#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/44/7014417.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_7014417
loop_
_publ_author_name
'Ovchinnikova, Natalia S.'
'Goryunkov, Alexey A.'
'Khavrel, Pavel A.'
'Belov, Nikita M.'
'Apenova, Marina G.'
'Ioffe, Ilya N.'
'Yurovskaya, Marina A.'
'Troyanov, Sergey I.'
'Sidorov, Lev N.'
'Kemnitz, Erhard'
_publ_section_title
;
 Unexpected fullerene dimerization via [5,6]-bond upon
 functionalization of C(s)-C70(CF3)8 by the Bingel reaction.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              959
_journal_page_last               965
_journal_paper_doi               10.1039/c0dt00777c
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C184 H45.81 F48 O18.9'
_chemical_formula_weight         3470.50
_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   nodef
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.500(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.3890(10)
_cell_length_b                   23.771(3)
_cell_length_c                   19.664(2)
_cell_measurement_reflns_used    35000
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32
_cell_measurement_theta_min      5
_cell_volume                     7175.6(13)
_computing_cell_refinement       XDS
_computing_data_collection       XDS
_computing_data_reduction        XDS
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.848
_diffrn_measurement_device_type  MAR225
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  Cu(113)
_diffrn_radiation_source         'BL 14.2, PSF, BESSY, Berlin, germany'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.90500
_diffrn_reflns_av_R_equivalents  0.1432
_diffrn_reflns_av_sigmaI/netI    0.0792
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            90559
_diffrn_reflns_theta_full        32.60
_diffrn_reflns_theta_max         36.91
_diffrn_reflns_theta_min         2.82
_exptl_absorpt_coefficient_mu    0.146
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3466
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.811
_refine_diff_density_min         -0.438
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1261
_refine_ls_number_reflns         14897
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.148
_refine_ls_R_factor_all          0.1829
_refine_ls_R_factor_gt           0.1213
_refine_ls_shift/su_max          0.041
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0900P)²+22.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2886
_refine_ls_wR_factor_ref         0.3108
_reflns_number_gt                8907
_reflns_number_total             14897
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT00777C.TXT
_cod_data_source_block           xtest
_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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        7175.6(12)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C184 H45.81 F48 O18.90'
_cod_database_code               7014417
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 0.7763(3) 0.37208(14) 0.18676(18) 0.0704(11) Uani 1 1 d . . .
F2 F 0.6414(3) 0.35012(14) 0.12735(18) 0.0683(10) Uani 1 1 d . . .
F3 F 0.6921(4) 0.34093(14) 0.2430(2) 0.1015(17) Uani 1 1 d . . .
F4 F 0.9457(3) 0.47318(17) 0.37852(19) 0.0866(14) Uani 1 1 d . . .
F5 F 0.8786(3) 0.40974(16) 0.3058(2) 0.0846(13) Uani 1 1 d . . .
F6 F 0.9519(3) 0.4725(2) 0.2733(3) 0.1110(18) Uani 1 1 d . . .
C73 C 0.8683(4) 0.5504(2) 0.4873(3) 0.0556(15) Uani 1 1 d D . .
F7 F 0.8713(3) 0.58854(15) 0.53747(18) 0.0598(14) Uani 0.875(10) 1 d PD . .
F8 F 0.8582(3) 0.50164(15) 0.5126(2) 0.081(2) Uani 0.875(10) 1 d PD . .
F9 F 0.9481(3) 0.5536(3) 0.4809(2) 0.0782(18) Uani 0.875(10) 1 d PD . .
F7A F 0.9199(13) 0.5105(8) 0.4779(10) 0.042(8) Uani 0.125(10) 1 d PD . .
F8A F 0.9220(14) 0.5942(8) 0.5163(17) 0.088(13) Uani 0.125(10) 1 d PDU . .
F9A F 0.8327(18) 0.5316(12) 0.5320(14) 0.114(14) Uani 0.125(10) 1 d PDU . .
F10 F 0.7217(3) 0.54436(19) 0.55137(18) 0.0922(15) Uani 1 1 d . . .
F11 F 0.6227(3) 0.48131(17) 0.52231(19) 0.0853(13) Uani 1 1 d . . .
F12 F 0.5888(4) 0.5651(2) 0.5399(2) 0.1059(17) Uani 1 1 d . . .
F13 F 0.3109(3) 0.70219(15) -0.02700(18) 0.0727(11) Uani 1 1 d . . .
F14 F 0.2645(2) 0.61647(17) -0.04543(17) 0.0680(10) Uani 1 1 d . . .
F15 F 0.2279(3) 0.6658(3) 0.0303(2) 0.1049(18) Uani 1 1 d . . .
F16 F 0.4611(4) 0.6362(2) 0.4835(2) 0.1060(17) Uani 1 1 d . . .
F17 F 0.4828(5) 0.7166(2) 0.4505(3) 0.127(2) Uani 1 1 d . . .
F18 F 0.3610(4) 0.6762(3) 0.3989(3) 0.128(2) Uani 1 1 d . . .
F19 F 0.4516(3) 0.82771(14) 0.1470(2) 0.0801(12) Uani 1 1 d . . .
F20 F 0.4675(4) 0.80446(17) 0.0476(2) 0.0972(16) Uani 1 1 d . . .
F21 F 0.3545(3) 0.77893(16) 0.0701(2) 0.0887(14) Uani 1 1 d . . .
F22 F 0.5824(3) 0.80751(17) 0.3927(2) 0.1009(17) Uani 1 1 d . . .
F23 F 0.5112(4) 0.83424(16) 0.2860(2) 0.1075(18) Uani 1 1 d . . .
F24 F 0.4485(4) 0.7882(2) 0.3434(4) 0.125(2) Uani 1 1 d . . .
C1 C 0.6623(4) 0.4336(2) 0.1972(2) 0.0489(14) Uani 1 1 d . . .
C2 C 0.6964(3) 0.47994(19) 0.1604(2) 0.0421(12) Uani 1 1 d . . .
C3 C 0.7733(3) 0.5073(2) 0.2015(2) 0.0442(12) Uani 1 1 d . . .
C4 C 0.8170(4) 0.5022(2) 0.2854(3) 0.0499(14) Uani 1 1 d . . .
C5 C 0.7490(3) 0.4852(2) 0.3178(2) 0.0443(13) Uani 1 1 d . . .
C6 C 0.6830(4) 0.44881(19) 0.2782(2) 0.0454(13) Uani 1 1 d . . .
C7 C 0.6090(4) 0.43880(19) 0.2960(3) 0.0491(14) Uani 1 1 d . . .
C8 C 0.5329(4) 0.4261(2) 0.2308(3) 0.0578(16) Uani 1 1 d . . .
C9 C 0.5630(4) 0.43223(19) 0.1712(3) 0.0483(13) Uani 1 1 d . . .
C10 C 0.5098(4) 0.4573(2) 0.1081(3) 0.0463(13) Uani 1 1 d . . .
C11 C 0.5464(3) 0.4880(2) 0.0575(3) 0.0486(13) Uani 1 1 d . . .
C12 C 0.6394(3) 0.50596(19) 0.0958(2) 0.0407(11) Uani 1 1 d . . .
C13 C 0.6636(3) 0.5580(2) 0.0767(2) 0.0400(11) Uani 1 1 d . . .
C14 C 0.7453(3) 0.5831(2) 0.1139(2) 0.0406(11) Uani 1 1 d . . .
C15 C 0.7982(3) 0.5585(2) 0.1786(3) 0.0457(12) Uani 1 1 d . . .
C16 C 0.8452(3) 0.5931(2) 0.2411(3) 0.0469(12) Uani 1 1 d . . .
C17 C 0.8468(3) 0.5631(2) 0.3039(3) 0.0471(13) Uani 1 1 d . . .
C18 C 0.8362(3) 0.5907(2) 0.3617(3) 0.0477(13) Uani 1 1 d . . .
C19 C 0.7939(3) 0.5647(2) 0.4133(2) 0.0468(13) Uani 1 1 d . . .
C20 C 0.7372(4) 0.51419(19) 0.3787(2) 0.0431(12) Uani 1 1 d . . .
C21 C 0.6616(4) 0.5052(2) 0.3951(2) 0.0481(13) Uani 1 1 d . . .
C22 C 0.5961(4) 0.4666(2) 0.3542(3) 0.0515(14) Uani 1 1 d . . .
C23 C 0.5088(4) 0.4852(2) 0.3505(3) 0.0519(14) Uani 1 1 d . . .
C24 C 0.4369(4) 0.4749(3) 0.2875(3) 0.0572(15) Uani 1 1 d . . .
C25 C 0.4484(5) 0.4444(2) 0.2274(3) 0.0605(16) Uani 1 1 d . . .
C26 C 0.3927(4) 0.4708(2) 0.1600(3) 0.0542(15) Uani 1 1 d . . .
C27 C 0.4249(4) 0.4781(2) 0.1046(3) 0.0487(13) Uani 1 1 d . . .
C28 C 0.4072(3) 0.5297(2) 0.0617(3) 0.0473(13) Uani 1 1 d . . .
C29 C 0.4747(3) 0.5381(2) 0.0248(3) 0.0437(12) Uani 1 1 d . . .
C30 C 0.5096(3) 0.59730(19) 0.0370(2) 0.0403(11) Uani 1 1 d . . .
C31 C 0.5985(3) 0.60339(19) 0.0471(2) 0.0391(11) Uani 1 1 d . . .
C32 C 0.6430(3) 0.65473(19) 0.0677(2) 0.0414(12) Uani 1 1 d . . .
C33 C 0.7382(4) 0.6441(2) 0.1019(3) 0.0450(12) Uani 1 1 d . . .
C34 C 0.7899(4) 0.6823(2) 0.1701(3) 0.0491(13) Uani 1 1 d . . .
C35 C 0.8378(3) 0.6511(2) 0.2380(3) 0.0473(12) Uani 1 1 d . . .
C36 C 0.8227(3) 0.6791(2) 0.2961(3) 0.0483(13) Uani 1 1 d . . .
C37 C 0.8215(3) 0.6495(2) 0.3569(3) 0.0479(13) Uani 1 1 d . . .
C38 C 0.7579(3) 0.6619(2) 0.3909(2) 0.0460(13) Uani 1 1 d . . .
C39 C 0.7315(4) 0.6129(2) 0.4188(2) 0.0455(13) Uani 1 1 d . . .
C40 C 0.6463(4) 0.6068(2) 0.4195(2) 0.0480(13) Uani 1 1 d . . .
C41 C 0.6179(4) 0.5477(2) 0.4316(3) 0.0514(14) Uani 1 1 d . . .
C42 C 0.5200(4) 0.5373(3) 0.3882(3) 0.0535(14) Uani 1 1 d . . .
C43 C 0.4596(4) 0.5795(3) 0.3611(3) 0.0568(14) Uani 1 1 d . . .
C44 C 0.3869(4) 0.5702(3) 0.2948(3) 0.0578(15) Uani 1 1 d . . .
C45 C 0.3730(4) 0.5188(3) 0.2602(3) 0.0613(16) Uani 1 1 d . . .
C46 C 0.3392(4) 0.5124(3) 0.1805(3) 0.0656(17) Uani 1 1 d . . .
C47 C 0.3251(4) 0.5685(3) 0.1356(3) 0.0586(15) Uani 1 1 d . . .
C48 C 0.3618(3) 0.5715(2) 0.0795(3) 0.0488(13) Uani 1 1 d . . .
C49 C 0.3772(4) 0.6344(2) 0.0674(3) 0.0501(13) Uani 1 1 d . . .
C50 C 0.4634(3) 0.6427(2) 0.0546(2) 0.0427(12) Uani 1 1 d . . .
C51 C 0.5099(4) 0.69253(19) 0.0818(2) 0.0445(12) Uani 1 1 d . . .
C52 C 0.5989(4) 0.69858(19) 0.0878(2) 0.0421(12) Uani 1 1 d . . .
C53 C 0.6454(4) 0.73364(19) 0.1510(3) 0.0460(13) Uani 1 1 d . . .
C54 C 0.7335(4) 0.7235(2) 0.1913(3) 0.0466(13) Uani 1 1 d . . .
C55 C 0.7593(4) 0.7236(2) 0.2677(3) 0.0464(13) Uani 1 1 d . . .
C56 C 0.6982(4) 0.73605(19) 0.3005(3) 0.0460(13) Uani 1 1 d . . .
C57 C 0.6964(4) 0.7049(2) 0.3629(3) 0.0456(13) Uani 1 1 d . . .
C58 C 0.6095(4) 0.6998(2) 0.3630(3) 0.0491(13) Uani 1 1 d . . .
C59 C 0.5831(4) 0.6509(2) 0.3909(3) 0.0473(12) Uani 1 1 d . . .
C60 C 0.4836(4) 0.6414(3) 0.3706(3) 0.0572(14) Uani 1 1 d . . .
C61 C 0.4356(4) 0.6638(3) 0.2921(3) 0.0539(14) Uani 1 1 d . . .
C62 C 0.3749(4) 0.6222(3) 0.2534(3) 0.0580(15) Uani 1 1 d . . .
C63 C 0.3483(4) 0.6210(3) 0.1784(3) 0.0551(14) Uani 1 1 d . . .
C64 C 0.3825(4) 0.6593(2) 0.1419(3) 0.0540(14) Uani 1 1 d . . .
C65 C 0.4416(4) 0.7013(2) 0.1790(3) 0.0501(13) Uani 1 1 d . . .
C66 C 0.4900(4) 0.7329(2) 0.1363(3) 0.0510(14) Uani 1 1 d . . .
C67 C 0.5838(4) 0.74821(19) 0.1846(3) 0.0468(13) Uani 1 1 d . . .
C68 C 0.6091(4) 0.75018(19) 0.2586(3) 0.0486(13) Uani 1 1 d . . .
C69 C 0.5477(4) 0.7381(2) 0.3015(3) 0.0514(14) Uani 1 1 d . . .
C70 C 0.4688(4) 0.7034(2) 0.2560(3) 0.0494(13) Uani 1 1 d . . .
C71 C 0.6964(5) 0.3734(2) 0.1891(3) 0.0561(15) Uani 1 1 d . . .
C72 C 0.8994(4) 0.4630(3) 0.3106(3) 0.0566(15) Uani 1 1 d . . .
C74 C 0.6370(5) 0.5347(3) 0.5125(3) 0.0614(16) Uani 1 1 d . . .
C75 C 0.2943(4) 0.6554(3) 0.0046(3) 0.0653(17) Uani 1 1 d . . .
C76 C 0.4460(6) 0.6687(3) 0.4263(4) 0.077(2) Uani 1 1 d . . .
C77 C 0.4396(5) 0.7869(2) 0.0993(3) 0.0608(16) Uani 1 1 d . . .
C78 C 0.5220(5) 0.7925(3) 0.3306(3) 0.0619(16) Uani 1 1 d . . .
C79 C 0.8121(4) 0.6851(2) 0.1009(3) 0.0561(14) Uani 1 1 d . . .
C80 C 0.7817(5) 0.7376(3) 0.0532(3) 0.0677(18) Uani 1 1 d . . .
C81 C 0.7861(7) 0.8340(3) 0.0455(5) 0.095(3) Uani 1 1 d . . .
C82 C 0.7004(7) 0.8555(3) 0.0527(5) 0.099(3) Uani 1 1 d . . .
C83 C 0.8975(5) 0.6600(3) 0.1002(4) 0.0671(17) Uani 1 1 d . . .
C84 C 1.0178(16) 0.6676(8) 0.0524(14) 0.229(12) Uani 1 1 d D . .
C85 C 1.061(9) 0.669(8) 0.134(3) 0.26(7) Uiso 0.40 1 d PD . .
C85A C 0.990(3) 0.6251(19) -0.007(2) 0.263(19) Uiso 0.60 1 d PD . .
C86 C 0.2437(6) 0.5302(5) 0.1316(5) 0.064(3) Uani 0.639(6) 1 d P . .
C87 C 0.2025(6) 0.4996(5) 0.0591(6) 0.067(3) Uani 0.639(6) 1 d P . .
C88 C 0.1031(9) 0.5119(6) -0.0569(8) 0.103(5) Uani 0.639(6) 1 d P . .
C89 C 0.0537(12) 0.5569(8) -0.1033(9) 0.124(6) Uani 0.639(6) 1 d P . .
C90 C 0.1792(10) 0.5457(7) 0.1679(7) 0.092(4) Uani 0.639(6) 1 d P . .
C91 C 0.148(3) 0.608(2) 0.247(3) 0.273(18) Uiso 0.639(6) 1 d PD . .
C92 C 0.145(3) 0.5550(19) 0.296(3) 0.285(19) Uiso 0.639(6) 1 d PD . .
C93 C 0.4640(18) 0.3755(10) 0.2317(10) 0.099(9) Uani 0.361(6) 1 d PD . .
C94 C 0.436(2) 0.3382(13) 0.1622(14) 0.109(9) Uani 0.361(6) 1 d PU . .
C95 C 0.4853(6) 0.2652(4) 0.1109(5) 0.067(2) Uani 0.361(6) 1 d PD . .
C96 C 0.56(3) 0.217(11) 0.151(8) 0.29(7) Uiso 0.361(6) 1 d PD . .
C97 C 0.453(3) 0.3455(16) 0.3016(15) 0.144(12) Uani 0.361(6) 1 d PDU . .
C98 C 0.3531(13) 0.3426(7) 0.3550(8) 0.062(5) Uani 0.361(6) 1 d P . .
C99 C 0.329(5) 0.301(4) 0.369(5) 0.27(3) Uiso 0.361(6) 1 d P . .
O1 O 0.7309(5) 0.7339(2) -0.0078(3) 0.114(2) Uani 1 1 d . . .
O2 O 0.8131(4) 0.7821(2) 0.0871(3) 0.0874(16) Uani 1 1 d . . .
O3 O 0.9319(3) 0.6209(3) 0.1338(3) 0.0883(16) Uani 1 1 d . . .
O4 O 0.9267(6) 0.6881(3) 0.0563(5) 0.149(3) Uani 1 1 d . . .
O5 O 0.2197(5) 0.4527(4) 0.0442(4) 0.086(3) Uani 0.639(6) 1 d P . .
O6 O 0.1441(5) 0.5331(4) 0.0156(4) 0.087(3) Uani 0.639(6) 1 d P . .
O7 O 0.1266(9) 0.5087(8) 0.1595(10) 0.186(8) Uani 0.639(6) 1 d P . .
O8 O 0.1885(6) 0.5863(6) 0.2057(6) 0.120(4) Uani 0.639(6) 1 d P . .
O9 O 0.3763(15) 0.3518(8) 0.1076(8) 0.124(7) Uani 0.361(6) 1 d P . .
O10 O 0.4708(11) 0.2914(5) 0.1624(11) 0.096(5) Uani 0.361(6) 1 d PDU . .
O11 O 0.3898(12) 0.3205(7) 0.2860(8) 0.118(8) Uani 0.361(6) 1 d P . .
O12 O 0.518(2) 0.3482(11) 0.3567(9) 0.178(13) Uani 0.361(6) 1 d P . .
O13 O 0.2402(7) 0.3645(5) 0.1915(7) 0.084(5) Uani 0.424(15) 1 d P . .
O14 O 0.2064(8) 0.3982(9) 0.2855(8) 0.103(7) Uani 0.346(9) 1 d P . .
O15 O 0.3637(17) 0.3139(9) 0.1688(14) 0.066(7) Uani 0.170(6) 1 d PU . .
O16 O 0.5111(17) 0.2961(9) 0.3063(17) 0.122(10) Uani 0.254(9) 1 d PU . .
O17 O 0.4853(6) 0.2652(4) 0.1109(5) 0.067(2) Uani 0.25 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
F9A C73 F8 44.0(13) . . ?
F9A C73 F7A 108.0(9) . . ?
F8 C73 F7A 65.6(10) . . ?
F9A C73 F7 68.9(14) . . ?
F8 C73 F7 107.7(5) . . ?
F7A C73 F7 137.0(9) . . ?
F9A C73 F8A 111.2(10) . . ?
F8 C73 F8A 132.8(14) . . ?
F7A C73 F8A 104.8(9) . . ?
F7 C73 F8A 46.6(13) . . ?
F9A C73 F9 139.5(14) . . ?
F8 C73 F9 110.0(5) . . ?
F7A C73 F9 49.1(10) . . ?
F7 C73 F9 104.1(5) . . ?
F8A C73 F9 59.4(13) . . ?
F9A C73 C19 108.4(15) . . ?
F8 C73 C19 112.7(5) . . ?
F7A C73 C19 110.6(9) . . ?
F7 C73 C19 110.8(4) . . ?
F8A C73 C19 113.7(13) . . ?
F9 C73 C19 111.2(5) . . ?
F8A F7 C73 68.0(9) . . ?
F8A F7 F9A 117.5(11) . . ?
C73 F7 F9A 54.5(8) . . ?
F9A F8 C73 68.0(7) . . ?
F9A F8 F7A 124.0(10) . . ?
C73 F8 F7A 58.3(6) . . ?
F7A F9 F8A 119.0(10) . . ?
F7A F9 C73 63.9(7) . . ?
F8A F9 C73 60.1(7) . . ?
F9 F7A C73 67.0(8) . . ?
F9 F7A F8 117.5(10) . . ?
C73 F7A F8 56.1(7) . . ?
F7 F8A F9 123.2(10) . . ?
F7 F8A C73 65.4(9) . . ?
F9 F8A C73 60.5(7) . . ?
F8 F9A C73 68.0(7) . . ?
F8 F9A F7 117.8(12) . . ?
C73 F9A F7 56.7(8) . . ?
C9 C1 C2 112.4(4) . . ?
C9 C1 C6 100.0(5) . . ?
C2 C1 C6 109.4(4) . . ?
C9 C1 C71 108.9(4) . . ?
C2 C1 C71 114.1(5) . . ?
C6 C1 C71 111.1(4) . . ?
C3 C2 C12 119.3(4) . . ?
C3 C2 C1 117.9(4) . . ?
C12 C2 C1 120.0(5) . . ?
C2 C3 C15 121.5(4) . . ?
C2 C3 C4 124.4(5) . . ?
C15 C3 C4 109.3(4) . . ?
C5 C4 C17 111.8(5) . . ?
C5 C4 C3 109.4(4) . . ?
C17 C4 C3 99.7(4) . . ?
C5 C4 C72 112.7(4) . . ?
C17 C4 C72 108.6(5) . . ?
C3 C4 C72 114.0(5) . . ?
C6 C5 C20 117.1(5) . . ?
C6 C5 C4 118.1(5) . . ?
C20 C5 C4 123.3(4) . . ?
C5 C6 C7 122.6(5) . . ?
C5 C6 C1 124.7(5) . . ?
C7 C6 C1 108.7(4) . . ?
C22 C7 C6 121.2(5) . . ?
C22 C7 C8 118.9(6) . . ?
C6 C7 C8 111.2(5) . . ?
C25 C8 C9 122.6(5) . . ?
C25 C8 C7 119.2(6) . . ?
C9 C8 C7 105.2(5) . . ?
C25 C8 C93 64.4(11) . . ?
C9 C8 C93 121.1(9) . . ?
C7 C8 C93 120.8(8) . . ?
C10 C9 C8 119.4(6) . . ?
C10 C9 C1 123.9(5) . . ?
C8 C9 C1 111.2(4) . . ?
C9 C10 C27 118.9(5) . . ?
C9 C10 C11 121.9(5) . . ?
C27 C10 C11 113.4(4) . . ?
C12 C11 C10 111.8(4) . . ?
C12 C11 C29 116.9(4) . . ?
C10 C11 C29 102.3(4) . . ?
C12 C11 C29 115.1(5) . 3_665 ?
C10 C11 C29 117.7(4) . 3_665 ?
C29 C11 C29 90.8(4) . 3_665 ?
C13 C12 C2 117.8(4) . . ?
C13 C12 C11 116.8(4) . . ?
C2 C12 C11 123.7(4) . . ?
C12 C13 C14 122.9(4) . . ?
C12 C13 C31 121.2(5) . . ?
C14 C13 C31 108.5(4) . . ?
C15 C14 C13 118.0(5) . . ?
C15 C14 C33 123.5(4) . . ?
C13 C14 C33 109.0(4) . . ?
C14 C15 C3 119.9(5) . . ?
C14 C15 C16 120.6(5) . . ?
C3 C15 C16 110.2(4) . . ?
C35 C16 C17 121.0(5) . . ?
C35 C16 C15 120.9(4) . . ?
C17 C16 C15 107.1(5) . . ?
C18 C17 C16 120.6(5) . . ?
C18 C17 C4 121.7(5) . . ?
C16 C17 C4 111.2(4) . . ?
C17 C18 C37 119.0(5) . . ?
C17 C18 C19 124.6(5) . . ?
C37 C18 C19 109.5(5) . . ?
C20 C19 C18 111.5(4) . . ?
C20 C19 C39 107.3(4) . . ?
C18 C19 C39 102.0(4) . . ?
C20 C19 C73 113.3(4) . . ?
C18 C19 C73 108.2(4) . . ?
C39 C19 C73 114.0(4) . . ?
C21 C20 C5 120.1(4) . . ?
C21 C20 C19 117.8(5) . . ?
C5 C20 C19 120.3(5) . . ?
C20 C21 C22 121.3(5) . . ?
C20 C21 C41 126.5(5) . . ?
C22 C21 C41 107.5(5) . . ?
C7 C22 C21 117.7(6) . . ?
C7 C22 C23 121.6(5) . . ?
C21 C22 C23 111.1(5) . . ?
C24 C23 C42 121.8(6) . . ?
C24 C23 C22 119.5(5) . . ?
C42 C23 C22 106.9(5) . . ?
C23 C24 C45 118.7(6) . . ?
C23 C24 C25 119.8(6) . . ?
C45 C24 C25 110.0(5) . . ?
C8 C25 C24 120.9(5) . . ?
C8 C25 C26 117.3(6) . . ?
C24 C25 C26 107.8(6) . . ?
C8 C25 C93 64.3(10) . . ?
C24 C25 C93 120.9(9) . . ?
C26 C25 C93 120.5(8) . . ?
C27 C26 C25 118.7(6) . . ?
C27 C26 C46 124.2(5) . . ?
C25 C26 C46 106.5(5) . . ?
C26 C27 C10 123.0(5) . . ?
C26 C27 C28 120.7(6) . . ?
C10 C27 C28 107.8(5) . . ?
C48 C28 C27 118.8(5) . . ?
C48 C28 C29 125.2(5) . . ?
C27 C28 C29 110.8(5) . . ?
C30 C29 C28 110.1(4) . . ?
C30 C29 C11 115.8(4) . . ?
C28 C29 C11 104.8(4) . . ?
C30 C29 C11 116.5(4) . 3_665 ?
C28 C29 C11 118.4(4) . 3_665 ?
C11 C29 C11 89.2(4) . 3_665 ?
C31 C30 C50 119.8(4) . . ?
C31 C30 C29 115.8(4) . . ?
C50 C30 C29 122.8(5) . . ?
C30 C31 C32 122.4(5) . . ?
C30 C31 C13 123.2(4) . . ?
C32 C31 C13 106.8(4) . . ?
C52 C32 C31 117.4(5) . . ?
C52 C32 C33 124.2(4) . . ?
C31 C32 C33 109.8(4) . . ?
C14 C33 C32 104.6(4) . . ?
C14 C33 C79 127.0(5) . . ?
C32 C33 C79 125.7(4) . . ?
C14 C33 C34 116.0(4) . . ?
C32 C33 C34 116.5(4) . . ?
C79 C33 C34 57.9(3) . . ?
C35 C34 C54 105.1(5) . . ?
C35 C34 C79 127.2(5) . . ?
C54 C34 C79 125.4(5) . . ?
C35 C34 C33 115.4(4) . . ?
C54 C34 C33 114.1(4) . . ?
C79 C34 C33 59.8(4) . . ?
C16 C35 C36 117.9(5) . . ?
C16 C35 C34 123.2(4) . . ?
C36 C35 C34 107.6(5) . . ?
C37 C36 C35 120.9(5) . . ?
C37 C36 C55 118.4(5) . . ?
C35 C36 C55 109.7(4) . . ?
C36 C37 C18 120.2(5) . . ?
C36 C37 C38 121.4(5) . . ?
C18 C37 C38 107.7(5) . . ?
C57 C38 C39 118.3(5) . . ?
C57 C38 C37 120.0(5) . . ?
C39 C38 C37 112.0(5) . . ?
C40 C39 C38 121.7(5) . . ?
C40 C39 C19 126.9(4) . . ?
C38 C39 C19 106.2(5) . . ?
C39 C40 C59 120.1(5) . . ?
C39 C40 C41 117.0(5) . . ?
C59 C40 C41 120.9(5) . . ?
C40 C41 C74 112.6(4) . . ?
C40 C41 C21 108.2(5) . . ?
C74 C41 C21 112.7(5) . . ?
C40 C41 C42 112.0(4) . . ?
C74 C41 C42 109.5(5) . . ?
C21 C41 C42 101.4(4) . . ?
C43 C42 C23 119.2(5) . . ?
C43 C42 C41 124.1(5) . . ?
C23 C42 C41 110.2(5) . . ?
C42 C43 C44 119.4(6) . . ?
C42 C43 C60 122.5(6) . . ?
C44 C43 C60 111.0(5) . . ?
C45 C44 C43 121.6(6) . . ?
C45 C44 C62 120.7(5) . . ?
C43 C44 C62 106.3(5) . . ?
C44 C45 C24 119.0(6) . . ?
C44 C45 C46 123.4(6) . . ?
C24 C45 C46 105.9(6) . . ?
C26 C46 C45 108.8(6) . . ?
C26 C46 C47 113.7(5) . . ?
C45 C46 C47 115.9(6) . . ?
C26 C46 C86 124.9(6) . . ?
C45 C46 C86 122.8(7) . . ?
C47 C46 C86 60.7(5) . . ?
C48 C47 C63 107.7(5) . . ?
C48 C47 C46 117.2(6) . . ?
C63 C47 C46 116.0(5) . . ?
C48 C47 C86 124.1(6) . . ?
C63 C47 C86 123.6(6) . . ?
C46 C47 C86 60.0(5) . . ?
C28 C48 C47 125.3(5) . . ?
C28 C48 C49 122.3(5) . . ?
C47 C48 C49 107.5(5) . . ?
C50 C49 C48 111.1(4) . . ?
C50 C49 C64 110.8(4) . . ?
C48 C49 C64 100.5(4) . . ?
C50 C49 C75 115.2(5) . . ?
C48 C49 C75 106.7(5) . . ?
C64 C49 C75 111.6(5) . . ?
C51 C50 C30 117.8(5) . . ?
C51 C50 C49 117.0(5) . . ?
C30 C50 C49 122.6(4) . . ?
C50 C51 C52 121.1(5) . . ?
C50 C51 C66 124.4(5) . . ?
C52 C51 C66 109.6(4) . . ?
C32 C52 C51 120.9(4) . . ?
C32 C52 C53 119.7(5) . . ?
C51 C52 C53 109.8(5) . . ?
C54 C53 C67 122.4(5) . . ?
C54 C53 C52 120.4(5) . . ?
C67 C53 C52 106.7(5) . . ?
C53 C54 C55 117.7(5) . . ?
C53 C54 C34 124.5(4) . . ?
C55 C54 C34 108.2(5) . . ?
C56 C55 C54 119.7(5) . . ?
C56 C55 C36 120.6(5) . . ?
C54 C55 C36 108.4(5) . . ?
C55 C56 C68 122.1(5) . . ?
C55 C56 C57 121.0(5) . . ?
C68 C56 C57 106.7(5) . . ?
C38 C57 C58 121.2(5) . . ?
C38 C57 C56 118.7(5) . . ?
C58 C57 C56 111.2(5) . . ?
C59 C58 C57 120.6(5) . . ?
C59 C58 C69 125.0(5) . . ?
C57 C58 C69 108.9(5) . . ?
C58 C59 C40 118.2(5) . . ?
C58 C59 C60 117.1(5) . . ?
C40 C59 C60 122.7(5) . . ?
C43 C60 C59 112.1(5) . . ?
C43 C60 C61 100.9(5) . . ?
C59 C60 C61 109.0(5) . . ?
C43 C60 C76 109.8(5) . . ?
C59 C60 C76 113.2(5) . . ?
C61 C60 C76 111.2(5) . . ?
C70 C61 C62 121.4(5) . . ?
C70 C61 C60 125.5(5) . . ?
C62 C61 C60 108.0(5) . . ?
C63 C62 C61 119.1(6) . . ?
C63 C62 C44 120.7(6) . . ?
C61 C62 C44 111.1(5) . . ?
C62 C63 C64 120.2(6) . . ?
C62 C63 C47 123.1(6) . . ?
C64 C63 C47 109.1(5) . . ?
C63 C64 C65 121.7(5) . . ?
C63 C64 C49 109.6(5) . . ?
C65 C64 C49 124.1(6) . . ?
C64 C65 C70 118.7(5) . . ?
C64 C65 C66 117.3(5) . . ?
C70 C65 C66 122.3(5) . . ?
C67 C66 C65 111.9(4) . . ?
C67 C66 C51 99.6(4) . . ?
C65 C66 C51 110.2(4) . . ?
C67 C66 C77 110.1(5) . . ?
C65 C66 C77 111.4(5) . . ?
C51 C66 C77 113.0(4) . . ?
C68 C67 C53 120.0(5) . . ?
C68 C67 C66 122.0(5) . . ?
C53 C67 C66 111.8(4) . . ?
C67 C68 C56 117.9(5) . . ?
C67 C68 C69 124.1(5) . . ?
C56 C68 C69 111.5(4) . . ?
C78 C69 C70 112.7(5) . . ?
C78 C69 C68 111.4(5) . . ?
C70 C69 C68 111.1(4) . . ?
C78 C69 C58 112.9(4) . . ?
C70 C69 C58 108.8(4) . . ?
C68 C69 C58 99.3(4) . . ?
C61 C70 C65 119.0(5) . . ?
C61 C70 C69 117.8(5) . . ?
C65 C70 C69 121.7(5) . . ?
F3 C71 F1 109.9(5) . . ?
F3 C71 F2 105.9(5) . . ?
F1 C71 F2 108.3(5) . . ?
F3 C71 C1 109.2(5) . . ?
F1 C71 C1 114.7(5) . . ?
F2 C71 C1 108.5(5) . . ?
F5 C72 F4 107.4(5) . . ?
F5 C72 F6 109.1(6) . . ?
F4 C72 F6 106.0(6) . . ?
F5 C72 C4 112.2(5) . . ?
F4 C72 C4 109.9(5) . . ?
F6 C72 C4 112.0(5) . . ?
F11 C74 F12 107.8(6) . . ?
F11 C74 F10 106.4(5) . . ?
F12 C74 F10 108.7(5) . . ?
F11 C74 C41 111.3(5) . . ?
F12 C74 C41 112.1(5) . . ?
F10 C74 C41 110.3(5) . . ?
F14 C75 F13 108.5(5) . . ?
F14 C75 F15 105.5(6) . . ?
F13 C75 F15 109.6(5) . . ?
F14 C75 C49 111.0(5) . . ?
F13 C75 C49 111.6(5) . . ?
F15 C75 C49 110.4(5) . . ?
F17 C76 F16 106.1(6) . . ?
F17 C76 F18 108.7(7) . . ?
F16 C76 F18 106.6(7) . . ?
F17 C76 C60 111.8(7) . . ?
F16 C76 C60 110.5(6) . . ?
F18 C76 C60 112.8(6) . . ?
F19 C77 F20 108.0(6) . . ?
F19 C77 F21 106.7(5) . . ?
F20 C77 F21 107.9(5) . . ?
F19 C77 C66 110.6(4) . . ?
F20 C77 C66 110.4(5) . . ?
F21 C77 C66 113.0(5) . . ?
F23 C78 F22 107.4(6) . . ?
F23 C78 F24 105.9(6) . . ?
F22 C78 F24 106.5(6) . . ?
F23 C78 C69 112.5(5) . . ?
F22 C78 C69 110.9(5) . . ?
F24 C78 C69 113.3(6) . . ?
C83 C79 C34 119.7(5) . . ?
C83 C79 C80 114.5(5) . . ?
C34 C79 C80 116.9(5) . . ?
C83 C79 C33 118.3(5) . . ?
C34 C79 C33 62.2(3) . . ?
C80 C79 C33 115.4(5) . . ?
O1 C80 O2 127.1(7) . . ?
O1 C80 C79 120.8(6) . . ?
O2 C80 C79 112.0(5) . . ?
O2 C81 C82 109.6(7) . . ?
O3 C83 O4 124.4(7) . . ?
O3 C83 C79 124.8(6) . . ?
O4 C83 C79 110.9(6) . . ?
C85A C84 C85 138(7) . . ?
C85A C84 O4 102(3) . . ?
C85 C84 O4 92(6) . . ?
C90 C86 C87 113.7(9) . . ?
C90 C86 C46 118.9(8) . . ?
C87 C86 C46 117.3(9) . . ?
C90 C86 C47 123.3(10) . . ?
C87 C86 C47 114.0(8) . . ?
C46 C86 C47 59.3(4) . . ?
O5 C87 O6 125.5(10) . . ?
O5 C87 C86 126.8(9) . . ?
O6 C87 C86 107.7(11) . . ?
O6 C88 C89 109.1(11) . . ?
O8 C90 O7 127.2(16) . . ?
O8 C90 C86 122.2(13) . . ?
O7 C90 C86 110.1(15) . . ?
O8 C91 C92 100(4) . . ?
C94 C93 C97 114.1(19) . . ?
C94 C93 C25 121.6(17) . . ?
C97 C93 C25 115(2) . . ?
C94 C93 C8 113.5(17) . . ?
C97 C93 C8 127.6(19) . . ?
C25 C93 C8 51.2(7) . . ?
O9 C94 O10 118(2) . . ?
O9 C94 O15 75(2) . . ?
O10 C94 O15 92(2) . . ?
O9 C94 C93 122(3) . . ?
O10 C94 C93 120(3) . . ?
O15 C94 C93 99(2) . . ?
O10 C95 C96 105(2) . . ?
O11 C97 O12 134(3) . . ?
O11 C97 O16 96(3) . . ?
O12 C97 O16 69(3) . . ?
O11 C97 C93 111(3) . . ?
O12 C97 C93 114(3) . . ?
O16 C97 C93 98(2) . . ?
C99 C98 O11 99(4) . . ?
C80 O2 C81 115.2(6) . . ?
C83 O4 C84 116.1(7) . . ?
C87 O6 C88 114.6(10) . . ?
C90 O8 C91 136(2) . . ?
C94 O9 O15 56.6(17) . . ?
C94 O10 C95 130(2) . . ?
C97 O11 C98 99(2) . . ?
C97 O12 O16 63(2) . . ?
C94 O15 O9 48.2(16) . . ?
C97 O16 O12 47.4(19) . . ?
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 1.328(8) . ?
F2 C71 1.351(6) . ?
F3 C71 1.334(7) . ?
F4 C72 1.307(6) . ?
F5 C72 1.305(7) . ?
F6 C72 1.331(8) . ?
C73 F9A 1.294(9) . ?
C73 F8 1.294(7) . ?
C73 F7A 1.327(8) . ?
C73 F7 1.328(6) . ?
C73 F8A 1.354(9) . ?
C73 F9 1.359(8) . ?
C73 C19 1.575(6) . ?
F7 F8A 1.06(3) . ?
F7 F9A 1.48(3) . ?
F8 F9A 0.97(3) . ?
F8 F7A 1.42(2) . ?
F9 F7A 1.12(2) . ?
F9 F8A 1.34(3) . ?
F10 C74 1.349(8) . ?
F11 C74 1.317(7) . ?
F12 C74 1.317(8) . ?
F13 C75 1.348(8) . ?
F14 C75 1.315(8) . ?
F15 C75 1.373(8) . ?
F16 C76 1.315(8) . ?
F17 C76 1.299(9) . ?
F18 C76 1.317(9) . ?
F19 C77 1.315(7) . ?
F20 C77 1.321(8) . ?
F21 C77 1.323(8) . ?
F22 C78 1.323(7) . ?
F23 C78 1.294(7) . ?
F24 C78 1.317(9) . ?
C1 C9 1.525(8) . ?
C1 C2 1.528(8) . ?
C1 C6 1.551(7) . ?
C1 C71 1.563(7) . ?
C2 C3 1.397(7) . ?
C2 C12 1.427(6) . ?
C3 C15 1.406(8) . ?
C3 C4 1.557(6) . ?
C4 C5 1.519(8) . ?
C4 C17 1.530(7) . ?
C4 C72 1.571(7) . ?
C5 C6 1.392(7) . ?
C5 C20 1.451(7) . ?
C6 C7 1.396(8) . ?
C7 C22 1.400(8) . ?
C7 C8 1.474(7) . ?
C8 C25 1.431(10) . ?
C8 C9 1.430(9) . ?
C8 C93 1.65(2) . ?
C9 C10 1.377(7) . ?
C10 C27 1.456(8) . ?
C10 C11 1.518(8) . ?
C11 C12 1.506(7) . ?
C11 C29 1.638(7) . ?
C11 C29 1.652(7) 3_665 ?
C12 C13 1.391(7) . ?
C13 C14 1.414(7) . ?
C13 C31 1.485(7) . ?
C14 C15 1.393(7) . ?
C14 C33 1.467(7) . ?
C15 C16 1.456(7) . ?
C16 C35 1.384(8) . ?
C16 C17 1.418(8) . ?
C17 C18 1.375(8) . ?
C18 C37 1.415(7) . ?
C18 C19 1.544(8) . ?
C19 C20 1.524(7) . ?
C19 C39 1.564(8) . ?
C20 C21 1.402(8) . ?
C21 C22 1.428(7) . ?
C21 C41 1.554(8) . ?
C22 C23 1.475(9) . ?
C23 C24 1.401(8) . ?
C23 C42 1.422(8) . ?
C24 C45 1.440(9) . ?
C24 C25 1.454(9) . ?
C25 C26 1.461(8) . ?
C25 C93 1.66(3) . ?
C26 C27 1.378(8) . ?
C26 C46 1.468(10) . ?
C27 C28 1.459(7) . ?
C28 C48 1.359(8) . ?
C28 C29 1.533(8) . ?
C29 C30 1.506(7) . ?
C29 C11 1.652(7) 3_665 ?
C30 C31 1.408(7) . ?
C30 C50 1.429(7) . ?
C31 C32 1.406(6) . ?
C32 C52 1.401(7) . ?
C32 C33 1.489(7) . ?
C33 C79 1.559(8) . ?
C33 C34 1.596(7) . ?
C34 C35 1.488(7) . ?
C34 C54 1.502(8) . ?
C34 C79 1.528(8) . ?
C35 C36 1.418(8) . ?
C36 C37 1.394(8) . ?
C36 C55 1.452(8) . ?
C37 C38 1.452(8) . ?
C38 C57 1.405(7) . ?
C38 C39 1.420(7) . ?
C39 C40 1.409(8) . ?
C40 C59 1.442(8) . ?
C40 C41 1.524(7) . ?
C41 C74 1.541(7) . ?
C41 C42 1.551(8) . ?
C42 C43 1.379(9) . ?
C43 C44 1.442(8) . ?
C43 C60 1.518(9) . ?
C44 C45 1.378(9) . ?
C44 C62 1.455(9) . ?
C45 C46 1.476(9) . ?
C46 C47 1.572(9) . ?
C46 C86 1.582(12) . ?
C47 C48 1.432(9) . ?
C47 C63 1.479(9) . ?
C47 C86 1.594(11) . ?
C48 C49 1.547(8) . ?
C49 C50 1.533(8) . ?
C49 C64 1.554(8) . ?
C49 C75 1.564(7) . ?
C50 C51 1.408(7) . ?
C51 C52 1.430(8) . ?
C51 C66 1.555(8) . ?
C52 C53 1.469(7) . ?
C53 C54 1.403(8) . ?
C53 C67 1.429(8) . ?
C54 C55 1.412(7) . ?
C55 C56 1.399(8) . ?
C56 C68 1.442(8) . ?
C56 C57 1.443(7) . ?
C57 C58 1.430(8) . ?
C58 C59 1.417(8) . ?
C58 C69 1.568(7) . ?
C59 C60 1.553(9) . ?
C60 C61 1.561(8) . ?
C60 C76 1.573(9) . ?
C61 C70 1.399(9) . ?
C61 C62 1.420(9) . ?
C62 C63 1.384(8) . ?
C63 C64 1.394(9) . ?
C64 C65 1.403(8) . ?
C65 C70 1.423(8) . ?
C65 C66 1.539(9) . ?
C66 C67 1.540(8) . ?
C66 C77 1.561(7) . ?
C67 C68 1.367(7) . ?
C68 C69 1.548(9) . ?
C69 C78 1.533(8) . ?
C69 C70 1.532(8) . ?
C79 C83 1.526(10) . ?
C79 C80 1.536(9) . ?
C80 O1 1.202(8) . ?
C80 O2 1.258(8) . ?
C81 O2 1.461(9) . ?
C81 C82 1.546(14) . ?
C83 O3 1.167(8) . ?
C83 O4 1.308(9) . ?
C84 C85A 1.49(2) . ?
C84 C85 1.51(3) . ?
C84 O4 1.599(16) . ?
C86 C90 1.514(19) . ?
C86 C87 1.530(15) . ?
C87 O5 1.211(14) . ?
C87 O6 1.307(13) . ?
C88 O6 1.438(15) . ?
C88 C89 1.45(2) . ?
C90 O8 1.194(17) . ?
C90 O7 1.201(18) . ?
C91 O8 1.33(5) . ?
C91 C92 1.60(2) . ?
C93 C94 1.56(3) . ?
C93 C97 1.613(19) . ?
C94 O9 1.21(3) . ?
C94 O10 1.25(4) . ?
C94 O15 1.36(4) . ?
C95 O10 1.281(19) . ?
C95 C96 1.62(16) . ?
C97 O11 1.14(4) . ?
C97 O12 1.23(4) . ?
C97 O16 1.49(5) . ?
C98 C99 1.14(8) . ?
C98 O11 1.75(3) . ?
O9 O15 1.57(3) . ?
O12 O16 1.56(4) . ?
