35 C16 C15 120.19(19) . . ?
C17 C16 C15 108.27(18) . . ?
C18 C17 C16 118.68(19) . . ?
C18 C17 C4 123.12(19) . . ?
C16 C17 C4 110.83(17) . . ?
C17 C18 C37 120.6(2) . . ?
C17 C18 C19 120.3(2) . . ?
C37 C18 C19 108.65(19) . . ?
C39 C19 C20 121.4(2) . . ?
C39 C19 C18 108.5(2) . . ?
C20 C19 C18 120.75(19) . . ?
C19 C20 C21 115.7(2) . . ?
C19 C20 C5 120.63(19) . . ?
C21 C20 C5 118.4(2) . . ?
C22 C21 C20 121.5(2) . . ?
C22 C21 C41 108.9(2) . . ?
C20 C21 C41 121.9(2) . . ?
C7 C22 C21 118.6(2) . . ?
C7 C22 C23 123.3(2) . . ?
C21 C22 C23 110.8(2) . . ?
C75 C23 C24 115.7(3) . . ?
C75 C23 C42 107.8(3) . . ?
C24 C23 C42 108.6(2) . . ?
C75 C23 C22 113.1(4) . . ?
C24 C23 C22 110.47(18) . . ?
C42 C23 C22 99.9(2) . . ?
C75 C23 C75A 17.6(4) . . ?
C24 C23 C75A 104.7(5) . . ?
C42 C23 C75A 125.3(5) . . ?
C22 C23 C75A 107.6(5) . . ?
C45 C24 C25 110.7(2) . . ?
C45 C24 C23 125.9(2) . . ?
C25 C24 C23 120.3(2) . . ?
C8 C25 C26 120.9(2) . . ?
C8 C25 C24 120.8(2) . . ?
C26 C25 C24 108.5(2) . . ?
C27 C26 C25 119.55(19) . . ?
C27 C26 C46 124.1(2) . . ?
C25 C26 C46 108.67(19) . . ?
C26 C27 C10 118.7(2) . . ?
C26 C27 C28 123.40(18) . . ?
C10 C27 C28 108.79(18) . . ?
C48 C28 C27 107.12(18) . . ?
C48 C28 C29 108.62(18) . . ?
C27 C28 C29 100.97(16) . . ?
C48 C28 C77 111.18(17) . . ?
C27 C28 C77 118.05(18) . . ?
C29 C28 C77 110.18(18) . . ?
C11 C29 C30 121.23(19) . . ?
C11 C29 C28 110.45(18) . . ?
C30 C29 C28 123.30(18) . . ?
C31 C30 C29 116.24(19) . . ?
C31 C30 C50 117.7(2) . . ?
C29 C30 C50 119.2(2) . . ?
C30 C31 C13 120.78(19) . . ?
C30 C31 C32 122.5(2) . . ?
C13 C31 C32 107.47(19) . . ?
C52 C32 C33 119.2(2) . . ?
C52 C32 C31 120.3(2) . . ?
C33 C32 C31 108.60(19) . . ?
C34 C33 C32 119.2(2) . . ?
C34 C33 C14 120.33(19) . . ?
C32 C33 C14 107.25(19) . . ?
C33 C34 C54 121.2(2) . . ?
C33 C34 C35 119.16(19) . . ?
C54 C34 C35 109.1(2) . . ?
C16 C35 C36 119.7(2) . . ?
C16 C35 C34 120.16(19) . . ?
C36 C35 C34 108.90(19) . . ?
C37 C36 C35 119.0(2) . . ?
C37 C36 C55 123.1(2) . . ?
C35 C36 C55 110.16(19) . . ?
C36 C37 C18 120.7(2) . . ?
C36 C37 C38 121.4(2) . . ?
C18 C37 C38 106.7(2) . . ?
C57 C38 C39 120.0(2) . . ?
C57 C38 C37 119.3(2) . . ?
C39 C38 C37 108.1(2) . . ?
C19 C39 C40 121.7(2) . . ?
C19 C39 C38 108.1(2) . . ?
C40 C39 C38 121.1(2) . . ?
C41 C40 C39 116.3(2) . . ?
C41 C40 C59 117.8(2) . . ?
C39 C40 C59 118.7(2) . . ?
C40 C41 C21 120.6(2) . . ?
C40 C41 C42 122.9(2) . . ?
C21 C41 C42 108.3(2) . . ?
C43 C42 C41 119.4(3) . . ?
C43 C42 C23 122.6(2) . . ?
C41 C42 C23 110.2(2) . . ?
C42 C43 C60 119.0(2) . . ?
C42 C43 C44 124.4(2) . . ?
C60 C43 C44 109.9(3) . . ?
C62 C44 C45 109.0(2) . . ?
C62 C44 C43 99.1(2) . . ?
C45 C44 C43 109.5(2) . . ?
C62 C44 C79 112.2(2) . . ?
C45 C44 C79 112.7(2) . . ?
C43 C44 C79 113.5(2) . . ?
C24 C45 C44 122.0(2) . . ?
C24 C45 C46 109.8(2) . . ?
C44 C45 C46 123.9(2) . . ?
C47 C46 C26 106.67(19) . . ?
C47 C46 C81 110.4(2) . . ?
C26 C46 C81 111.97(18) . . ?
C47 C46 C45 109.34(19) . . ?
C26 C46 C45 100.89(18) . . ?
C81 C46 C45 116.8(2) . . ?
C48 C47 C63 107.9(2) . . ?
C48 C47 C46 125.5(2) . . ?
C63 C47 C46 121.5(2) . . ?
C47 C48 C49 109.7(2) . . ?
C47 C48 C28 124.9(2) . . ?
C49 C48 C28 121.2(2) . . ?
C50 C49 C64 121.1(2) . . ?
C50 C49 C48 123.4(2) . . ?
C64 C49 C48 107.4(2) . . ?
C49 C50 C51 116.0(2) . . ?
C49 C50 C30 118.0(2) . . ?
C51 C50 C30 118.8(2) . . ?
C66 C51 C50 122.1(3) . . ?
C66 C51 C52 108.8(2) . . ?
C50 C51 C52 121.8(2) . . ?
C32 C52 C53 121.5(2) . . ?
C32 C52 C51 118.6(2) . . ?
C53 C52 C51 109.6(2) . . ?
C54 C53 C52 119.4(2) . . ?
C54 C53 C67 124.1(2) . . ?
C52 C53 C67 108.2(2) . . ?
C53 C54 C34 119.3(2) . . ?
C53 C54 C55 123.4(2) . . ?
C34 C54 C55 109.10(19) . . ?
C56 C55 C54 107.8(2) . . ?
C56 C55 C36 109.0(2) . . ?
C54 C55 C36 100.58(18) . . ?
C56 C55 C83 112.4(2) . . ?
C54 C55 C83 114.9(2) . . ?
C36 C55 C83 111.5(2) . . ?
C68 C56 C57 107.1(2) . . ?
C68 C56 C55 125.2(2) . . ?
C57 C56 C55 122.4(2) . . ?
C38 C57 C58 119.2(2) . . ?
C38 C57 C56 120.6(2) . . ?
C58 C57 C56 108.2(2) . . ?
C69 C58 C59 121.6(2) . . ?
C69 C58 C57 106.8(3) . . ?
C59 C58 C57 122.0(2) . . ?
C60 C59 C58 116.5(3) . . ?
C60 C59 C40 117.7(3) . . ?
C58 C59 C40 118.6(2) . . ?
C59 C60 C61 120.2(3) . . ?
C59 C60 C43 122.5(3) . . ?
C61 C60 C43 109.1(2) . . ?
C70 C61 C60 121.8(2) . . ?
C70 C61 C62 122.5(3) . . ?
C60 C61 C62 107.6(3) . . ?
C63 C62 C61 118.6(3) . . ?
C63 C62 C44 123.8(2) . . ?
C61 C62 C44 111.0(2) . . ?
C62 C63 C64 120.3(2) . . ?
C62 C63 C47 123.3(3) . . ?
C64 C63 C47 107.5(2) . . ?
C49 C64 C65 122.1(3) . . ?
C49 C64 C63 107.5(2) . . ?
C65 C64 C63 122.1(2) . . ?
C66 C65 C64 115.7(2) . . ?
C66 C65 C70 120.0(2) . . ?
C64 C65 C70 117.7(3) . . ?
C65 C66 C51 120.8(2) . . ?
C65 C66 C67 124.1(2) . . ?
C51 C66 C67 109.6(2) . . ?
C68 C67 C53 108.2(2) . . ?
C68 C67 C85 105.7(2) . . ?
C53 C67 C85 123.0(3) . . ?
C68 C67 C66 108.8(2) . . ?
C53 C67 C66 101.81(19) . . ?
C85 C67 C66 108.8(2) . . ?
C68 C67 C85A 123.2(3) . . ?
C53 C67 C85A 97.1(4) . . ?
C85 C67 C85A 26.3(3) . . ?
C66 C67 C85A 114.6(3) . . ?
C56 C68 C69 110.1(2) . . ?
C56 C68 C67 124.3(3) . . ?
C69 C68 C67 121.4(2) . . ?
C58 C69 C70 121.2(3) . . ?
C58 C69 C68 107.8(2) . . ?
C70 C69 C68 122.4(2) . . ?
C61 C70 C69 116.6(3) . . ?
C61 C70 C65 118.1(2) . . ?
C69 C70 C65 118.0(3) . . ?
F71A C71 F71B 106.96(18) . . ?
F71A C71 C72 106.02(17) . . ?
F71B C71 C72 107.32(18) . . ?
F71A C71 C1 110.36(17) . . ?
F71B C71 C1 107.78(16) . . ?
C72 C71 C1 117.90(19) . . ?
F72C C72 F72A 108.43(19) . . ?
F72C C72 F72B 108.4(2) . . ?
F72A C72 F72B 107.8(2) . . ?
F72C C72 C71 110.1(2) . . ?
F72A C72 C71 110.62(19) . . ?
F72B C72 C71 111.37(18) . . ?
F73A C73 F73B 106.50(16) . . ?
F73A C73 C74 106.52(17) . . ?
F73B C73 C74 106.82(17) . . ?
F73A C73 C4 111.25(16) . . ?
F73B C73 C4 108.02(17) . . ?
C74 C73 C4 117.17(17) . . ?
F74A C74 F74C 108.10(18) . . ?
F74A C74 F74B 108.08(19) . . ?
F74C C74 F74B 108.03(18) . . ?
F74A C74 C73 111.20(17) . . ?
F74C C74 C73 110.32(18) . . ?
F74B C74 C73 111.00(18) . . ?
C75A C75 F75C 87(2) . . ?
C75A C75 F75B 117(2) . . ?
F75C C75 F75B 116.1(7) . . ?
C75A C75 F75A 111(2) . . ?
F75C C75 F75A 24.3(5) . . ?
F75B C75 F75A 106.7(5) . . ?
C75A C75 C23 101(2) . . ?
F75C C75 C23 122.3(8) . . ?
F75B C75 C23 109.8(5) . . ?
F75A C75 C23 110.6(6) . . ?
C75A C75 C76 14(2) . . ?
F75C C75 C76 82.4(7) . . ?
F75B C75 C76 108.0(7) . . ?
F75A C75 C76 106.6(6) . . ?
C23 C75 C76 114.7(5) . . ?
C75A C75 C76A 80(2) . . ?
F75C C75 C76A 111.6(8) . . ?
F75B C75 C76A 37.5(4) . . ?
F75A C75 C76A 119.0(6) . . ?
C23 C75 C76A 126.1(6) . . ?
C76 C75 C76A 70.6(7) . . ?
C75A C75 F75D 5(2) . . ?
F75C C75 F75D 85.6(7) . . ?
F75B C75 F75D 122.0(6) . . ?
F75A C75 F75D 108.9(5) . . ?
C23 C75 F75D 98.5(4) . . ?
C76 C75 F75D 17.4(4) . . ?
C76A C75 F75D 84.9(5) . . ?
C75 C75A C76 159(3) . . ?
C75 C75A F75D 173(3) . . ?
C76 C75A F75D 25.8(6) . . ?
C75 C75A F75C 70(2) . . ?
C76 C75A F75C 101.7(13) . . ?
F75D C75A F75C 107.8(11) . . ?
C75 C75A C76A 80(2) . . ?
C76 C75A C76A 84.7(11) . . ?
F75D C75A C76A 106.2(9) . . ?
F75C C75A C76A 107.1(10) . . ?
C75 C75A F75A 51(2) . . ?
C76 C75A F75A 120.2(13) . . ?
F75D C75A F75A 125.3(10) . . ?
F75C C75A F75A 18.7(6) . . ?
C76A C75A F75A 104.5(8) . . ?
C75 C75A F75B 46.4(19) . . ?
C76 C75A F75B 118.7(12) . . ?
F75D C75A F75B 140.1(10) . . ?
F75C C75A F75B 94.6(9) . . ?
C76A C75A F75B 34.3(4) . . ?
F75A C75A F75B 83.1(6) . . ?
C75 C75A C23 61(2) . . ?
C76 C75A C23 138.9(11) . . ?
F75D C75A C23 114.8(9) . . ?
F75C C75A C23 105.8(9) . . ?
C76A C75A C23 114.7(9) . . ?
F75A C75A C23 90.9(6) . . ?
F75B C75A C23 88.9(6) . . ?
C75 C75A F76B 145(3) . . ?
C76 C75A F76B 39.9(8) . . ?
F75D C75A F76B 39.8(5) . . ?
F75C C75A F76B 141.7(10) . . ?
C76A C75A F76B 75.1(6) . . ?
F75A C75A F76B 160.0(9) . . ?
F75B C75A F76B 104.3(7) . . ?
C23 C75A F76B 107.5(8) . . ?
C75 C75A F76A 146(3) . . ?
C76 C75A F76A 44.3(8) . . ?
F75D C75A F76A 29.0(4) . . ?
F75C C75A F76A 82.4(8) . . ?
C76A C75A F76A 128.5(8) . . ?
F75A C75A F76A 98.2(7) . . ?
F75B C75A F76A 160.6(9) . . ?
C23 C75A F76A 110.4(7) . . ?
F76B C75A F76A 68.7(5) . . ?
F75D C76 C75A 106(2) . . ?
F75D C76 F76B 70.0(13) . . ?
C75A C76 F76B 108.7(12) . . ?
F75D C76 F76C 132.4(18) . . ?
C75A C76 F76C 117.8(9) . . ?
F76B C76 F76C 110.1(9) . . ?
F75D C76 F76A 39.3(13) . . ?
C75A C76 F76A 103.9(12) . . ?
F76B C76 F76A 107.6(7) . . ?
F76C C76 F76A 108.1(7) . . ?
F75D C76 C75 112.5(18) . . ?
C75A C76 C75 6.9(9) . . ?
F76B C76 C75 111.7(7) . . ?
F76C C76 C75 111.0(6) . . ?
F76A C76 C75 108.2(8) . . ?
F75D C76 C76A 146.5(17) . . ?
C75A C76 C76A 60.0(9) . . ?
F76B C76 C76A 85.6(7) . . ?
F76C C76 C76A 76.8(6) . . ?
F76A C76 C76A 162.5(9) . . ?
C75 C76 C76A 55.1(5) . . ?
F75D C76 F75C 112.8(19) . . ?
C75A C76 F75C 45.0(10) . . ?
F76B C76 F75C 153.7(8) . . ?
F76C C76 F75C 87.6(6) . . ?
F76A C76 F75C 83.8(7) . . ?
C75 C76 F75C 42.2(5) . . ?
C76A C76 F75C 79.6(6) . . ?
F75B C76A F76F 33.8(4) . . ?
F75B C76A F76E 122.9(7) . . ?
F76F C76A F76E 109.3(6) . . ?
F75B C76A F76D 123.2(8) . . ?
F76F C76A F76D 108.4(7) . . ?
F76E C76A F76D 107.2(7) . . ?
F75B C76A C75A 79.0(7) . . ?
F76F C76A C75A 112.9(8) . . ?
F76E C76A C75A 109.4(8) . . ?
F76D C76A C75A 109.6(7) . . ?
F75B C76A C75 59.8(6) . . ?
F76F C76A C75 93.6(7) . . ?
F76E C76A C75 116.1(6) . . ?
F76D C76A C75 120.8(6) . . ?
C75A C76A C75 19.4(4) . . ?
F75B C76A C76 114.1(7) . . ?
F76F C76A C76 147.8(8) . . ?
F76E C76A C76 86.2(6) . . ?
F76D C76A C76 92.7(6) . . ?
C75A C76A C76 35.3(6) . . ?
C75 C76A C76 54.3(5) . . ?
F77A C77 F77B 106.83(19) . . ?
F77A C77 C78 106.08(18) . . ?
F77B C77 C78 107.42(19) . . ?
F77A C77 C28 110.71(18) . . ?
F77B C77 C28 108.23(18) . . ?
C78 C77 C28 117.09(18) . . ?
F78B C78 F78C 107.95(18) . . ?
F78B C78 F78A 108.85(19) . . ?
F78C C78 F78A 108.16(19) . . ?
F78B C78 C77 110.61(19) . . ?
F78C C78 C77 109.99(19) . . ?
F78A C78 C77 111.18(18) . . ?
F79A C79 F79B 109.1(3) . . ?
F79A C79 C80 105.9(2) . . ?
F79B C79 C80 105.5(3) . . ?
F79A C79 C44 108.4(2) . . ?
F79B C79 C44 109.9(3) . . ?
C80 C79 C44 117.7(3) . . ?
F80A C80 F80C 108.6(2) . . ?
F80A C80 F80B 107.9(3) . . ?
F80C C80 F80B 108.2(2) . . ?
F80A C80 C79 112.5(2) . . ?
F80C C80 C79 109.9(3) . . ?
F80B C80 C79 109.7(2) . . ?
F82B C81 F82A 107.2(2) . . ?
F82B C81 C82 106.3(2) . . ?
F82A C81 C82 107.0(2) . . ?
F82B C81 C46 107.72(19) . . ?
F82A C81 C46 109.9(2) . . ?
C82 C81 C46 118.1(2) . . ?
F81A C82 F81B 107.8(3) . . ?
F81A C82 F82C 108.2(2) . . ?
F81B C82 F82C 107.9(2) . . ?
F81A C82 C81 112.0(2) . . ?
F81B C82 C81 111.1(2) . . ?
F82C C82 C81 109.7(3) . . ?
F83B C83 F83A 107.3(2) . . ?
F83B C83 C84 106.8(2) . . ?
F83A C83 C84 106.5(2) . . ?
F83B C83 C55 109.9(2) . . ?
F83A C83 C55 108.6(2) . . ?
C84 C83 C55 117.3(2) . . ?
F84A C84 F84C 108.1(2) . . ?
F84A C84 F84B 107.3(2) . . ?
F84C C84 F84B 107.2(2) . . ?
F84A C84 C83 111.3(2) . . ?
F84C C84 C83 111.7(2) . . ?
F84B C84 C83 111.0(2) . . ?
C85A C85 C86A 102.7(9) . . ?
C85A C85 F85B 78.2(7) . . ?
C86A C85 F85B 106.2(5) . . ?
C85A C85 F85A 154.8(8) . . ?
C86A C85 F85A 52.2(4) . . ?
F85B C85 F85A 104.3(3) . . ?
C85A C85 C86 49.6(7) . . ?
C86A C85 C86 56.1(5) . . ?
F85B C85 C86 106.5(4) . . ?
F85A C85 C86 107.0(3) . . ?
C85A C85 C67 88.1(7) . . ?
C86A C85 C67 144.2(5) . . ?
F85B C85 C67 109.4(3) . . ?
F85A C85 C67 113.8(3) . . ?
C86 C85 C67 115.0(3) . . ?
C85A C85 F85C 56.3(8) . . ?
C86A C85 F85C 110.3(6) . . ?
F85B C85 F85C 22.0(4) . . ?
F85A C85 F85C 124.5(5) . . ?
C86 C85 F85C 90.7(5) . . ?
C67 C85 F85C 104.0(5) . . ?
C85 C85A C86 101.5(9) . . ?
C85 C85A F85C 96.3(9) . . ?
C86 C85A F85C 123.3(8) . . ?
C85 C85A F85B 70.2(7) . . ?
C86 C85A F85B 125.7(7) . . ?
F85C C85A F85B 26.2(4) . . ?
C85 C85A C86A 48.7(7) . . ?
C86 C85A C86A 55.9(5) . . ?
F85C C85A C86A 106.3(8) . . ?
F85B C85A C86A 87.1(6) . . ?
C85 C85A F86A 153.3(10) . . ?
C86 C85A F86A 52.3(4) . . ?
F85C C85A F86A 103.1(7) . . ?
F85B C85A F86A 126.9(6) . . ?
C86A C85A F86A 107.4(6) . . ?
C85 C85A C67 65.7(7) . . ?
C86 C85A C67 127.2(6) . . ?
F85C C85A C67 109.3(7) . . ?
F85B C85A C67 99.0(5) . . ?
C86A C85A C67 107.0(6) . . ?
F86A C85A C67 122.8(5) . . ?
C85A C86 F86A 79.2(5) . . ?
C85A C86 C86A 75.4(6) . . ?
F86A C86 C86A 152.0(5) . . ?
C85A C86 F86C 125.3(5) . . ?
F86A C86 F86C 109.4(3) . . ?
C86A C86 F86C 94.9(5) . . ?
C85A C86 F86B 119.5(5) . . ?
F86A C86 F86B 111.3(3) . . ?
C86A C86 F86B 72.5(4) . . ?
F86C C86 F86B 107.4(3) . . ?
C85A C86 C85 28.8(4) . . ?
F86A C86 C85 107.9(3) . . ?
C86A C86 C85 48.3(4) . . ?
F86C C86 C85 111.0(3) . . ?
F86B C86 C85 109.9(3) . . ?
C85A C86 F86D 113.3(6) . . ?
F86A C86 F86D 153.1(4) . . ?
C86A C86 F86D 52.3(5) . . ?
F86C C86 F86D 43.8(3) . . ?
F86B C86 F86D 83.9(3) . . ?
C85 C86 F86D 85.9(3) . . ?
C85A C86 F86E 97.5(5) . . ?
F86A C86 F86E 128.4(3) . . ?
C86A C86 F86E 45.8(4) . . ?
F86C C86 F86E 113.6(3) . . ?
F86B C86 F86E 28.5(2) . . ?
C85 C86 F86E 82.1(3) . . ?
F86D C86 F86E 75.3(3) . . ?
C85 C86A F85A 75.7(6) . . ?
C85 C86A C86 75.6(5) . . ?
F85A C86A C86 147.7(7) . . ?
C85 C86A F86D 118.1(7) . . ?
F85A C86A F86D 105.7(7) . . ?
C86 C86A F86D 75.6(6) . . ?
C85 C86A F86E 126.4(8) . . ?
F85A C86A F86E 118.7(7) . . ?
C86 C86A F86E 90.4(6) . . ?
F86D C86A F86E 107.3(7) . . ?
C85 C86A C85A 28.7(4) . . ?
F85A C86A C85A 104.4(7) . . ?
C86 C86A C85A 48.7(5) . . ?
F86D C86A C85A 111.0(7) . . ?
F86E C86A C85A 109.7(7) . . ?
C85 C86A F86B 117.1(7) . . ?
F85A C86A F86B 156.2(7) . . ?
C86 C86A F86B 54.6(4) . . ?
F86D C86A F86B 86.4(5) . . ?
F86E C86A F86B 37.5(4) . . ?
C85A C86A F86B 89.7(6) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
F71A C71 1.353(2) . ?
F71B C71 1.356(3) . ?
F72A C72 1.325(3) . ?
F72B C72 1.328(3) . ?
F72C C72 1.324(3) . ?
F73A C73 1.345(2) . ?
F73B C73 1.357(2) . ?
F74A C74 1.321(3) . ?
F74B C74 1.322(3) . ?
F74C C74 1.322(3) . ?
F75A F75C 0.559(10) . ?
F75A C75 1.358(9) . ?
F75A C75A 1.620(14) . ?
F75B F76F 0.752(6) . ?
F75B C76A 0.947(9) . ?
F75B C75 1.345(8) . ?
F75B C75A 1.650(13) . ?
F75C C75 1.245(14) . ?
F75C C75A 1.327(19) . ?
F75C C76 1.838(14) . ?
F75D C76 0.597(9) . ?
F75D F76A 0.979(7) . ?
F75D F76B 1.206(8) . ?
F75D C75A 1.324(14) . ?
F75D F76C 1.768(9) . ?
F75D C75 1.841(11) . ?
F76A C76 1.366(11) . ?
F76A C75A 1.898(13) . ?
F76B C76 1.272(10) . ?
F76B F76D 1.746(8) . ?
F76B C75A 1.877(13) . ?
F76C C76 1.309(8) . ?
F76C F76E 1.389(6) . ?
F76D C76A 1.342(9) . ?
F76E C76A 1.330(9) . ?
F76F C76A 1.323(11) . ?
F77A C77 1.346(3) . ?
F77B C77 1.353(3) . ?
F78A C78 1.325(3) . ?
F78B C78 1.322(3) . ?
F78C C78 1.323(3) . ?
F79A C79 1.345(4) . ?
F79B C79 1.348(4) . ?
F80A C80 1.303(3) . ?
F80B C80 1.336(4) . ?
F80C C80 1.323(3) . ?
F81A C82 1.330(3) . ?
F81B C82 1.331(3) . ?
F82A C81 1.351(3) . ?
F82B C81 1.350(3) . ?
F82C C82 1.333(3) . ?
F83A C83 1.357(3) . ?
F83B C83 1.348(3) . ?
F84A C84 1.324(3) . ?
F84B C84 1.336(3) . ?
F84C C84 1.327(3) . ?
F85A C86A 1.174(8) . ?
F85A C85 1.439(5) . ?
F85B F85C 0.624(9) . ?
F85B C85 1.341(6) . ?
F85B C85A 1.395(9) . ?
F85C C85A 1.352(14) . ?
F85C C85 1.615(11) . ?
F86A C86 1.249(4) . ?
F86A C85A 1.551(10) . ?
F86B F86E 0.954(7) . ?
F86B C86 1.331(4) . ?
F86B C86A 1.557(9) . ?
F86C F86D 1.119(7) . ?
F86C C86 1.324(4) . ?
F86D C86A 1.306(10) . ?
F86D C86 1.599(7) . ?
F86E C86A 1.350(10) . ?
F86E C86 1.883(7) . ?
C1 C2 1.529(3) . ?
C1 C9 1.537(3) . ?
C1 C71 1.553(3) . ?
C1 C6 1.554(3) . ?
C2 C3 1.378(3) . ?
C2 C12 1.458(3) . ?
C3 C15 1.435(3) . ?
C3 C4 1.558(3) . ?
C4 C5 1.533(3) . ?
C4 C17 1.538(3) . ?
C4 C73 1.559(3) . ?
C5 C6 1.375(3) . ?
C5 C20 1.451(3) . ?
C6 C7 1.430(3) . ?
C7 C22 1.371(3) . ?
C7 C8 1.458(3) . ?
C8 C25 1.387(3) . ?
C8 C9 1.405(3) . ?
C9 C10 1.381(3) . ?
C10 C27 1.428(3) . ?
C10 C11 1.458(3) . ?
C11 C29 1.391(3) . ?
C11 C12 1.427(3) . ?
C12 C13 1.405(3) . ?
C13 C14 1.428(3) . ?
C13 C31 1.442(3) . ?
C14 C15 1.385(3) . ?
C14 C33 1.448(3) . ?
C15 C16 1.442(3) . ?
C16 C35 1.405(3) . ?
C16 C17 1.409(3) . ?
C17 C18 1.374(3) . ?
C18 C37 1.432(3) . ?
C18 C19 1.458(3) . ?
C19 C39 1.412(3) . ?
C19 C20 1.417(3) . ?
C20 C21 1.422(3) . ?
C21 C22 1.412(3) . ?
C21 C41 1.435(3) . ?
C22 C23 1.532(3) . ?
C23 C75 1.512(8) . ?
C23 C24 1.521(3) . ?
C23 C42 1.530(4) . ?
C23 C75A 1.691(14) . ?
C24 C45 1.342(4) . ?
C24 C25 1.467(3) . ?
C25 C26 1.414(3) . ?
C26 C27 1.385(3) . ?
C26 C46 1.538(3) . ?
C27 C28 1.537(3) . ?
C28 C48 1.510(3) . ?
C28 C29 1.540(3) . ?
C28 C77 1.560(3) . ?
C29 C30 1.425(3) . ?
C30 C31 1.396(3) . ?
C30 C50 1.473(3) . ?
C31 C32 1.449(3) . ?
C32 C52 1.384(3) . ?
C32 C33 1.428(3) . ?
C33 C34 1.392(3) . ?
C34 C54 1.440(3) . ?
C34 C35 1.448(3) . ?
C35 C36 1.417(3) . ?
C36 C37 1.378(3) . ?
C36 C55 1.547(3) . ?
C37 C38 1.466(3) . ?
C38 C57 1.381(3) . ?
C38 C39 1.453(4) . ?
C39 C40 1.430(3) . ?
C40 C41 1.405(4) . ?
C40 C59 1.447(4) . ?
C41 C42 1.435(3) . ?
C42 C43 1.357(4) . ?
C43 C60 1.442(4) . ?
C43 C44 1.542(4) . ?
C44 C62 1.528(4) . ?
C44 C45 1.534(3) . ?
C44 C79 1.560(3) . ?
C45 C46 1.566(3) . ?
C46 C47 1.497(4) . ?
C46 C81 1.555(3) . ?
C47 C48 1.358(4) . ?
C47 C63 1.465(3) . ?
C48 C49 1.457(3) . ?
C49 C50 1.394(4) . ?
C49 C64 1.416(3) . ?
C50 C51 1.424(3) . ?
C51 C66 1.413(4) . ?
C51 C52 1.448(4) . ?
C52 C53 1.439(3) . ?
C53 C54 1.372(4) . ?
C53 C67 1.536(4) . ?
C54 C55 1.545(3) . ?
C55 C56 1.515(4) . ?
C55 C83 1.552(3) . ?
C56 C68 1.361(4) . ?
C56 C57 1.465(4) . ?
C57 C58 1.452(4) . ?
C58 C69 1.406(4) . ?
C58 C59 1.420(4) . ?
C59 C60 1.417(4) . ?
C60 C61 1.427(4) . ?
C61 C70 1.410(4) . ?
C61 C62 1.447(4) . ?
C62 C63 1.364(4) . ?
C63 C64 1.436(4) . ?
C64 C65 1.416(3) . ?
C65 C66 1.402(4) . ?
C65 C70 1.461(4) . ?
C66 C67 1.540(4) . ?
C67 C68 1.508(4) . ?
C67 C85 1.540(4) . ?
C67 C85A 1.689(8) . ?
C68 C69 1.463(4) . ?
C69 C70 1.414(4) . ?
C71 C72 1.537(3) . ?
C73 C74 1.545(3) . ?
C75 C75A 0.520(10) . ?
C75 C76 1.528(10) . ?
C75 C76A 1.543(12) . ?
C75A C76 1.031(16) . ?
C75A C76A 1.543(15) . ?
C76 C76A 1.774(13) . ?
C77 C78 1.531(3) . ?
C79 C80 1.540(4) . ?
C81 C82 1.521(4) . ?
C83 C84 1.531(4) . ?
C85 C85A 0.748(8) . ?
C85 C86A 1.171(9) . ?
C85 C86 1.519(5) . ?
C85A C86 1.181(9) . ?
C85A C86A 1.521(12) . ?
C86 C86A 1.303(9) . ?
