#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:21:59 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179687 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/09/7000970.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_7000970
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            'C90 F50'
_chemical_formula_weight         2030.90
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 106.7446(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.6075(2)
_cell_length_b                   25.2241(2)
_cell_length_c                   26.2805(3)
_cell_measurement_reflns_used    80000
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32
_cell_measurement_theta_min      5
_cell_volume                     13081.5(2)
_computing_cell_refinement       HKL2000
_computing_data_collection       DENZO/Scalepack
_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 0.946
_diffrn_measured_fraction_theta_max 0.780
_diffrn_measurement_device_type  MAR225
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  Cu(113)
_diffrn_radiation_source         'BL 14.1, PSF, BESSY, Berlin, Germany'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.90500
_diffrn_reflns_av_R_equivalents  0.0724
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            116745
_diffrn_reflns_theta_full        32.60
_diffrn_reflns_theta_max         35.91
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    0.221
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.062
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             7920
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.762
_refine_diff_density_min         -0.427
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.291
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2558
_refine_ls_number_reflns         23271
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.291
_refine_ls_R_factor_all          0.0910
_refine_ls_R_factor_gt           0.0731
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0800P)²+10.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1877
_refine_ls_wR_factor_ref         0.1966
_reflns_number_gt                17560
_reflns_number_total             23271
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b817829a.txt
_cod_data_source_block           70f5p12
_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      P2(1)/n
_cod_database_code               7000970
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
F1 F 0.68483(12) 0.24171(10) 0.67516(8) 0.0545(6) Uani 1 1 d . . .
F2 F 0.64023(12) 0.30143(10) 0.71469(9) 0.0594(6) Uani 1 1 d . . .
F3 F 0.62321(14) 0.16349(11) 0.71359(10) 0.0693(7) Uani 1 1 d . . .
F4 F 0.55553(13) 0.22347(11) 0.66937(10) 0.0661(7) Uani 1 1 d . . .
F5 F 0.57918(14) 0.22059(14) 0.75455(11) 0.0801(9) Uani 1 1 d . . .
F6 F 0.78923(12) 0.19076(9) 0.66419(8) 0.0546(6) Uani 1 1 d . . .
F7 F 0.89787(13) 0.20381(9) 0.68066(9) 0.0552(6) Uani 1 1 d . . .
F8 F 0.85054(15) 0.10948(10) 0.63769(9) 0.0658(7) Uani 1 1 d . . .
F9 F 0.92250(16) 0.10329(11) 0.71463(11) 0.0753(8) Uani 1 1 d . . .
F10 F 0.81631(17) 0.08981(10) 0.70529(11) 0.0755(8) Uani 1 1 d . . .
F11 F 0.83590(12) 0.51085(9) 0.80415(9) 0.0546(6) Uani 1 1 d . . .
F12 F 0.86557(13) 0.46966(9) 0.74172(9) 0.0561(6) Uani 1 1 d . . .
F13 F 0.73699(14) 0.43583(10) 0.69872(10) 0.0673(7) Uani 1 1 d . . .
F14 F 0.70431(13) 0.47558(11) 0.75938(11) 0.0676(7) Uani 1 1 d . . .
F15 F 0.74849(15) 0.52051(10) 0.70852(11) 0.0701(7) Uani 1 1 d . . .
F16 F 0.76254(13) 0.50706(10) 0.86923(10) 0.0611(6) Uani 1 1 d . . .
F17 F 0.67897(12) 0.45244(11) 0.86228(11) 0.0690(7) Uani 1 1 d . . .
F18 F 0.69832(14) 0.52757(10) 0.93929(10) 0.0634(6) Uani 1 1 d . . .
F19 F 0.79653(14) 0.49545(11) 0.97824(10) 0.0716(7) Uani 1 1 d . . .
F20 F 0.70713(18) 0.44854(11) 0.96818(14) 0.0858(10) Uani 1 1 d . . .
F21 F 0.99585(12) 0.44916(8) 0.75218(9) 0.0526(5) Uani 1 1 d . . .
F22 F 1.06730(12) 0.38348(9) 0.76184(9) 0.0560(6) Uani 1 1 d . . .
F23 F 0.90585(13) 0.39542(10) 0.67248(9) 0.0604(6) Uani 1 1 d . . .
F24 F 1.00479(15) 0.40663(10) 0.66169(10) 0.0657(7) Uani 1 1 d . . .
F25 F 0.97594(14) 0.32958(9) 0.68324(10) 0.0612(6) Uani 1 1 d . . .
F26 F 0.92673(13) 0.01840(10) 0.95969(10) 0.0631(6) Uani 1 1 d . . .
F27 F 0.86913(14) 0.01165(9) 0.87693(10) 0.0600(6) Uani 1 1 d . . .
F28 F 0.81103(15) -0.03951(10) 0.93867(13) 0.0755(8) Uani 1 1 d . . .
F29 F 0.75180(15) 0.02939(12) 0.90726(14) 0.0817(9) Uani 1 1 d . . .
F30 F 0.81342(18) 0.02857(12) 0.98875(13) 0.0861(9) Uani 1 1 d . . .
F31 F 1.03585(12) 0.09592(9) 0.81800(9) 0.0543(5) Uani 1 1 d . . .
F32 F 0.96867(13) 0.03940(9) 0.83978(11) 0.0630(6) Uani 1 1 d . . .
F33 F 1.09874(14) 0.01631(10) 0.88100(11) 0.0693(7) Uani 1 1 d . . .
F34 F 1.12091(14) 0.09290(12) 0.91729(12) 0.0763(8) Uani 1 1 d . . .
F35 F 1.05486(17) 0.03980(13) 0.94248(12) 0.0879(10) Uani 1 1 d . . .
F36 F 1.12947(12) 0.44458(10) 0.93437(10) 0.0596(6) Uani 1 1 d . . .
F37 F 1.10239(12) 0.44165(9) 0.84819(10) 0.0569(6) Uani 1 1 d . . .
F38 F 1.00333(15) 0.51770(10) 0.84608(13) 0.0778(8) Uani 1 1 d . . .
F39 F 1.10622(15) 0.53922(10) 0.88602(14) 0.0776(8) Uani 1 1 d . . .
F40 F 1.03791(16) 0.52006(11) 0.93128(13) 0.0802(8) Uani 1 1 d . . .
F41 F 0.97020(15) 0.13880(13) 1.10166(10) 0.0742(8) Uani 1 1 d . . .
F42 F 0.97984(14) 0.07420(10) 1.04888(10) 0.0672(7) Uani 1 1 d . . .
F43 F 1.09668(14) 0.09650(12) 1.12010(10) 0.0704(7) Uani 1 1 d . . .
F44 F 1.09017(16) 0.17834(13) 1.09958(13) 0.0871(9) Uani 1 1 d . . .
F45 F 1.09901(14) 0.12085(15) 1.04241(10) 0.0838(9) Uani 1 1 d . . .
F46 F 1.14898(13) 0.31571(10) 1.06282(12) 0.0724(8) Uani 1 1 d . . .
F47 F 1.16240(13) 0.38720(12) 1.02022(10) 0.0679(7) Uani 1 1 d . . .
F48 F 1.17073(13) 0.39767(11) 1.12544(9) 0.0658(7) Uani 1 1 d . . .
F49 F 1.09472(14) 0.44480(10) 1.07009(11) 0.0660(7) Uani 1 1 d . . .
F50 F 1.06487(14) 0.37802(12) 1.10778(10) 0.0693(7) Uani 1 1 d . . .
F51 F 1.29250(17) -0.37109(15) 0.76144(13) 0.0949(10) Uani 1 1 d . . .
F52 F 1.33119(19) -0.37515(18) 0.69257(14) 0.1113(13) Uani 1 1 d . . .
F53 F 1.37598(18) -0.29023(16) 0.80237(13) 0.0966(10) Uani 1 1 d . . .
F54 F 1.41148(19) -0.2892(2) 0.73418(15) 0.141(2) Uani 1 1 d . . .
F55 F 1.42779(18) -0.3589(2) 0.78375(14) 0.1206(15) Uani 1 1 d . . .
F56 F 1.2002(3) -0.3464(2) 0.80490(15) 0.162(3) Uani 1 1 d . . .
F57 F 1.0860(3) -0.34660(19) 0.78140(16) 0.1129(13) Uani 1 1 d . . .
F58 F 1.0943(2) -0.25811(18) 0.83962(13) 0.0949(14) Uani 0.862(5) 1 d P . .
F58A F 1.1186(8) -0.3913(5) 0.7837(6) 0.044(4) Uani 0.138(5) 1 d P . .
F59 F 1.1517(3) -0.3239(3) 0.88163(16) 0.128(2) Uani 0.862(5) 1 d P . .
F59A F 1.0446(8) -0.3299(8) 0.7923(8) 0.061(6) Uani 0.138(5) 1 d P . .
F60 F 1.1990(3) -0.2571(3) 0.85663(15) 0.132(2) Uani 0.862(5) 1 d P . .
F60A F 1.1192(12) -0.3597(8) 0.8569(7) 0.066(6) Uani 0.138(5) 1 d P . .
F61 F 1.09338(14) -0.44107(10) 0.46966(10) 0.0646(6) Uani 1 1 d . . .
F62 F 1.06945(15) -0.46521(11) 0.54160(12) 0.0735(7) Uani 1 1 d . . .
F63 F 1.22884(15) -0.44814(11) 0.52184(12) 0.0742(7) Uani 1 1 d . . .
F64 F 1.17386(17) -0.51877(12) 0.52711(15) 0.0863(9) Uani 1 1 d . . .
F65 F 1.20587(19) -0.46703(15) 0.59444(12) 0.0957(11) Uani 1 1 d . . .
F66 F 1.27593(13) -0.35714(10) 0.48559(9) 0.0600(6) Uani 1 1 d . . .
F67 F 1.17798(13) -0.38623(10) 0.43379(9) 0.0609(6) Uani 1 1 d . . .
F68 F 1.16833(13) -0.29381(10) 0.37591(10) 0.0614(6) Uani 1 1 d . . .
F69 F 1.25192(14) -0.34645(11) 0.37858(10) 0.0667(7) Uani 1 1 d . . .
F70 F 1.26958(15) -0.27381(11) 0.42302(11) 0.0691(7) Uani 1 1 d . . .
F71 F 0.88613(14) -0.39809(11) 0.58773(12) 0.0713(7) Uani 1 1 d . . .
F72 F 0.94370(15) -0.44622(11) 0.54732(12) 0.0735(7) Uani 1 1 d . . .
F73 F 1.03268(17) -0.47134(13) 0.64268(15) 0.0933(10) Uani 1 1 d . . .
F74 F 0.97850(18) -0.42037(14) 0.68288(13) 0.0894(9) Uani 1 1 d . . .
F75 F 0.92747(18) -0.48711(13) 0.63704(15) 0.0935(10) Uani 1 1 d . . .
F76 F 1.19575(17) -0.06853(16) 0.81192(11) 0.0950(10) Uani 1 1 d . . .
F77 F 1.14308(19) -0.01020(16) 0.75404(14) 0.1096(13) Uani 1 1 d . . .
F78 F 1.30929(18) -0.05081(18) 0.77933(15) 0.1064(12) Uani 1 1 d . . .
F79 F 1.2576(3) 0.00875(17) 0.72562(16) 0.1234(15) Uani 1 1 d . . .
F80 F 1.2693(2) 0.01684(19) 0.80926(15) 0.1201(14) Uani 1 1 d . . .
F81 F 1.08103(14) -0.11695(13) 0.81052(10) 0.0737(8) Uani 1 1 d . . .
F82 F 0.99598(14) -0.17090(12) 0.78008(10) 0.0687(7) Uani 1 1 d . . .
F83 F 0.96002(15) -0.07320(13) 0.80056(11) 0.0774(8) Uani 1 1 d . . .
F84 F 1.0092(3) -0.03852(16) 0.74748(17) 0.1210(15) Uani 1 1 d . . .
F85 F 0.92625(19) -0.09202(19) 0.71777(12) 0.1139(14) Uani 1 1 d . . .
F86 F 0.84864(13) -0.36787(10) 0.48986(11) 0.0652(6) Uani 1 1 d . . .
F87 F 0.82898(13) -0.30080(10) 0.43601(11) 0.0653(6) Uani 1 1 d . . .
F88 F 0.89799(16) -0.34492(13) 0.37537(11) 0.0797(8) Uani 1 1 d . . .
F89 F 0.82266(15) -0.39707(13) 0.38955(12) 0.0807(8) Uani 1 1 d . . .
F90 F 0.92835(16) -0.41095(12) 0.42923(12) 0.0778(8) Uani 1 1 d . . .
F91 F 1.09486(17) 0.02336(13) 0.65377(12) 0.0859(9) Uani 1 1 d . . .
F92 F 1.08151(18) 0.02345(11) 0.56869(13) 0.0814(8) Uani 1 1 d . . .
F93 F 0.97707(17) 0.06347(11) 0.59846(13) 0.0795(8) Uani 1 1 d . . .
F94 F 0.96275(18) -0.01020(13) 0.63435(14) 0.0909(10) Uani 1 1 d . . .
F95 F 0.95119(17) -0.00661(13) 0.55060(13) 0.0898(9) Uani 1 1 d . . .
F96 F 0.90976(13) -0.14173(10) 0.39037(9) 0.0578(6) Uani 1 1 d . . .
F97 F 0.84720(14) -0.20976(11) 0.39652(10) 0.0684(7) Uani 1 1 d . . .
F98 F 0.86400(15) -0.09644(13) 0.47302(12) 0.0796(8) Uani 1 1 d . . .
F99 F 0.79132(15) -0.11007(12) 0.39754(11) 0.0752(8) Uani 1 1 d . . .
F100 F 0.79598(15) -0.16116(15) 0.46402(13) 0.0895(10) Uani 1 1 d . . .
C1 C 0.72502(19) 0.24713(15) 0.76986(14) 0.0439(8) Uani 1 1 d . . .
C2 C 0.78327(19) 0.27983(15) 0.76116(13) 0.0415(8) Uani 1 1 d . . .
C3 C 0.78431(18) 0.33371(15) 0.77360(14) 0.0418(8) Uani 1 1 d . . .
C4 C 0.75284(19) 0.35518(15) 0.81318(14) 0.0435(8) Uani 1 1 d . . .
C5 C 0.71819(18) 0.31807(15) 0.83954(15) 0.0446(8) Uani 1 1 d . . .
C6 C 0.70632(18) 0.26752(16) 0.81944(14) 0.0437(8) Uani 1 1 d . . .
C7 C 0.70323(18) 0.22324(16) 0.85264(15) 0.0457(9) Uani 1 1 d . . .
C8 C 0.7293(2) 0.17708(16) 0.83379(15) 0.0472(9) Uani 1 1 d . . .
C9 C 0.74947(19) 0.19088(15) 0.78777(14) 0.0437(8) Uani 1 1 d . . .
C10 C 0.80726(19) 0.16860(14) 0.78126(14) 0.0427(8) Uani 1 1 d . . .
C11 C 0.85402(19) 0.19765(14) 0.75459(13) 0.0409(8) Uani 1 1 d . . .
C12 C 0.84182(19) 0.25732(15) 0.75326(13) 0.0415(8) Uani 1 1 d . . .
C13 C 0.89876(19) 0.28979(14) 0.75841(13) 0.0404(8) Uani 1 1 d . . .
C14 C 0.89603(19) 0.34552(14) 0.76518(13) 0.0417(8) Uani 1 1 d . . .
C15 C 0.83815(19) 0.36673(14) 0.77262(14) 0.0413(8) Uani 1 1 d . . .
C16 C 0.83756(19) 0.41649(15) 0.80588(15) 0.0446(8) Uani 1 1 d . . .
C17 C 0.78531(19) 0.40029(15) 0.83483(15) 0.0451(8) Uani 1 1 d . . .
C18 C 0.78908(19) 0.41670(16) 0.89128(15) 0.0459(9) Uani 1 1 d . . .
C19 C 0.77084(19) 0.36967(16) 0.92111(15) 0.0458(8) Uani 1 1 d . . .
C20 C 0.72965(18) 0.32682(16) 0.89669(15) 0.0450(8) Uani 1 1 d . . .
C21 C 0.72831(19) 0.28244(17) 0.92910(15) 0.0471(9) Uani 1 1 d . . .
C22 C 0.71294(19) 0.23017(16) 0.90681(16) 0.0477(9) Uani 1 1 d . . .
C23 C 0.7501(2) 0.19161(17) 0.94457(16) 0.0482(9) Uani 1 1 d . . .
C24 C 0.7772(2) 0.14715(16) 0.92689(15) 0.0473(9) Uani 1 1 d . . .
C25 C 0.7668(2) 0.13953(15) 0.87055(15) 0.0458(8) Uani 1 1 d . . .
C26 C 0.82498(19) 0.11545(15) 0.86273(14) 0.0439(8) Uani 1 1 d . . .
C27 C 0.8469(2) 0.13310(14) 0.82077(14) 0.0436(8) Uani 1 1 d . . .
C28 C 0.91702(19) 0.14332(14) 0.82560(14) 0.0423(8) Uani 1 1 d . . .
C29 C 0.92394(19) 0.18366(14) 0.79360(14) 0.0410(8) Uani 1 1 d . . .
C30 C 0.97956(19) 0.22111(14) 0.80707(14) 0.0407(8) Uani 1 1 d . . .
C31 C 0.96728(19) 0.27142(15) 0.78490(14) 0.0416(8) Uani 1 1 d . . .
C32 C 1.00522(19) 0.31679(14) 0.81019(14) 0.0413(8) Uani 1 1 d . . .
C33 C 0.96691(19) 0.36869(15) 0.78931(14) 0.0435(8) Uani 1 1 d . . .
C34 C 0.9657(2) 0.40356(14) 0.83663(15) 0.0440(8) Uani 1 1 d . . .
C35 C 0.90792(19) 0.42151(14) 0.84483(15) 0.0436(8) Uani 1 1 d . . .
C36 C 0.9163(2) 0.43070(15) 0.90142(15) 0.0471(9) Uani 1 1 d . . .
C37 C 0.8641(2) 0.42502(15) 0.92386(15) 0.0469(9) Uani 1 1 d . . .
C38 C 0.8775(2) 0.39711(16) 0.97202(15) 0.0470(9) Uani 1 1 d . . .
C39 C 0.81988(19) 0.36286(16) 0.97058(15) 0.0461(9) Uani 1 1 d . . .
C40 C 0.8279(2) 0.31435(16) 0.99871(14) 0.0475(9) Uani 1 1 d . . .
C41 C 0.7772(2) 0.27584(17) 0.98029(15) 0.0482(9) Uani 1 1 d . . .
C42 C 0.7900(2) 0.22028(17) 0.98936(15) 0.0488(9) Uani 1 1 d . . .
C43 C 0.8557(2) 0.20290(17) 1.01462(15) 0.0507(9) Uani 1 1 d . . .
C44 C 0.8813(2) 0.15547(17) 0.99811(15) 0.0496(9) Uani 1 1 d . . .
C45 C 0.8431(2) 0.12782(16) 0.95459(15) 0.0471(9) Uani 1 1 d . . .
C46 C 0.8731(2) 0.09646(16) 0.91671(15) 0.0465(9) Uani 1 1 d . . .
C47 C 0.94456(19) 0.11779(15) 0.92153(14) 0.0436(8) Uani 1 1 d . . .
C48 C 0.97310(19) 0.12671(15) 0.87424(14) 0.0431(8) Uani 1 1 d . . .
C49 C 1.01965(19) 0.17374(15) 0.89289(14) 0.0425(8) Uani 1 1 d . . .
C50 C 1.02848(18) 0.21501(14) 0.85894(14) 0.0401(8) Uani 1 1 d . . .
C51 C 1.05959(18) 0.26110(15) 0.88479(14) 0.0426(8) Uani 1 1 d . . .
C52 C 1.04865(19) 0.31188(15) 0.85970(15) 0.0432(8) Uani 1 1 d . . .
C53 C 1.05608(18) 0.35231(16) 0.90145(15) 0.0447(8) Uani 1 1 d . . .
C54 C 1.0242(2) 0.40634(15) 0.88948(15) 0.0454(8) Uani 1 1 d . . .
C55 C 0.98414(19) 0.41640(15) 0.92979(15) 0.0459(9) Uani 1 1 d . . .
C56 C 0.9978(2) 0.39150(16) 0.97817(14) 0.0463(9) Uani 1 1 d . . .
C57 C 0.9422(2) 0.37999(17) 0.99869(15) 0.0482(9) Uani 1 1 d . . .
C58 C 0.9513(2) 0.32847(16) 1.02323(14) 0.0473(9) Uani 1 1 d . . .
C59 C 0.8965(2) 0.29646(18) 1.02561(14) 0.0494(9) Uani 1 1 d . . .
C60 C 0.9090(2) 0.24144(17) 1.03124(14) 0.0484(9) Uani 1 1 d . . .
C61 C 0.9692(2) 0.21951(17) 1.02518(14) 0.0479(9) Uani 1 1 d . . .
C62 C 0.9588(2) 0.16028(16) 1.01185(14) 0.0477(9) Uani 1 1 d . . .
C63 C 0.9791(2) 0.14823(15) 0.96219(14) 0.0452(8) Uani 1 1 d . . .
C64 C 1.02722(19) 0.18333(15) 0.94675(14) 0.0429(8) Uani 1 1 d . . .
C65 C 1.04944(19) 0.23200(16) 0.97136(14) 0.0443(8) Uani 1 1 d . . .
C66 C 1.07083(18) 0.26971(15) 0.94063(15) 0.0437(8) Uani 1 1 d . . .
C67 C 1.06786(18) 0.32651(16) 0.94857(15) 0.0457(9) Uani 1 1 d . . .
C68 C 1.0517(2) 0.34849(16) 0.99717(15) 0.0475(9) Uani 1 1 d . . .
C69 C 1.01221(19) 0.30610(17) 1.01813(14) 0.0469(9) Uani 1 1 d . . .
C70 C 1.01796(19) 0.25164(16) 1.01225(14) 0.0459(9) Uani 1 1 d . . .
C71 C 0.6635(2) 0.25106(16) 0.71859(15) 0.0476(9) Uani 1 1 d . . .
C72 C 0.6050(2) 0.21391(19) 0.71400(16) 0.0573(11) Uani 1 1 d . . .
C73 C 0.8503(2) 0.17780(16) 0.69771(14) 0.0468(9) Uani 1 1 d . . .
C74 C 0.8606(2) 0.11886(17) 0.68912(16) 0.0562(10) Uani 1 1 d . . .
C75 C 0.8228(2) 0.46743(16) 0.77221(16) 0.0506(9) Uani 1 1 d . . .
C76 C 0.7511(2) 0.47482(17) 0.73360(18) 0.0575(11) Uani 1 1 d . . .
C77 C 0.7423(2) 0.46493(16) 0.89176(16) 0.0492(9) Uani 1 1 d . . .
C78 C 0.7361(2) 0.48400(16) 0.94625(17) 0.0528(10) Uani 1 1 d . . .
C79 C 0.9992(2) 0.39627(15) 0.74875(16) 0.0468(9) Uani 1 1 d . . .
C80 C 0.9706(2) 0.38150(17) 0.69060(17) 0.0529(10) Uani 1 1 d . . .
C81 C 0.8704(2) 0.03579(17) 0.92317(16) 0.0523(9) Uani 1 1 d . . .
C82 C 0.8103(3) 0.01270(19) 0.9395(2) 0.0651(12) Uani 1 1 d . . .
C83 C 1.0120(2) 0.07960(16) 0.85852(15) 0.0486(9) Uani 1 1 d . . .
C84 C 1.0730(2) 0.05645(18) 0.90094(17) 0.0576(11) Uani 1 1 d . . .
C85 C 1.0771(2) 0.44935(16) 0.88955(16) 0.0516(9) Uani 1 1 d . . .
C86 C 1.0550(2) 0.50762(18) 0.8878(2) 0.0622(11) Uani 1 1 d . . .
C87 C 0.9947(2) 0.12535(18) 1.06050(15) 0.0541(10) Uani 1 1 d . . .
C88 C 1.0716(2) 0.13047(19) 1.08106(17) 0.0585(11) Uani 1 1 d . . .
C89 C 1.1187(2) 0.36191(17) 1.04140(16) 0.0532(10) Uani 1 1 d . . .
C90 C 1.1107(2) 0.39606(17) 1.08663(16) 0.0558(10) Uani 1 1 d . . .
C91 C 1.2641(2) -0.2992(2) 0.69823(18) 0.0660(12) Uani 1 1 d . . .
C92 C 1.1966(2) -0.3273(2) 0.67662(17) 0.0613(11) Uani 1 1 d . . .
C93 C 1.1836(2) -0.35151(19) 0.62663(17) 0.0577(11) Uani 1 1 d . . .
C94 C 1.2159(2) -0.33366(18) 0.58643(16) 0.0542(10) Uani 1 1 d . . .
C95 C 1.2634(2) -0.28872(19) 0.59926(17) 0.0562(10) Uani 1 1 d . . .
C96 C 1.2854(2) -0.2728(2) 0.65158(17) 0.0612(12) Uani 1 1 d . . .
C97 C 1.3032(2) -0.2186(2) 0.66526(17) 0.0616(12) Uani 1 1 d . . .
C98 C 1.2847(2) -0.2050(2) 0.71270(17) 0.0654(13) Uani 1 1 d . . .
C99 C 1.2558(2) -0.2501(2) 0.73003(17) 0.0678(13) Uani 1 1 d . . .
C100 C 1.2014(2) -0.2424(2) 0.74979(16) 0.0685(13) Uani 1 1 d . . .
C101 C 1.1444(2) -0.2817(2) 0.74296(16) 0.0655(13) Uani 1 1 d . . .
C102 C 1.1413(2) -0.3205(2) 0.69741(17) 0.0614(11) Uani 1 1 d . . .
C103 C 1.0771(2) -0.33770(19) 0.66761(17) 0.0583(11) Uani 1 1 d . . .
C104 C 1.0674(2) -0.36745(18) 0.61998(17) 0.0563(10) Uani 1 1 d . . .
C105 C 1.1222(2) -0.37405(17) 0.60057(17) 0.0553(10) Uani 1 1 d . . .
C106 C 1.1141(2) -0.37945(17) 0.54071(17) 0.0537(10) Uani 1 1 d . . .
C107 C 1.1756(2) -0.34541(17) 0.53721(16) 0.0523(10) Uani 1 1 d . . .
C108 C 1.1758(2) -0.31222(17) 0.48899(16) 0.0517(9) Uani 1 1 d . . .
C109 C 1.2101(2) -0.25886(17) 0.50742(16) 0.0508(9) Uani 1 1 d . . .
C110 C 1.2581(2) -0.25044(19) 0.55781(16) 0.0541(10) Uani 1 1 d . . .
C111 C 1.2744(2) -0.1968(2) 0.57156(17) 0.0572(11) Uani 1 1 d . . .
C112 C 1.2992(2) -0.1815(2) 0.62666(18) 0.0615(12) Uani 1 1 d . . .
C113 C 1.2768(2) -0.1281(2) 0.63205(18) 0.0628(12) Uani 1 1 d . . .
C114 C 1.2577(2) -0.1139(2) 0.67700(19) 0.0662(13) Uani 1 1 d . . .
C115 C 1.2626(2) -0.1533(2) 0.71830(17) 0.0663(13) Uani 1 1 d . . .
C116 C 1.2081(2) -0.1454(2) 0.74063(17) 0.0691(14) Uani 1 1 d . . .
C117 C 1.1759(2) -0.1894(2) 0.75245(16) 0.0625(12) Uani 1 1 d . . .
C118 C 1.1029(2) -0.1935(2) 0.73944(16) 0.0615(12) Uani 1 1 d . . .
C119 C 1.0822(2) -0.2445(2) 0.72799(15) 0.0585(11) Uani 1 1 d . . .
C120 C 1.0190(2) -0.25804(19) 0.68953(16) 0.0557(10) Uani 1 1 d . . .
C121 C 1.0158(2) -0.30657(19) 0.66386(17) 0.0567(10) Uani 1 1 d . . .
C122 C 0.9707(2) -0.31646(18) 0.61203(17) 0.0535(10) Uani 1 1 d . . .
C123 C 0.9933(2) -0.36441(18) 0.58582(17) 0.0555(10) Uani 1 1 d . . .
C124 C 0.9931(2) -0.34977(16) 0.52897(16) 0.0517(9) Uani 1 1 d . . .
C125 C 1.0482(2) -0.35409(16) 0.51171(16) 0.0518(9) Uani 1 1 d . . .
C126 C 1.0457(2) -0.31569(16) 0.46881(15) 0.0504(9) Uani 1 1 d . . .
C127 C 1.1029(2) -0.29382(17) 0.46037(15) 0.0497(9) Uani 1 1 d . . .
C128 C 1.1030(2) -0.23851(17) 0.45182(14) 0.0479(9) Uani 1 1 d . . .
C129 C 1.1693(2) -0.21765(17) 0.48093(15) 0.0506(9) Uani 1 1 d . . .
C130 C 1.1763(2) -0.16413(17) 0.50044(16) 0.0516(9) Uani 1 1 d . . .
C131 C 1.2344(2) -0.15404(19) 0.54337(17) 0.0585(11) Uani 1 1 d . . .
C132 C 1.2355(2) -0.11120(19) 0.58068(18) 0.0599(11) Uani 1 1 d . . .
C133 C 1.1783(2) -0.08247(18) 0.57699(17) 0.0568(10) Uani 1 1 d . . .
C134 C 1.1606(2) -0.06584(19) 0.62443(18) 0.0587(11) Uani 1 1 d . . .
C135 C 1.1996(2) -0.0812(2) 0.67287(18) 0.0641(12) Uani 1 1 d . . .
C136 C 1.1721(2) -0.0921(2) 0.72079(18) 0.0665(12) Uani 1 1 d . . .
C137 C 1.0965(2) -0.1029(2) 0.69969(16) 0.0594(11) Uani 1 1 d . . .
C138 C 1.0584(2) -0.1463(2) 0.72138(16) 0.0584(11) Uani 1 1 d . . .
C139 C 1.0020(2) -0.16239(18) 0.67229(15) 0.0527(10) Uani 1 1 d . . .
C140 C 0.9786(2) -0.21453(18) 0.66082(16) 0.0517(10) Uani 1 1 d . . .
C141 C 0.9396(2) -0.22367(17) 0.60765(16) 0.0505(9) Uani 1 1 d . . .
C142 C 0.9351(2) -0.27555(17) 0.58407(16) 0.0517(10) Uani 1 1 d . . .
C143 C 0.9234(2) -0.26821(16) 0.52681(16) 0.0488(9) Uani 1 1 d . . .
C144 C 0.9412(2) -0.31095(17) 0.49266(16) 0.0518(9) Uani 1 1 d . . .
C145 C 0.9846(2) -0.28560(16) 0.46087(15) 0.0490(9) Uani 1 1 d . . .
C146 C 0.9839(2) -0.23267(17) 0.45008(15) 0.0498(9) Uani 1 1 d . . .
C147 C 1.0460(2) -0.20822(16) 0.44717(15) 0.0488(9) Uani 1 1 d . . .
C148 C 1.0518(2) -0.15662(16) 0.47188(15) 0.0489(9) Uani 1 1 d . . .
C149 C 1.1158(2) -0.13328(17) 0.49667(15) 0.0506(9) Uani 1 1 d . . .
C150 C 1.1167(2) -0.09448(17) 0.53514(17) 0.0541(10) Uani 1 1 d . . .
C151 C 1.0603(2) -0.08616(17) 0.55540(15) 0.0515(9) Uani 1 1 d . . .
C152 C 1.0836(2) -0.05904(18) 0.60989(16) 0.0547(10) Uani 1 1 d . . .
C153 C 1.0592(2) -0.09135(18) 0.64936(16) 0.0540(10) Uani 1 1 d . . .
C154 C 1.0005(2) -0.12643(17) 0.63133(16) 0.0512(9) Uani 1 1 d . . .
C155 C 0.9689(2) -0.13810(17) 0.57711(15) 0.0488(9) Uani 1 1 d . . .
C156 C 0.9345(2) -0.18608(16) 0.56666(15) 0.0479(9) Uani 1 1 d . . .
C157 C 0.9235(2) -0.21526(17) 0.51674(15) 0.0486(9) Uani 1 1 d . . .
C158 C 0.9426(2) -0.19165(16) 0.47024(15) 0.0489(9) Uani 1 1 d . . .
C159 C 0.9958(2) -0.14780(16) 0.49117(15) 0.0488(9) Uani 1 1 d . . .
C160 C 1.0018(2) -0.11801(16) 0.53760(15) 0.0484(9) Uani 1 1 d . . .
C161 C 1.3179(3) -0.3403(3) 0.72910(19) 0.0821(17) Uani 1 1 d . . .
C162 C 1.3854(3) -0.3183(3) 0.7626(2) 0.096(2) Uani 1 1 d . . .
C163 C 1.1471(3) -0.3137(3) 0.7940(2) 0.092(2) Uani 1 1 d . . .
C164 C 1.1482(3) -0.2815(4) 0.8418(2) 0.090(3) Uani 0.862(5) 1 d P . .
C165 C 1.1123(18) -0.3444(14) 0.8161(14) 0.060(8) Uani 0.138(5) 1 d PU . .
C166 C 1.1153(2) -0.43801(18) 0.52309(19) 0.0598(11) Uani 1 1 d . . .
C167 C 1.1820(3) -0.4683(2) 0.5417(2) 0.0680(12) Uani 1 1 d . . .
C168 C 1.2129(2) -0.34199(17) 0.45367(17) 0.0543(10) Uani 1 1 d . . .
C169 C 1.2260(2) -0.31295(18) 0.40684(17) 0.0571(10) Uani 1 1 d . . .
C170 C 0.9494(2) -0.41434(19) 0.5890(2) 0.0637(12) Uani 1 1 d . . .
C171 C 0.9729(3) -0.4489(2) 0.6394(3) 0.0810(15) Uani 1 1 d . . .
C172 C 1.1910(3) -0.0469(3) 0.7638(2) 0.0801(16) Uani 1 1 d . . .
C173 C 1.2584(4) -0.0177(3) 0.7701(3) 0.095(2) Uani 1 1 d . . .
C174 C 1.0290(2) -0.1290(2) 0.76713(16) 0.0618(11) Uani 1 1 d . . .
C175 C 0.9802(3) -0.0825(2) 0.75808(19) 0.0754(15) Uani 1 1 d . . .
C176 C 0.8752(2) -0.33813(18) 0.45805(18) 0.0555(10) Uani 1 1 d . . .
C177 C 0.8820(3) -0.3739(2) 0.41197(19) 0.0640(12) Uani 1 1 d . . .
C178 C 1.0626(3) -0.00094(19) 0.60777(18) 0.0628(11) Uani 1 1 d . . .
C179 C 0.9873(3) 0.01117(18) 0.59788(19) 0.0634(11) Uani 1 1 d . . .
C180 C 0.8830(2) -0.17000(17) 0.42413(16) 0.0545(10) Uani 1 1 d . . .
C181 C 0.8334(2) -0.1332(2) 0.44038(17) 0.0604(11) Uani 1 1 d . . .
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
C165 F57 F59A 90(3) . . ?
C165 F57 F58A 82(2) . . ?
F59A F57 F58A 140.6(12) . . ?
C165 F57 C163 61(2) . . ?
F59A F57 C163 114.8(12) . . ?
F58A F57 C163 94.7(8) . . ?
F57 F58A C165 37.7(13) . . ?
F60A F59 C164 104.8(9) . . ?
F60A F59 C165 38.5(14) . . ?
C164 F59 C165 66.8(11) . . ?
F57 F59A C165 40.9(17) . . ?
C165 F60A F59 99(2) . . ?
C2 C1 C9 110.0(3) . . ?
C2 C1 C6 110.1(3) . . ?
C9 C1 C6 100.9(3) . . ?
C2 C1 C71 108.3(3) . . ?
C9 C1 C71 115.8(3) . . ?
C6 C1 C71 111.5(3) . . ?
C3 C2 C12 118.2(3) . . ?
C3 C2 C1 116.8(3) . . ?
C12 C2 C1 123.4(3) . . ?
C15 C3 C2 122.4(3) . . ?
C15 C3 C4 107.9(3) . . ?
C2 C3 C4 122.8(3) . . ?
C17 C4 C5 125.8(3) . . ?
C17 C4 C3 109.8(3) . . ?
C5 C4 C3 118.1(3) . . ?
C6 C5 C4 117.9(3) . . ?
C6 C5 C20 119.4(4) . . ?
C4 C5 C20 115.5(3) . . ?
C5 C6 C7 121.6(3) . . ?
C5 C6 C1 124.8(3) . . ?
C7 C6 C1 108.6(3) . . ?
C22 C7 C8 120.0(4) . . ?
C22 C7 C6 120.5(4) . . ?
C8 C7 C6 109.7(3) . . ?
C25 C8 C7 119.7(3) . . ?
C25 C8 C9 120.4(4) . . ?
C7 C8 C9 108.9(3) . . ?
C10 C9 C8 118.7(3) . . ?
C10 C9 C1 124.1(3) . . ?
C8 C9 C1 109.6(3) . . ?
C9 C10 C27 119.9(3) . . ?
C9 C10 C11 123.0(3) . . ?
C27 C10 C11 109.1(3) . . ?
C12 C11 C10 111.2(3) . . ?
C12 C11 C29 110.8(3) . . ?
C10 C11 C29 100.1(3) . . ?
C12 C11 C73 109.5(3) . . ?
C10 C11 C73 115.0(3) . . ?
C29 C11 C73 110.0(3) . . ?
C2 C12 C13 118.7(3) . . ?
C2 C12 C11 122.7(3) . . ?
C13 C12 C11 116.5(3) . . ?
C12 C13 C14 121.8(3) . . ?
C12 C13 C31 121.8(3) . . ?
C14 C13 C31 108.8(3) . . ?
C15 C14 C13 118.1(3) . . ?
C15 C14 C33 123.9(3) . . ?
C13 C14 C33 111.2(3) . . ?
C14 C15 C3 119.9(3) . . ?
C14 C15 C16 123.5(3) . . ?
C3 C15 C16 110.0(3) . . ?
C35 C16 C15 106.8(3) . . ?
C35 C16 C75 108.0(3) . . ?
C15 C16 C75 112.9(3) . . ?
C35 C16 C17 110.9(3) . . ?
C15 C16 C17 100.7(3) . . ?
C75 C16 C17 117.0(3) . . ?
C4 C17 C18 121.1(4) . . ?
C4 C17 C16 110.2(3) . . ?
C18 C17 C16 124.2(3) . . ?
C17 C18 C19 109.8(3) . . ?
C17 C18 C37 109.8(3) . . ?
C19 C18 C37 100.1(3) . . ?
C17 C18 C77 111.3(3) . . ?
C19 C18 C77 111.0(3) . . ?
C37 C18 C77 114.3(3) . . ?
C39 C19 C20 120.3(4) . . ?
C39 C19 C18 110.6(3) . . ?
C20 C19 C18 124.5(3) . . ?
C19 C20 C21 116.6(3) . . ?
C19 C20 C5 118.6(4) . . ?
C21 C20 C5 118.2(3) . . ?
C20 C21 C41 121.7(4) . . ?
C20 C21 C22 121.4(3) . . ?
C41 C21 C22 106.7(4) . . ?
C7 C22 C21 118.8(4) . . ?
C7 C22 C23 120.7(4) . . ?
C21 C22 C23 109.1(3) . . ?
C24 C23 C42 119.6(4) . . ?
C24 C23 C22 119.9(4) . . ?
C42 C23 C22 107.0(4) . . ?
C23 C24 C45 121.3(4) . . ?
C23 C24 C25 119.6(4) . . ?
C45 C24 C25 108.3(3) . . ?
C26 C25 C8 120.6(3) . . ?
C26 C25 C24 109.0(3) . . ?
C8 C25 C24 120.1(4) . . ?
C27 C26 C25 117.7(4) . . ?
C27 C26 C46 124.0(3) . . ?
C25 C26 C46 110.2(3) . . ?
C26 C27 C10 122.1(4) . . ?
C26 C27 C28 122.6(3) . . ?
C10 C27 C28 107.5(3) . . ?
C29 C28 C27 111.3(3) . . ?
C29 C28 C48 122.8(3) . . ?
C27 C28 C48 121.9(3) . . ?
C28 C29 C30 123.8(3) . . ?
C28 C29 C11 109.8(3) . . ?
C30 C29 C11 122.2(3) . . ?
C31 C30 C29 117.2(3) . . ?
C31 C30 C50 119.0(3) . . ?
C29 C30 C50 116.6(3) . . ?
C30 C31 C32 121.6(3) . . ?
C30 C31 C13 121.7(3) . . ?
C32 C31 C13 106.9(3) . . ?
C52 C32 C31 119.5(3) . . ?
C52 C32 C33 123.1(3) . . ?
C31 C32 C33 110.9(3) . . ?
C34 C33 C14 108.6(3) . . ?
C34 C33 C32 109.0(3) . . ?
C14 C33 C32 98.8(3) . . ?
C34 C33 C79 114.0(3) . . ?
C14 C33 C79 115.3(3) . . ?
C32 C33 C79 110.0(3) . . ?
C35 C34 C33 123.1(3) . . ?
C35 C34 C54 109.6(3) . . ?
C33 C34 C54 124.1(3) . . ?
C34 C35 C36 111.4(3) . . ?
C34 C35 C16 125.4(3) . . ?
C36 C35 C16 120.5(3) . . ?
C37 C36 C55 121.2(4) . . ?
C37 C36 C35 122.7(4) . . ?
C55 C36 C35 107.5(3) . . ?
C36 C37 C38 117.7(4) . . ?
C36 C37 C18 123.8(3) . . ?
C38 C37 C18 109.6(3) . . ?
C57 C38 C37 121.5(4) . . ?
C57 C38 C39 119.1(4) . . ?
C37 C38 C39 109.1(3) . . ?
C19 C39 C40 122.2(4) . . ?
C19 C39 C38 108.3(3) . . ?
C40 C39 C38 121.7(4) . . ?
C41 C40 C39 117.0(4) . . ?
C41 C40 C59 118.3(4) . . ?
C39 C40 C59 118.2(4) . . ?
C40 C41 C42 122.4(4) . . ?
C40 C41 C21 119.5(4) . . ?
C42 C41 C21 108.3(3) . . ?
C43 C42 C23 118.9(4) . . ?
C43 C42 C41 119.5(4) . . ?
C23 C42 C41 108.9(3) . . ?
C42 C43 C44 120.8(4) . . ?
C42 C43 C60 118.9(4) . . ?
C44 C43 C60 110.1(4) . . ?
C45 C44 C43 120.4(4) . . ?
C45 C44 C62 122.8(4) . . ?
C43 C44 C62 108.2(3) . . ?
C44 C45 C24 118.8(4) . . ?
C44 C45 C46 124.1(4) . . ?
C24 C45 C46 110.3(3) . . ?
C45 C46 C47 108.7(3) . . ?
C45 C46 C81 114.0(3) . . ?
C47 C46 C81 113.7(3) . . ?
C45 C46 C26 99.4(3) . . ?
C47 C46 C26 108.2(3) . . ?
C81 C46 C26 111.9(3) . . ?
C63 C47 C48 108.7(3) . . ?
C63 C47 C46 122.8(3) . . ?
C48 C47 C46 124.4(3) . . ?
C28 C48 C49 108.3(3) . . ?
C28 C48 C47 110.3(3) . . ?
C49 C48 C47 102.0(3) . . ?
C28 C48 C83 108.3(3) . . ?
C49 C48 C83 111.0(3) . . ?
C47 C48 C83 116.7(3) . . ?
C64 C49 C50 120.9(3) . . ?
C64 C49 C48 109.8(3) . . ?
C50 C49 C48 123.8(3) . . ?
C51 C50 C49 115.3(3) . . ?
C51 C50 C30 117.6(3) . . ?
C49 C50 C30 119.3(3) . . ?
C50 C51 C52 122.0(3) . . ?
C50 C51 C66 122.5(3) . . ?
C52 C51 C66 107.1(3) . . ?
C32 C52 C51 119.8(3) . . ?
C32 C52 C53 123.3(3) . . ?
C51 C52 C53 107.9(3) . . ?
C67 C53 C52 107.5(3) . . ?
C67 C53 C54 125.2(3) . . ?
C52 C53 C54 121.7(3) . . ?
C53 C54 C85 111.8(3) . . ?
C53 C54 C55 107.0(3) . . ?
C85 C54 C55 113.8(3) . . ?
C53 C54 C34 108.9(3) . . ?
C85 C54 C34 113.6(3) . . ?
C55 C54 C34 100.9(3) . . ?
C56 C55 C36 120.6(4) . . ?
C56 C55 C54 123.6(4) . . ?
C36 C55 C54 108.7(3) . . ?
C55 C56 C57 118.0(4) . . ?
C55 C56 C68 124.3(3) . . ?
C57 C56 C68 108.6(3) . . ?
C38 C57 C56 120.4(4) . . ?
C38 C57 C58 119.4(4) . . ?
C56 C57 C58 109.7(3) . . ?
C59 C58 C69 121.4(4) . . ?
C59 C58 C57 122.4(4) . . ?
C69 C58 C57 108.8(3) . . ?
C58 C59 C60 116.4(4) . . ?
C58 C59 C40 118.7(4) . . ?
C60 C59 C40 118.5(4) . . ?
C61 C60 C59 120.9(4) . . ?
C61 C60 C43 108.7(4) . . ?
C59 C60 C43 122.2(4) . . ?
C70 C61 C60 121.0(4) . . ?
C70 C61 C62 124.6(3) . . ?
C60 C61 C62 109.7(3) . . ?
C63 C62 C61 109.7(3) . . ?
C63 C62 C44 108.0(3) . . ?
C61 C62 C44 101.4(3) . . ?
C63 C62 C87 114.3(3) . . ?
C61 C62 C87 111.2(3) . . ?
C44 C62 C87 111.4(3) . . ?
C47 C63 C64 111.7(3) . . ?
C47 C63 C62 126.0(4) . . ?
C64 C63 C62 119.6(3) . . ?
C49 C64 C65 123.0(3) . . ?
C49 C64 C63 106.7(3) . . ?
C65 C64 C63 123.8(3) . . ?
C66 C65 C64 116.4(3) . . ?
C66 C65 C70 117.7(4) . . ?
C64 C65 C70 118.1(3) . . ?
C65 C66 C51 120.2(3) . . ?
C65 C66 C67 123.7(3) . . ?
C51 C66 C67 107.2(3) . . ?
C53 C67 C66 110.2(3) . . ?
C53 C67 C68 124.7(4) . . ?
C66 C67 C68 120.7(3) . . ?
C67 C68 C56 107.4(3) . . ?
C67 C68 C69 108.4(3) . . ?
C56 C68 C69 101.5(3) . . ?
C67 C68 C89 110.2(3) . . ?
C56 C68 C89 119.4(3) . . ?
C69 C68 C89 109.2(3) . . ?
C70 C69 C58 120.7(4) . . ?
C70 C69 C68 125.1(3) . . ?
C58 C69 C68 109.4(4) . . ?
C69 C70 C61 116.9(4) . . ?
C69 C70 C65 118.5(3) . . ?
C61 C70 C65 118.2(4) . . ?
F2 C71 F1 107.1(3) . . ?
F2 C71 C72 108.8(3) . . ?
F1 C71 C72 105.7(3) . . ?
F2 C71 C1 107.8(3) . . ?
F1 C71 C1 109.5(3) . . ?
C72 C71 C1 117.5(3) . . ?
F3 C72 F5 107.9(4) . . ?
F3 C72 F4 108.2(3) . . ?
F5 C72 F4 107.4(4) . . ?
F3 C72 C71 112.1(4) . . ?
F5 C72 C71 110.7(3) . . ?
F4 C72 C71 110.4(4) . . ?
F6 C73 F7 107.0(3) . . ?
F6 C73 C74 106.4(3) . . ?
F7 C73 C74 106.0(3) . . ?
F6 C73 C11 109.1(3) . . ?
F7 C73 C11 108.7(3) . . ?
C74 C73 C11 119.0(3) . . ?
F9 C74 F8 108.1(4) . . ?
F9 C74 F10 109.0(4) . . ?
F8 C74 F10 107.8(3) . . ?
F9 C74 C73 111.8(4) . . ?
F8 C74 C73 109.7(3) . . ?
F10 C74 C73 110.5(4) . . ?
F12 C75 F11 106.6(3) . . ?
F12 C75 C16 108.7(3) . . ?
F11 C75 C16 110.3(3) . . ?
F12 C75 C76 105.6(3) . . ?
F11 C75 C76 106.9(3) . . ?
C16 C75 C76 118.1(3) . . ?
F13 C76 F15 109.6(4) . . ?
F13 C76 F14 108.5(4) . . ?
F15 C76 F14 108.1(3) . . ?
F13 C76 C75 110.2(3) . . ?
F15 C76 C75 109.1(4) . . ?
F14 C76 C75 111.4(4) . . ?
F16 C77 F17 107.7(3) . . ?
F16 C77 C78 106.3(3) . . ?
F17 C77 C78 106.2(3) . . ?
F16 C77 C18 110.1(3) . . ?
F17 C77 C18 108.2(3) . . ?
C78 C77 C18 117.8(3) . . ?
F20 C78 F19 109.8(4) . . ?
F20 C78 F18 107.8(4) . . ?
F19 C78 F18 108.4(3) . . ?
F20 C78 C77 111.5(3) . . ?
F19 C78 C77 110.0(3) . . ?
F18 C78 C77 109.3(3) . . ?
F21 C79 F22 106.5(3) . . ?
F21 C79 C80 107.4(3) . . ?
F22 C79 C80 105.4(3) . . ?
F21 C79 C33 110.8(3) . . ?
F22 C79 C33 109.0(3) . . ?
C80 C79 C33 117.1(3) . . ?
F23 C80 F25 108.9(3) . . ?
F23 C80 F24 108.1(3) . . ?
F25 C80 F24 107.7(3) . . ?
F23 C80 C79 110.8(3) . . ?
F25 C80 C79 111.3(3) . . ?
F24 C80 C79 109.9(3) . . ?
F26 C81 F27 106.5(3) . . ?
F26 C81 C82 106.0(3) . . ?
F27 C81 C82 105.8(4) . . ?
F26 C81 C46 110.5(3) . . ?
F27 C81 C46 109.9(3) . . ?
C82 C81 C46 117.6(4) . . ?
F28 C82 F29 108.6(4) . . ?
F28 C82 F30 108.5(4) . . ?
F29 C82 F30 107.7(4) . . ?
F28 C82 C81 111.1(4) . . ?
F29 C82 C81 111.0(4) . . ?
F30 C82 C81 109.8(4) . . ?
F32 C83 F31 107.0(3) . . ?
F32 C83 C84 107.3(3) . . ?
F31 C83 C84 106.2(3) . . ?
F32 C83 C48 109.6(3) . . ?
F31 C83 C48 107.9(3) . . ?
C84 C83 C48 118.4(3) . . ?
F33 C84 F35 109.0(4) . . ?
F33 C84 F34 108.3(4) . . ?
F35 C84 F34 108.3(4) . . ?
F33 C84 C83 110.0(4) . . ?
F35 C84 C83 110.7(4) . . ?
F34 C84 C83 110.4(3) . . ?
F37 C85 F36 107.0(3) . . ?
F37 C85 C86 107.1(4) . . ?
F36 C85 C86 105.4(3) . . ?
F37 C85 C54 109.6(3) . . ?
F36 C85 C54 109.0(3) . . ?
C86 C85 C54 118.1(4) . . ?
F38 C86 F40 108.7(4) . . ?
F38 C86 F39 108.3(4) . . ?
F40 C86 F39 107.3(4) . . ?
F38 C86 C85 111.9(4) . . ?
F40 C86 C85 110.5(4) . . ?
F39 C86 C85 110.0(4) . . ?
F42 C87 F41 107.9(3) . . ?
F42 C87 C88 107.9(4) . . ?
F41 C87 C88 106.4(3) . . ?
F42 C87 C62 109.6(3) . . ?
F41 C87 C62 108.3(3) . . ?
C88 C87 C62 116.3(3) . . ?
F44 C88 F45 108.1(4) . . ?
F44 C88 F43 107.5(4) . . ?
F45 C88 F43 108.7(4) . . ?
F44 C88 C87 111.7(4) . . ?
F45 C88 C87 110.1(4) . . ?
F43 C88 C87 110.7(4) . . ?
F47 C89 F46 107.1(3) . . ?
F47 C89 C90 106.9(3) . . ?
F46 C89 C90 107.6(3) . . ?
F47 C89 C68 110.3(3) . . ?
F46 C89 C68 108.8(3) . . ?
C90 C89 C68 115.8(4) . . ?
F50 C90 F49 108.8(4) . . ?
F50 C90 F48 107.7(3) . . ?
F49 C90 F48 107.9(3) . . ?
F50 C90 C89 113.0(4) . . ?
F49 C90 C89 110.3(3) . . ?
F48 C90 C89 109.0(4) . . ?
C92 C91 C99 110.3(4) . . ?
C92 C91 C161 108.7(5) . . ?
C99 C91 C161 115.3(4) . . ?
C92 C91 C96 109.8(4) . . ?
C99 C91 C96 100.6(4) . . ?
C161 C91 C96 111.9(4) . . ?
C93 C92 C102 117.4(4) . . ?
C93 C92 C91 117.4(4) . . ?
C102 C92 C91 123.6(4) . . ?
C105 C93 C92 123.0(4) . . ?
C105 C93 C94 108.1(4) . . ?
C92 C93 C94 122.4(4) . . ?
C107 C94 C93 109.8(4) . . ?
C107 C94 C95 124.9(4) . . ?
C93 C94 C95 118.7(4) . . ?
C96 C95 C110 119.5(4) . . ?
C96 C95 C94 117.3(4) . . ?
C110 C95 C94 116.3(4) . . ?
C95 C96 C97 121.0(5) . . ?
C95 C96 C91 124.9(5) . . ?
C97 C96 C91 108.6(4) . . ?
C112 C97 C96 120.7(4) . . ?
C112 C97 C98 120.2(5) . . ?
C96 C97 C98 109.3(4) . . ?
C115 C98 C99 122.1(4) . . ?
C115 C98 C97 119.0(5) . . ?
C99 C98 C97 109.0(4) . . ?
C100 C99 C98 118.1(5) . . ?
C100 C99 C91 123.5(5) . . ?
C98 C99 C91 110.4(4) . . ?
C99 C100 C117 119.7(5) . . ?
C99 C100 C101 123.5(5) . . ?
C117 C100 C101 109.4(4) . . ?
C100 C101 C102 111.6(4) . . ?
C100 C101 C119 101.1(4) . . ?
C102 C101 C119 110.1(4) . . ?
C100 C101 C163 114.0(5) . . ?
C102 C101 C163 109.0(5) . . ?
C119 C101 C163 110.8(4) . . ?
C103 C102 C92 119.0(4) . . ?
C103 C102 C101 117.1(4) . . ?
C92 C102 C101 121.7(5) . . ?
C102 C103 C104 121.8(4) . . ?
C102 C103 C121 121.9(4) . . ?
C104 C103 C121 108.8(4) . . ?
C105 C104 C103 117.8(4) . . ?
C105 C104 C123 125.0(4) . . ?
C103 C104 C123 110.7(4) . . ?
C104 C105 C93 120.0(4) . . ?
C104 C105 C106 122.0(4) . . ?
C93 C105 C106 111.0(4) . . ?
C125 C106 C105 107.3(3) . . ?
C125 C106 C166 110.2(4) . . ?
C105 C106 C166 112.5(3) . . ?
C125 C106 C107 111.7(3) . . ?
C105 C106 C107 99.3(3) . . ?
C166 C106 C107 115.2(3) . . ?
C94 C107 C108 121.8(4) . . ?
C94 C107 C106 110.5(4) . . ?
C108 C107 C106 123.5(4) . . ?
C107 C108 C109 109.4(3) . . ?
C107 C108 C127 109.5(3) . . ?
C109 C108 C127 100.6(3) . . ?
C107 C108 C168 110.6(3) . . ?
C109 C108 C168 110.6(3) . . ?
C127 C108 C168 115.5(3) . . ?
C129 C109 C110 120.8(4) . . ?
C129 C109 C108 110.0(4) . . ?
C110 C109 C108 124.0(4) . . ?
C111 C110 C109 115.5(4) . . ?
C111 C110 C95 119.2(4) . . ?
C109 C110 C95 119.1(4) . . ?
C110 C111 C131 122.0(4) . . ?
C110 C111 C112 120.2(4) . . ?
C131 C111 C112 107.6(4) . . ?
C97 C112 C111 119.3(5) . . ?
C97 C112 C113 121.3(4) . . ?
C111 C112 C113 108.5(4) . . ?
C114 C113 C132 118.9(4) . . ?
C114 C113 C112 120.0(5) . . ?
C132 C113 C112 107.7(4) . . ?
C113 C114 C135 121.2(5) . . ?
C113 C114 C115 118.6(5) . . ?
C135 C114 C115 109.2(4) . . ?
C98 C115 C116 119.6(5) . . ?
C98 C115 C114 120.9(4) . . ?
C116 C115 C114 108.5(5) . . ?
C117 C116 C115 117.9(5) . . ?
C117 C116 C136 124.1(4) . . ?
C115 C116 C136 110.0(5) . . ?
C116 C117 C100 122.1(4) . . ?
C116 C117 C118 122.8(5) . . ?
C100 C117 C118 106.8(5) . . ?
C119 C118 C117 111.1(4) . . ?
C119 C118 C138 123.9(4) . . ?
C117 C118 C138 121.2(5) . . ?
C118 C119 C120 122.8(4) . . ?
C118 C119 C101 109.4(4) . . ?
C120 C119 C101 123.4(4) . . ?
C121 C120 C119 117.2(4) . . ?
C121 C120 C140 118.3(4) . . ?
C119 C120 C140 116.9(4) . . ?
C120 C121 C122 122.8(4) . . ?
C120 C121 C103 121.2(4) . . ?
C122 C121 C103 106.3(4) . . ?
C142 C122 C121 119.0(4) . . ?
C142 C122 C123 123.1(4) . . ?
C121 C122 C123 111.6(4) . . ?
C122 C123 C104 99.0(4) . . ?
C122 C123 C124 109.4(3) . . ?
C104 C123 C124 107.7(3) . . ?
C122 C123 C170 110.9(3) . . ?
C104 C123 C170 114.9(4) . . ?
C124 C123 C170 113.9(4) . . ?
C125 C124 C123 122.9(4) . . ?
C125 C124 C144 110.0(4) . . ?
C123 C124 C144 123.7(3) . . ?
C124 C125 C126 111.0(4) . . ?
C124 C125 C106 126.5(4) . . ?
C126 C125 C106 119.8(4) . . ?
C127 C126 C145 121.4(4) . . ?
C127 C126 C125 122.9(4) . . ?
C145 C126 C125 107.2(3) . . ?
C126 C127 C128 117.6(4) . . ?
C126 C127 C108 124.0(4) . . ?
C128 C127 C108 109.1(3) . . ?
C147 C128 C127 121.4(4) . . ?
C147 C128 C129 119.5(4) . . ?
C127 C128 C129 108.5(4) . . ?
C109 C129 C130 122.7(4) . . ?
C109 C129 C128 109.4(4) . . ?
C130 C129 C128 120.5(4) . . ?
C131 C130 C129 115.4(4) . . ?
C131 C130 C149 118.2(4) . . ?
C129 C130 C149 119.0(4) . . ?
C130 C131 C111 120.5(4) . . ?
C130 C131 C132 121.2(4) . . ?
C111 C131 C132 108.5(4) . . ?
C133 C132 C113 119.3(4) . . ?
C133 C132 C131 120.1(4) . . ?
C113 C132 C131 107.6(4) . . ?
C132 C133 C150 119.5(4) . . ?
C132 C133 C134 121.1(4) . . ?
C150 C133 C134 109.1(4) . . ?
C135 C134 C133 119.7(4) . . ?
C135 C134 C152 124.0(4) . . ?
C133 C134 C152 108.4(4) . . ?
C134 C135 C114 119.5(4) . . ?
C134 C135 C136 124.1(4) . . ?
C114 C135 C136 109.3(4) . . ?
C137 C136 C135 108.2(4) . . ?
C137 C136 C116 107.9(4) . . ?
C135 C136 C116 100.1(4) . . ?
C137 C136 C172 114.1(4) . . ?
C135 C136 C172 112.6(4) . . ?
C116 C136 C172 112.9(4) . . ?
C153 C137 C136 123.4(4) . . ?
C153 C137 C138 107.8(4) . . ?
C136 C137 C138 124.7(4) . . ?
C118 C138 C139 107.8(4) . . ?
C118 C138 C137 110.4(4) . . ?
C139 C138 C137 102.7(3) . . ?
C118 C138 C174 108.6(3) . . ?
C139 C138 C174 111.0(4) . . ?
C137 C138 C174 115.9(4) . . ?
C154 C139 C140 120.8(4) . . ?
C154 C139 C138 108.8(4) . . ?
C140 C139 C138 124.2(4) . . ?
C139 C140 C141 115.3(4) . . ?
C139 C140 C120 119.2(4) . . ?
C141 C140 C120 117.9(4) . . ?
C140 C141 C156 122.5(4) . . ?
C140 C141 C142 121.4(4) . . ?
C156 C141 C142 107.4(4) . . ?
C122 C142 C141 120.1(4) . . ?
C122 C142 C143 123.9(4) . . ?
C141 C142 C143 107.4(4) . . ?
C157 C143 C142 108.3(4) . . ?
C157 C143 C144 124.6(4) . . ?
C142 C143 C144 121.5(4) . . ?
C143 C144 C145 107.8(3) . . ?
C143 C144 C124 109.0(3) . . ?
C145 C144 C124 101.1(3) . . ?
C143 C144 C176 109.7(3) . . ?
C145 C144 C176 114.5(3) . . ?
C124 C144 C176 114.2(3) . . ?
C146 C145 C126 120.3(4) . . ?
C146 C145 C144 123.4(4) . . ?
C126 C145 C144 109.0(3) . . ?
C145 C146 C147 118.3(4) . . ?
C145 C146 C158 124.3(4) . . ?
C147 C146 C158 108.7(3) . . ?
C128 C147 C146 120.3(4) . . ?
C128 C147 C148 120.1(4) . . ?
C146 C147 C148 108.8(4) . . ?
C159 C148 C149 121.3(4) . . ?
C159 C148 C147 109.5(4) . . ?
C149 C148 C147 121.8(4) . . ?
C150 C149 C148 116.0(4) . . ?
C150 C149 C130 119.5(4) . . ?
C148 C149 C130 118.4(4) . . ?
C149 C150 C151 121.9(4) . . ?
C149 C150 C133 121.2(4) . . ?
C151 C150 C133 108.4(4) . . ?
C160 C151 C150 120.1(4) . . ?
C160 C151 C152 124.8(4) . . ?
C150 C151 C152 110.2(4) . . ?
C153 C152 C178 113.3(3) . . ?
C153 C152 C134 107.1(4) . . ?
C178 C152 C134 112.3(4) . . ?
C153 C152 C151 108.8(3) . . ?
C178 C152 C151 112.7(4) . . ?
C134 C152 C151 101.9(3) . . ?
C137 C153 C154 111.7(4) . . ?
C137 C153 C152 125.2(4) . . ?
C154 C153 C152 120.7(4) . . ?
C139 C154 C155 122.7(4) . . ?
C139 C154 C153 108.0(4) . . ?
C155 C154 C153 123.3(4) . . ?
C156 C155 C154 116.1(4) . . ?
C156 C155 C160 118.0(3) . . ?
C154 C155 C160 117.6(4) . . ?
C155 C156 C141 120.8(4) . . ?
C155 C156 C157 123.6(4) . . ?
C141 C156 C157 107.7(4) . . ?
C143 C157 C156 109.1(3) . . ?
C143 C157 C158 124.1(4) . . ?
C156 C157 C158 121.2(4) . . ?
C157 C158 C146 108.3(3) . . ?
C157 C158 C159 108.6(3) . . ?
C146 C158 C159 101.5(3) . . ?
C157 C158 C180 116.0(3) . . ?
C146 C158 C180 111.2(3) . . ?
C159 C158 C180 110.3(3) . . ?
C148 C159 C160 121.4(4) . . ?
C148 C159 C158 109.3(3) . . ?
C160 C159 C158 124.6(4) . . ?
C159 C160 C151 116.4(4) . . ?
C159 C160 C155 118.7(4) . . ?
C151 C160 C155 118.8(3) . . ?
F51 C161 F52 104.9(5) . . ?
F51 C161 C162 107.3(4) . . ?
F52 C161 C162 107.6(4) . . ?
F51 C161 C91 111.1(4) . . ?
F52 C161 C91 108.3(4) . . ?
C162 C161 C91 116.9(6) . . ?
F54 C162 F53 109.7(7) . . ?
F54 C162 F55 110.1(5) . . ?
F53 C162 F55 107.8(4) . . ?
F54 C162 C161 109.9(5) . . ?
F53 C162 C161 109.6(4) . . ?
F55 C162 C161 109.7(7) . . ?
C165 C163 F56 93.4(16) . . ?
C165 C163 F57 38.2(16) . . ?
F56 C163 F57 107.2(7) . . ?
C165 C163 C164 79.9(18) . . ?
F56 C163 C164 110.0(5) . . ?
F57 C163 C164 107.6(5) . . ?
C165 C163 C101 143.9(17) . . ?
F56 C163 C101 109.3(4) . . ?
F57 C163 C101 106.6(5) . . ?
C164 C163 C101 115.7(6) . . ?
F60 C164 F58 117.6(8) . . ?
F60 C164 F59 106.6(5) . . ?
F58 C164 F59 103.6(5) . . ?
F60 C164 C163 111.0(5) . . ?
F58 C164 C163 114.9(5) . . ?
F59 C164 C163 100.8(7) . . ?
F60 C164 C165 144.5(13) . . ?
F58 C164 C165 97.8(12) . . ?
F59 C164 C165 63.9(12) . . ?
C163 C164 C165 45.4(12) . . ?
F57 C165 F60A 144(4) . . ?
F57 C165 C163 81(2) . . ?
F60A C165 C163 135(4) . . ?
F57 C165 F59A 49.2(18) . . ?
F60A C165 F59A 111(3) . . ?
C163 C165 F59A 105(2) . . ?
F57 C165 F58A 60(2) . . ?
F60A C165 F58A 106(3) . . ?
C163 C165 F58A 94(2) . . ?
F59A C165 F58A 101(3) . . ?
F57 C165 F59 165(3) . . ?
F60A C165 F59 42.3(18) . . ?
C163 C165 F59 96(2) . . ?
F59A C165 F59 119(3) . . ?
F58A C165 F59 135(2) . . ?
F57 C165 C164 119(3) . . ?
F60A C165 C164 91(3) . . ?
C163 C165 C164 54.7(14) . . ?
F59A C165 C164 101(2) . . ?
F58A C165 C164 145(3) . . ?
F59 C165 C164 49.3(11) . . ?
F61 C166 F62 106.5(4) . . ?
F61 C166 C167 107.7(4) . . ?
F62 C166 C167 106.6(4) . . ?
F61 C166 C106 109.7(3) . . ?
F62 C166 C106 107.5(3) . . ?
C167 C166 C106 118.2(4) . . ?
F63 C167 F64 107.6(4) . . ?
F63 C167 F65 107.9(5) . . ?
F64 C167 F65 107.6(4) . . ?
F63 C167 C166 111.9(4) . . ?
F64 C167 C166 111.2(4) . . ?
F65 C167 C166 110.4(4) . . ?
F67 C168 F66 108.0(3) . . ?
F67 C168 C169 106.5(3) . . ?
F66 C168 C169 105.7(3) . . ?
F67 C168 C108 109.4(3) . . ?
F66 C168 C108 108.0(3) . . ?
C169 C168 C108 118.8(4) . . ?
F70 C169 F68 109.4(4) . . ?
F70 C169 F69 107.9(4) . . ?
F68 C169 F69 108.8(3) . . ?
F70 C169 C168 111.2(4) . . ?
F68 C169 C168 109.7(4) . . ?
F69 C169 C168 109.8(4) . . ?
F72 C170 F71 107.7(4) . . ?
F72 C170 C171 107.2(4) . . ?
F71 C170 C171 104.6(4) . . ?
F72 C170 C123 110.9(4) . . ?
F71 C170 C123 108.7(4) . . ?
C171 C170 C123 117.2(4) . . ?
F74 C171 F75 108.5(4) . . ?
F74 C171 F73 108.9(5) . . ?
F75 C171 F73 108.6(5) . . ?
F74 C171 C170 111.2(5) . . ?
F75 C171 C170 109.1(5) . . ?
F73 C171 C170 110.5(4) . . ?
F77 C172 F76 108.2(4) . . ?
F77 C172 C173 106.5(6) . . ?
F76 C172 C173 105.8(5) . . ?
F77 C172 C136 110.5(4) . . ?
F76 C172 C136 108.5(5) . . ?
C173 C172 C136 117.0(4) . . ?
F78 C173 F80 109.3(6) . . ?
F78 C173 F79 106.7(6) . . ?
F80 C173 F79 108.0(6) . . ?
F78 C173 C172 111.4(6) . . ?
F80 C173 C172 110.3(5) . . ?
F79 C173 C172 111.1(5) . . ?
F82 C174 F81 107.3(3) . . ?
F82 C174 C175 106.5(4) . . ?
F81 C174 C175 106.7(4) . . ?
F82 C174 C138 108.1(4) . . ?
F81 C174 C138 108.9(4) . . ?
C175 C174 C138 118.9(4) . . ?
F85 C175 F83 108.3(4) . . ?
F85 C175 F84 108.0(5) . . ?
F83 C175 F84 107.4(5) . . ?
F85 C175 C174 110.7(5) . . ?
F83 C175 C174 111.2(4) . . ?
F84 C175 C174 111.1(5) . . ?
F87 C176 F86 107.0(3) . . ?
F87 C176 C177 106.4(4) . . ?
F86 C176 C177 107.8(4) . . ?
F87 C176 C144 109.5(3) . . ?
F86 C176 C144 108.9(3) . . ?
C177 C176 C144 116.8(4) . . ?
F90 C177 F88 109.5(4) . . ?
F90 C177 F89 108.8(4) . . ?
F88 C177 F89 108.1(4) . . ?
F90 C177 C176 111.3(4) . . ?
F88 C177 C176 110.2(4) . . ?
F89 C177 C176 108.9(4) . . ?
F92 C178 F91 107.5(4) . . ?
F92 C178 C152 109.0(4) . . ?
F91 C178 C152 110.1(4) . . ?
F92 C178 C179 106.3(4) . . ?
F91 C178 C179 106.0(4) . . ?
C152 C178 C179 117.5(4) . . ?
F94 C179 F95 108.2(4) . . ?
F94 C179 F93 107.4(4) . . ?
F95 C179 F93 107.2(4) . . ?
F94 C179 C178 112.2(4) . . ?
F95 C179 C178 111.1(4) . . ?
F93 C179 C178 110.6(4) . . ?
F97 C180 F96 107.6(3) . . ?
F97 C180 C181 107.4(4) . . ?
F96 C180 C181 106.9(3) . . ?
F97 C180 C158 110.5(3) . . ?
F96 C180 C158 108.2(3) . . ?
C181 C180 C158 115.9(3) . . ?
F98 C181 F100 107.9(4) . . ?
F98 C181 F99 108.5(4) . . ?
F100 C181 F99 107.6(4) . . ?
F98 C181 C180 112.5(4) . . ?
F100 C181 C180 109.5(4) . . ?
F99 C181 C180 110.6(4) . . ?
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
F1 C71 1.357(4) . ?
F2 C71 1.351(5) . ?
F3 C72 1.327(5) . ?
F4 C72 1.336(5) . ?
F5 C72 1.332(5) . ?
F6 C73 1.352(5) . ?
F7 C73 1.359(5) . ?
F8 C74 1.328(5) . ?
F9 C74 1.318(5) . ?
F10 C74 1.333(5) . ?
F11 C75 1.359(4) . ?
F12 C75 1.352(5) . ?
F13 C76 1.319(5) . ?
F14 C76 1.329(5) . ?
F15 C76 1.321(5) . ?
F16 C77 1.340(5) . ?
F17 C77 1.349(5) . ?
F18 C78 1.328(5) . ?
F19 C78 1.319(5) . ?
F20 C78 1.298(5) . ?
F21 C79 1.340(4) . ?
F22 C79 1.383(5) . ?
F23 C80 1.328(5) . ?
F24 C80 1.336(5) . ?
F25 C80 1.333(5) . ?
F26 C81 1.348(5) . ?
F27 C81 1.353(5) . ?
F28 C82 1.317(5) . ?
F29 C82 1.327(6) . ?
F30 C82 1.338(6) . ?
F31 C83 1.359(4) . ?
F32 C83 1.347(5) . ?
F33 C84 1.320(5) . ?
F34 C84 1.327(6) . ?
F35 C84 1.320(5) . ?
F36 C85 1.354(5) . ?
F37 C85 1.348(5) . ?
F38 C86 1.315(6) . ?
F39 C86 1.334(5) . ?
F40 C86 1.327(6) . ?
F41 C87 1.362(5) . ?
F42 C87 1.341(5) . ?
F43 C88 1.322(5) . ?
F44 C88 1.317(6) . ?
F45 C88 1.319(5) . ?
F46 C89 1.365(5) . ?
F47 C89 1.348(5) . ?
F48 C90 1.358(5) . ?
F49 C90 1.314(5) . ?
F50 C90 1.308(5) . ?
F51 C161 1.363(7) . ?
F52 C161 1.386(6) . ?
F53 C162 1.322(7) . ?
F54 C162 1.273(7) . ?
F55 C162 1.356(7) . ?
F56 C163 1.334(6) . ?
F57 C165 0.92(3) . ?
F57 F59A 1.061(15) . ?
F57 F58A 1.306(13) . ?
F57 C163 1.465(9) . ?
F58 C164 1.244(6) . ?
F58A C165 1.49(4) . ?
F59 F60A 1.20(2) . ?
F59 C164 1.483(10) . ?
F59 C165 1.76(4) . ?
F59A C165 1.40(4) . ?
F60 C164 1.179(9) . ?
F60A C165 1.11(4) . ?
F61 C166 1.348(5) . ?
F62 C166 1.365(5) . ?
F63 C167 1.324(6) . ?
F64 C167 1.325(6) . ?
F65 C167 1.332(6) . ?
F66 C168 1.382(5) . ?
F67 C168 1.349(5) . ?
F68 C169 1.322(5) . ?
F69 C169 1.335(5) . ?
F70 C169 1.320(5) . ?
F71 C170 1.359(5) . ?
F72 C170 1.336(6) . ?
F73 C171 1.336(7) . ?
F74 C171 1.327(7) . ?
F75 C171 1.333(7) . ?
F76 C172 1.354(7) . ?
F77 C172 1.325(7) . ?
F78 C173 1.308(8) . ?
F79 C173 1.342(8) . ?
F80 C173 1.317(6) . ?
F81 C174 1.355(5) . ?
F82 C174 1.353(6) . ?
F83 C175 1.320(5) . ?
F84 C175 1.328(7) . ?
F85 C175 1.318(7) . ?
F86 C176 1.351(5) . ?
F87 C176 1.346(5) . ?
F88 C177 1.323(6) . ?
F89 C177 1.330(5) . ?
F90 C177 1.320(6) . ?
F91 C178 1.347(5) . ?
F92 C178 1.347(5) . ?
F93 C179 1.337(5) . ?
F94 C179 1.321(6) . ?
F95 C179 1.329(6) . ?
F96 C180 1.371(5) . ?
F97 C180 1.330(5) . ?
F98 C181 1.297(6) . ?
F99 C181 1.341(5) . ?
F100 C181 1.325(5) . ?
C1 C2 1.527(5) . ?
C1 C9 1.534(5) . ?
C1 C6 1.549(5) . ?
C1 C71 1.565(5) . ?
C2 C3 1.396(5) . ?
C2 C12 1.402(5) . ?
C3 C15 1.393(5) . ?
C3 C4 1.478(5) . ?
C4 C17 1.359(5) . ?
C4 C5 1.467(6) . ?
C5 C6 1.375(5) . ?
C5 C20 1.468(5) . ?
C6 C7 1.430(6) . ?
C7 C22 1.390(5) . ?
C7 C8 1.430(6) . ?
C8 C25 1.413(6) . ?
C8 C9 1.430(5) . ?
C9 C10 1.371(6) . ?
C10 C27 1.435(5) . ?
C10 C11 1.532(5) . ?
C11 C12 1.525(5) . ?
C11 C29 1.549(5) . ?
C11 C73 1.557(5) . ?
C12 C13 1.405(5) . ?
C13 C14 1.420(5) . ?
C13 C31 1.458(5) . ?
C14 C15 1.372(5) . ?
C14 C33 1.531(5) . ?
C15 C16 1.532(5) . ?
C16 C35 1.520(5) . ?
C16 C75 1.540(6) . ?
C16 C17 1.542(5) . ?
C17 C18 1.520(5) . ?
C18 C19 1.528(6) . ?
C18 C37 1.551(5) . ?
C18 C77 1.555(6) . ?
C19 C39 1.408(5) . ?
C19 C20 1.409(6) . ?
C20 C21 1.412(6) . ?
C21 C41 1.439(5) . ?
C21 C22 1.441(6) . ?
C22 C23 1.442(6) . ?
C23 C24 1.391(6) . ?
C23 C42 1.424(6) . ?
C24 C45 1.430(6) . ?
C24 C25 1.446(5) . ?
C25 C26 1.410(6) . ?
C26 C27 1.380(5) . ?
C26 C46 1.554(5) . ?
C27 C28 1.438(5) . ?
C28 C29 1.354(5) . ?
C28 C48 1.514(5) . ?
C29 C30 1.448(5) . ?
C30 C31 1.389(5) . ?
C30 C50 1.451(5) . ?
C31 C32 1.436(5) . ?
C32 C52 1.356(5) . ?
C32 C33 1.545(5) . ?
C33 C34 1.529(5) . ?
C33 C79 1.573(5) . ?
C34 C35 1.347(6) . ?
C34 C54 1.557(5) . ?
C35 C36 1.466(5) . ?
C36 C37 1.374(6) . ?
C36 C55 1.428(6) . ?
C37 C38 1.404(6) . ?
C38 C57 1.385(6) . ?
C38 C39 1.460(6) . ?
C39 C40 1.414(6) . ?
C40 C41 1.407(6) . ?
C40 C59 1.457(6) . ?
C41 C42 1.433(6) . ?
C42 C43 1.397(6) . ?
C43 C44 1.425(6) . ?
C43 C60 1.437(6) . ?
C44 C45 1.377(6) . ?
C44 C62 1.537(6) . ?
C45 C46 1.534(6) . ?
C46 C47 1.538(5) . ?
C46 C81 1.543(6) . ?
C47 C63 1.342(6) . ?
C47 C48 1.537(5) . ?
C48 C49 1.516(5) . ?
C48 C83 1.554(5) . ?
C49 C64 1.400(5) . ?
C49 C50 1.416(5) . ?
C50 C51 1.405(5) . ?
C51 C52 1.429(5) . ?
C51 C66 1.435(5) . ?
C52 C53 1.473(5) . ?
C53 C67 1.357(6) . ?
C53 C54 1.506(6) . ?
C54 C85 1.538(6) . ?
C54 C55 1.541(5) . ?
C55 C56 1.372(6) . ?
C56 C57 1.430(6) . ?
C56 C68 1.530(6) . ?
C57 C58 1.439(6) . ?
C58 C59 1.405(6) . ?
C58 C69 1.417(6) . ?
C59 C60 1.411(6) . ?
C60 C61 1.410(6) . ?
C61 C70 1.406(6) . ?
C61 C62 1.535(6) . ?
C62 C63 1.512(5) . ?
C62 C87 1.553(5) . ?
C63 C64 1.471(5) . ?
C64 C65 1.402(6) . ?
C65 C66 1.399(6) . ?
C65 C70 1.491(5) . ?
C66 C67 1.452(6) . ?
C67 C68 1.514(5) . ?
C68 C69 1.539(6) . ?
C68 C89 1.564(6) . ?
C69 C70 1.391(6) . ?
C71 C72 1.503(6) . ?
C73 C74 1.528(6) . ?
C75 C76 1.544(6) . ?
C77 C78 1.551(6) . ?
C79 C80 1.518(6) . ?
C81 C82 1.538(6) . ?
C83 C84 1.535(6) . ?
C85 C86 1.535(6) . ?
C87 C88 1.526(6) . ?
C89 C90 1.514(6) . ?
C91 C92 1.519(7) . ?
C91 C99 1.532(7) . ?
C91 C161 1.562(7) . ?
C91 C96 1.565(7) . ?
C92 C93 1.403(6) . ?
C92 C102 1.408(6) . ?
C93 C105 1.377(7) . ?
C93 C94 1.472(6) . ?
C94 C107 1.354(6) . ?
C94 C95 1.473(7) . ?
C95 C96 1.378(6) . ?
C95 C110 1.436(6) . ?
C96 C97 1.433(7) . ?
C97 C112 1.366(7) . ?
C97 C98 1.445(6) . ?
C98 C115 1.402(7) . ?
C98 C99 1.419(8) . ?
C99 C100 1.378(7) . ?
C100 C117 1.445(7) . ?
C100 C101 1.508(8) . ?
C101 C102 1.533(7) . ?
C101 C119 1.545(6) . ?
C101 C163 1.552(7) . ?
C102 C103 1.399(7) . ?
C103 C104 1.423(6) . ?
C103 C121 1.467(6) . ?
C104 C105 1.376(6) . ?
C104 C123 1.534(7) . ?
C105 C106 1.540(6) . ?
C106 C125 1.496(6) . ?
C106 C166 1.550(6) . ?
C106 C107 1.555(6) . ?
C107 C108 1.520(6) . ?
C108 C109 1.532(6) . ?
C108 C127 1.546(6) . ?
C108 C168 1.555(6) . ?
C109 C129 1.390(6) . ?
C109 C110 1.422(6) . ?
C110 C111 1.415(7) . ?
C111 C131 1.429(7) . ?
C111 C112 1.443(6) . ?
C112 C113 1.444(7) . ?
C113 C114 1.396(6) . ?
C113 C132 1.438(7) . ?
C114 C135 1.432(7) . ?
C114 C115 1.455(8) . ?
C115 C116 1.424(7) . ?
C116 C117 1.374(8) . ?
C116 C136 1.552(8) . ?
C117 C118 1.448(7) . ?
C118 C119 1.361(7) . ?
C118 C138 1.495(7) . ?
C119 C120 1.439(7) . ?
C120 C121 1.390(7) . ?
C120 C140 1.451(6) . ?
C121 C122 1.432(6) . ?
C122 C142 1.354(6) . ?
C122 C123 1.529(6) . ?
C123 C124 1.538(6) . ?
C123 C170 1.566(6) . ?
C124 C125 1.342(6) . ?
C124 C144 1.557(6) . ?
C125 C126 1.476(6) . ?
C126 C127 1.376(6) . ?
C126 C145 1.433(6) . ?
C127 C128 1.413(6) . ?
C128 C147 1.377(6) . ?
C128 C129 1.459(6) . ?
C129 C130 1.436(6) . ?
C130 C131 1.412(6) . ?
C130 C149 1.449(6) . ?
C131 C132 1.455(6) . ?
C132 C133 1.363(7) . ?
C133 C150 1.453(6) . ?
C133 C134 1.458(6) . ?
C134 C135 1.351(7) . ?
C134 C152 1.531(6) . ?
C135 C136 1.547(7) . ?
C136 C137 1.520(7) . ?
C136 C172 1.572(7) . ?
C137 C153 1.357(6) . ?
C137 C138 1.549(7) . ?
C138 C139 1.521(6) . ?
C138 C174 1.556(6) . ?
C139 C154 1.401(6) . ?
C139 C140 1.403(6) . ?
C140 C141 1.416(6) . ?
C141 C156 1.416(6) . ?
C141 C142 1.439(6) . ?
C142 C143 1.465(6) . ?
C143 C157 1.362(6) . ?
C143 C144 1.515(6) . ?
C144 C145 1.528(6) . ?
C144 C176 1.561(6) . ?
C145 C146 1.364(6) . ?
C146 C147 1.442(6) . ?
C146 C158 1.528(6) . ?
C147 C148 1.444(6) . ?
C148 C159 1.406(6) . ?
C148 C149 1.419(6) . ?
C149 C150 1.403(6) . ?
C150 C151 1.426(6) . ?
C151 C160 1.412(6) . ?
C151 C152 1.534(6) . ?
C152 C153 1.515(6) . ?
C152 C178 1.525(7) . ?
C153 C154 1.463(6) . ?
C154 C155 1.416(6) . ?
C155 C156 1.389(6) . ?
C155 C160 1.483(5) . ?
C156 C157 1.464(6) . ?
C157 C158 1.510(5) . ?
C158 C159 1.543(6) . ?
C158 C180 1.555(6) . ?
C159 C160 1.408(6) . ?
C161 C162 1.520(9) . ?
C163 C165 1.30(4) . ?
C163 C164 1.491(9) . ?
C164 C165 1.80(4) . ?
C166 C167 1.526(7) . ?
C168 C169 1.521(6) . ?
C170 C171 1.543(7) . ?
C172 C173 1.539(9) . ?
C174 C175 1.518(7) . ?
C176 C177 1.548(7) . ?
C178 C179 1.529(7) . ?
C180 C181 1.530(7) . ?
