#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:21:59 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179687 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/09/7000968.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_7000968
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            'C89 H7 F40'
_chemical_formula_weight         1835.95
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.3503(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   41.6537(2)
_cell_length_b                   13.43820(10)
_cell_length_c                   24.46250(10)
_cell_measurement_reflns_used    40000
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      34
_cell_measurement_theta_min      5
_cell_volume                     12162.23(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 0.897
_diffrn_measured_fraction_theta_max 0.791
_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  0.0503
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_max       55
_diffrn_reflns_limit_h_min       -54
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            76051
_diffrn_reflns_theta_full        32.60
_diffrn_reflns_theta_max         37.08
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.203
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.005
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             7208
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.408
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       0.0027(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1228
_refine_ls_number_reflns         11920
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0400P)²+25.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1184
_refine_ls_wR_factor_ref         0.1186
_reflns_number_gt                11795
_reflns_number_total             11920
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b817829a.txt
_cod_data_source_block           9p1p13
_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_cell_volume        12162.22(12)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7000968
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 0.48513(4) 0.25229(10) 0.46946(6) 0.0346(3) Uani 1 1 d . . .
F71B F 0.48696(4) 0.41109(10) 0.45681(6) 0.0345(3) Uani 1 1 d . . .
F72A F 0.48222(5) 0.36025(13) 0.55858(6) 0.0503(4) Uani 1 1 d . . .
F72B F 0.43461(5) 0.43698(11) 0.49439(6) 0.0430(4) Uani 1 1 d . . .
F72C F 0.43294(5) 0.27946(12) 0.50687(7) 0.0462(4) Uani 1 1 d . . .
F73A F 0.44671(8) 0.1024(2) 0.45557(17) 0.0335(6) Uani 0.835(3) 1 d P . .
F73B F 0.47210(7) 0.02138(18) 0.40824(12) 0.0365(5) Uani 0.835(3) 1 d P . .
F73C F 0.4009(5) -0.0326(9) 0.3898(7) 0.050(3) Uani 0.165(3) 1 d P . .
F73D F 0.4324(5) 0.0879(14) 0.4500(10) 0.049(4) Uani 0.165(3) 1 d P . .
F74A F 0.41852(6) -0.11239(12) 0.36731(8) 0.0470(5) Uani 0.835(3) 1 d P . .
F74B F 0.38765(7) -0.02429(18) 0.40053(13) 0.0458(6) Uani 0.835(3) 1 d P . .
F74C F 0.43950(5) -0.08603(12) 0.46400(7) 0.0367(5) Uani 0.835(3) 1 d P . .
F74D F 0.4631(3) -0.0650(8) 0.3723(5) 0.062(3) Uani 0.165(3) 1 d P . .
F74E F 0.4675(3) -0.0865(9) 0.4629(6) 0.066(4) Uani 0.165(3) 1 d P . .
F74F F 0.4904(4) 0.0419(9) 0.4431(7) 0.052(3) Uani 0.165(3) 1 d P . .
F75A F 0.27296(4) 0.33247(9) 0.34879(6) 0.0310(3) Uani 1 1 d . . .
F75B F 0.25248(3) 0.46937(10) 0.29689(6) 0.0311(3) Uani 1 1 d . . .
F76A F 0.27856(4) 0.48867(10) 0.41916(6) 0.0358(3) Uani 1 1 d . . .
F76B F 0.30809(4) 0.57315(10) 0.38225(7) 0.0386(3) Uani 1 1 d . . .
F76C F 0.33142(4) 0.43990(11) 0.43448(6) 0.0385(3) Uani 1 1 d . . .
F77A F 0.40796(3) 0.76325(9) 0.21698(6) 0.0298(3) Uani 1 1 d . . .
F77B F 0.44138(3) 0.67401(9) 0.18896(6) 0.0286(3) Uani 1 1 d . . .
F78A F 0.48962(4) 0.64662(11) 0.31036(7) 0.0389(3) Uani 1 1 d . . .
F78B F 0.47784(4) 0.80029(11) 0.28308(7) 0.0420(3) Uani 1 1 d . . .
F78C F 0.45558(4) 0.73186(11) 0.33787(6) 0.0396(3) Uani 1 1 d . . .
F79A F 0.46735(4) 0.06849(10) 0.10995(7) 0.0383(3) Uani 1 1 d . . .
F79B F 0.47924(4) -0.01332(12) 0.19335(6) 0.0446(4) Uani 1 1 d . . .
F80A F 0.46140(4) -0.12798(10) 0.09534(6) 0.0384(3) Uani 1 1 d . . .
F80B F 0.42066(5) -0.13356(11) 0.12596(9) 0.0550(5) Uani 1 1 d . . .
F80C F 0.41087(4) -0.05228(11) 0.04439(6) 0.0418(3) Uani 1 1 d . . .
F81A F 0.24674(3) 0.65255(9) 0.13490(6) 0.0320(3) Uani 1 1 d . . .
F81B F 0.23315(4) 0.57494(10) 0.19977(6) 0.0337(3) Uani 1 1 d . . .
F82A F 0.20982(4) 0.51262(11) 0.04804(6) 0.0370(3) Uani 1 1 d . . .
F82B F 0.17921(3) 0.58777(10) 0.08635(6) 0.0345(3) Uani 1 1 d . . .
F82C F 0.19596(4) 0.43598(11) 0.11179(8) 0.0430(3) Uani 1 1 d . . .
F83A F 0.30471(4) 0.76162(9) 0.17996(5) 0.0279(3) Uani 1 1 d . . .
F83B F 0.36003(3) 0.77792(8) 0.25210(6) 0.0291(3) Uani 1 1 d . . .
F84A F 0.31284(4) 0.85717(9) 0.28217(6) 0.0342(3) Uani 1 1 d . . .
F84B F 0.28308(3) 0.72030(10) 0.26754(6) 0.0321(3) Uani 1 1 d . . .
F84C F 0.33826(4) 0.72897(10) 0.33837(6) 0.0332(3) Uani 1 1 d . . .
F85A F 0.45586(4) 0.23522(10) 0.05771(6) 0.0335(3) Uani 1 1 d . . .
F85B F 0.45148(4) 0.39403(10) 0.06960(6) 0.0317(3) Uani 1 1 d . . .
F86A F 0.38624(4) 0.39550(11) -0.03444(6) 0.0371(3) Uani 1 1 d . . .
F86B F 0.38991(4) 0.23721(11) -0.04406(6) 0.0422(3) Uani 1 1 d . . .
F86C F 0.42976(4) 0.33490(12) -0.04819(6) 0.0391(3) Uani 1 1 d . . .
C1 C 0.43383(6) 0.32966(14) 0.38610(9) 0.0223(4) Uani 1 1 d . . .
C2 C 0.44898(5) 0.28462(14) 0.34536(9) 0.0218(4) Uani 1 1 d . . .
C3 C 0.44508(6) 0.18343(14) 0.33356(9) 0.0229(4) Uani 1 1 d . . .
C4 C 0.41910(6) 0.11470(14) 0.34561(9) 0.0247(4) Uani 1 1 d . . .
C5 C 0.38952(6) 0.17881(14) 0.34921(9) 0.0232(4) Uani 1 1 d . . .
C6 C 0.39854(6) 0.27290(14) 0.37412(9) 0.0219(4) Uani 1 1 d . . .
C7 C 0.37112(6) 0.34427(14) 0.36580(9) 0.0214(4) Uani 1 1 d . . .
C8 C 0.38391(5) 0.44356(14) 0.36157(8) 0.0203(4) Uani 1 1 d . . .
C9 C 0.41870(5) 0.43468(14) 0.36585(8) 0.0207(4) Uani 1 1 d . . .
C10 C 0.42770(5) 0.49388(14) 0.32901(9) 0.0204(4) Uani 1 1 d . . .
C11 C 0.44633(5) 0.44980(14) 0.29686(9) 0.0207(4) Uani 1 1 d . . .
C12 C 0.45775(5) 0.34847(14) 0.30651(9) 0.0210(4) Uani 1 1 d . . .
C13 C 0.46269(5) 0.30521(14) 0.25846(9) 0.0218(4) Uani 1 1 d . . .
C14 C 0.46017(5) 0.20052(14) 0.24863(9) 0.0221(4) Uani 1 1 d . . .
C15 C 0.45087(6) 0.14168(14) 0.28506(9) 0.0232(4) Uani 1 1 d . . .
C16 C 0.42636(6) 0.05790(14) 0.25700(9) 0.0239(4) Uani 1 1 d . . .
C17 C 0.40429(6) 0.05052(14) 0.28711(9) 0.0245(4) Uani 1 1 d . . .
C18 C 0.36820(6) 0.02799(14) 0.25386(9) 0.0250(4) Uani 1 1 d . . .
C19 C 0.34094(6) 0.08115(14) 0.26481(10) 0.0247(4) Uani 1 1 d . . .
C20 C 0.35172(6) 0.15468(14) 0.31194(9) 0.0238(4) Uani 1 1 d . . .
C21 C 0.32536(6) 0.22830(14) 0.30335(9) 0.0223(4) Uani 1 1 d . . .
C22 C 0.33521(6) 0.32126(14) 0.33363(9) 0.0216(4) Uani 1 1 d . . .
C23 C 0.30556(5) 0.39906(14) 0.29987(9) 0.0215(4) Uani 1 1 d . . .
C24 C 0.32153(5) 0.49165(13) 0.28609(9) 0.0201(4) Uani 1 1 d . . .
C25 C 0.36005(5) 0.51439(13) 0.32285(9) 0.0196(4) Uani 1 1 d . . .
C26 C 0.37050(5) 0.58029(13) 0.28910(9) 0.0196(4) Uani 1 1 d . . .
C27 C 0.40433(5) 0.57078(13) 0.29183(9) 0.0199(4) Uani 1 1 d . . .
C28 C 0.41135(5) 0.58788(13) 0.23598(9) 0.0202(4) Uani 1 1 d . . .
C29 C 0.43472(5) 0.49670(14) 0.24016(9) 0.0210(4) Uani 1 1 d . . .
C30 C 0.43201(5) 0.44381(14) 0.18768(9) 0.0208(4) Uani 1 1 d . . .
C31 C 0.44926(5) 0.35161(14) 0.19939(9) 0.0214(4) Uani 1 1 d . . .
C32 C 0.43867(5) 0.27199(14) 0.15383(9) 0.0216(4) Uani 1 1 d . . .
C33 C 0.44562(5) 0.18229(14) 0.18259(9) 0.0221(4) Uani 1 1 d . . .
C34 C 0.42667(6) 0.08570(14) 0.15265(9) 0.0235(4) Uani 1 1 d . . .
C35 C 0.41267(6) 0.03633(14) 0.19466(9) 0.0235(4) Uani 1 1 d . . .
C36 C 0.37526(6) 0.01430(14) 0.16018(9) 0.0244(4) Uani 1 1 d . . .
C37 C 0.35328(6) 0.00829(14) 0.18930(10) 0.0254(4) Uani 1 1 d . . .
C38 C 0.31711(6) 0.04974(14) 0.16026(10) 0.0251(4) Uani 1 1 d . . .
C39 C 0.31007(6) 0.09413(14) 0.20800(10) 0.0248(4) Uani 1 1 d . . .
C40 C 0.28740(5) 0.18018(14) 0.19499(10) 0.0240(4) Uani 1 1 d . . .
C41 C 0.29362(6) 0.24101(14) 0.24581(10) 0.0236(4) Uani 1 1 d . . .
C42 C 0.28314(5) 0.34387(14) 0.23907(9) 0.0221(4) Uani 1 1 d . . .
C43 C 0.27047(5) 0.38864(14) 0.18344(9) 0.0214(4) Uani 1 1 d . . .
C44 C 0.27587(5) 0.49914(14) 0.17367(9) 0.0210(4) Uani 1 1 d . . .
C45 C 0.30758(5) 0.54051(13) 0.23184(9) 0.0199(4) Uani 1 1 d . . .
C46 C 0.33651(5) 0.61458(13) 0.23172(9) 0.0201(4) Uani 1 1 d . . .
C47 C 0.34264(5) 0.59205(13) 0.17674(9) 0.0199(4) Uani 1 1 d . . .
C48 C 0.37571(5) 0.57860(13) 0.17909(9) 0.0206(4) Uani 1 1 d . . .
C49 C 0.37202(5) 0.51963(13) 0.12643(9) 0.0207(4) Uani 1 1 d . . .
C50 C 0.39950(5) 0.45748(14) 0.12767(9) 0.0209(4) Uani 1 1 d . . .
C51 C 0.38810(5) 0.37878(14) 0.08452(9) 0.0208(4) Uani 1 1 d . . .
C52 C 0.41193(5) 0.28952(14) 0.08755(9) 0.0217(4) Uani 1 1 d . . .
C53 C 0.38434(5) 0.20333(14) 0.06718(9) 0.0220(4) Uani 1 1 d . . .
C54 C 0.39081(6) 0.11272(14) 0.09634(9) 0.0228(4) Uani 1 1 d . . .
C55 C 0.36163(6) 0.06111(14) 0.10000(9) 0.0235(4) Uani 1 1 d . . .
C56 C 0.32659(6) 0.09948(14) 0.07241(9) 0.0234(4) Uani 1 1 d . . .
C57 C 0.30410(6) 0.09382(14) 0.10327(10) 0.0243(4) Uani 1 1 d . . .
C58 C 0.28330(5) 0.18537(14) 0.09084(9) 0.0231(4) Uani 1 1 d . . .
C59 C 0.27381(5) 0.22705(14) 0.13500(10) 0.0237(4) Uani 1 1 d . . .
C60 C 0.26770(5) 0.33122(14) 0.13132(9) 0.0222(4) Uani 1 1 d . . .
C61 C 0.27762(5) 0.39254(14) 0.09423(9) 0.0214(4) Uani 1 1 d . . .
C62 C 0.28744(5) 0.48878(14) 0.12283(9) 0.0204(4) Uani 1 1 d . . .
C63 C 0.31618(5) 0.53796(13) 0.12329(9) 0.0205(4) Uani 1 1 d . . .
C64 C 0.33491(5) 0.49537(14) 0.09167(9) 0.0207(4) Uani 1 1 d . . .
C65 C 0.32390(5) 0.40606(14) 0.05843(9) 0.0211(4) Uani 1 1 d . . .
C66 C 0.35139(5) 0.35185(14) 0.05208(8) 0.0211(4) Uani 1 1 d . . .
C67 C 0.34868(5) 0.24547(14) 0.04153(8) 0.0213(4) Uani 1 1 d . . .
C68 C 0.32002(5) 0.19395(14) 0.04232(9) 0.0222(4) Uani 1 1 d . . .
C69 C 0.29326(5) 0.24683(14) 0.05382(9) 0.0226(4) Uani 1 1 d . . .
C70 C 0.29402(5) 0.35193(14) 0.05947(9) 0.0214(4) Uani 1 1 d . . .
C71 C 0.46467(6) 0.33519(15) 0.45366(9) 0.0268(4) Uani 1 1 d . . .
C72 C 0.45350(7) 0.35348(17) 0.50475(10) 0.0325(5) Uani 1 1 d . . .
C73 C 0.44008(11) 0.0506(3) 0.4044(2) 0.0237(8) Uani 0.835(3) 1 d P . .
C73A C 0.4283(7) 0.0311(18) 0.4021(13) 0.034(5) Uani 0.165(3) 1 d P . .
C74 C 0.42105(11) -0.0453(2) 0.40866(16) 0.0295(7) Uani 0.835(3) 1 d P . .
C74A C 0.4633(6) -0.0183(17) 0.4186(8) 0.044(5) Uani 0.165(3) 1 d P . .
C75 C 0.28300(6) 0.42003(14) 0.33433(10) 0.0239(4) Uani 1 1 d . . .
C76 C 0.30085(6) 0.48175(16) 0.39378(10) 0.0284(4) Uani 1 1 d . . .
C77 C 0.43085(6) 0.68521(14) 0.23356(9) 0.0230(4) Uani 1 1 d . . .
C78 C 0.46420(6) 0.71660(16) 0.29262(10) 0.0295(4) Uani 1 1 d . . .
C79 C 0.45223(6) 0.01719(15) 0.13945(9) 0.0266(4) Uani 1 1 d . . .
C80 C 0.43580(6) -0.07621(16) 0.10051(10) 0.0294(4) Uani 1 1 d . . .
C81 C 0.24091(6) 0.56216(15) 0.15238(9) 0.0236(4) Uani 1 1 d . . .
C82 C 0.20583(6) 0.52299(16) 0.09872(10) 0.0270(4) Uani 1 1 d . . .
C83 C 0.32883(5) 0.72673(14) 0.23546(9) 0.0221(4) Uani 1 1 d . . .
C84 C 0.31547(6) 0.75852(14) 0.28196(10) 0.0255(4) Uani 1 1 d . . .
C85 C 0.43219(6) 0.30864(15) 0.04905(9) 0.0253(4) Uani 1 1 d . . .
C86 C 0.40900(6) 0.31931(17) -0.02083(10) 0.0295(4) Uani 1 1 d . . .
C87 C 0.26814(10) 0.7755(2) 0.02009(12) 0.0530(8) Uani 1 1 d . . .
H87A H 0.2656 0.8476 0.0108 0.064 Uiso 1 1 calc R . .
H87B H 0.2739 0.7673 0.0638 0.064 Uiso 1 1 calc R . .
C88 C 0.29917(10) 0.7361(2) 0.01129(14) 0.0544(7) Uani 1 1 d . . .
H88A H 0.2940 0.7469 -0.0320 0.065 Uiso 1 1 calc R . .
H88B H 0.3012 0.6635 0.0190 0.065 Uiso 1 1 calc R . .
C89 C 0.33510(11) 0.7849(3) 0.05334(16) 0.0676(9) Uani 1 1 d . . .
H89A H 0.3338 0.8563 0.0444 0.101 Uiso 1 1 calc R . .
H89B H 0.3543 0.7547 0.0464 0.101 Uiso 1 1 calc R . .
H89C H 0.3404 0.7750 0.0963 0.101 Uiso 1 1 calc R . .
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'
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
F73D F73A C73 82(2) . . ?
F73D F73A C73A 62(2) . . ?
C73 F73A C73A 20.5(8) . . ?
C74A F73B F74F 103.5(16) . . ?
C74A F73B C73 67.3(12) . . ?
F74F F73B C73 111.3(8) . . ?
C74A F73B F74D 66.0(14) . . ?
F74F F73B F74D 136.4(9) . . ?
C73 F73B F74D 103.2(6) . . ?
C74A F73B C73A 55.9(15) . . ?
F74F F73B C73A 117.3(11) . . ?
C73 F73B C73A 12.7(9) . . ?
F74D F73B C73A 92.4(10) . . ?
F74B F73C C74 129(2) . . ?
F74B F73C C73A 122(2) . . ?
C74 F73C C73A 54.9(15) . . ?
F74B F73C F74A 144.2(15) . . ?
C74 F73C F74A 59.3(11) . . ?
C73A F73C F74A 91.5(15) . . ?
F74B F73C C73 125.8(15) . . ?
C74 F73C C73 53.2(9) . . ?
C73A F73C C73 3.5(13) . . ?
F74A F73C C73 88.0(9) . . ?
F73A F73D C73A 96(3) . . ?
F73A F73D C73 74(2) . . ?
C73A F73D C73 22.5(9) . . ?
C74 F74A F73C 30.0(6) . . ?
F73C F74B C74 26.6(13) . . ?
F73C F74B C73A 38.4(14) . . ?
C74 F74B C73A 36.6(9) . . ?
F74E F74C C74 95.4(6) . . ?
C74A F74D F73B 32.2(13) . . ?
F74C F74E C74A 104.4(12) . . ?
F74C F74E C74 45.4(4) . . ?
C74A F74E C74 61.6(10) . . ?
F73B F74F C74A 34.5(11) . . ?
F73B F74F C73 42.4(6) . . ?
C74A F74F C73 42.7(8) . . ?
C2 C1 C9 112.68(15) . . ?
C2 C1 C6 108.65(16) . . ?
C9 C1 C6 100.24(15) . . ?
C2 C1 C71 108.88(16) . . ?
C9 C1 C71 108.34(16) . . ?
C6 C1 C71 117.93(16) . . ?
C3 C2 C12 119.12(17) . . ?
C3 C2 C1 118.75(17) . . ?
C12 C2 C1 119.89(16) . . ?
C2 C3 C15 120.68(18) . . ?
C2 C3 C4 124.81(17) . . ?
C15 C3 C4 108.82(17) . . ?
C17 C4 C5 112.22(17) . . ?
C17 C4 C3 100.02(15) . . ?
C5 C4 C3 108.94(15) . . ?
C17 C4 C73 111.4(2) . . ?
C5 C4 C73 112.4(2) . . ?
C3 C4 C73 111.1(2) . . ?
C17 C4 C73A 103.5(9) . . ?
C5 C4 C73A 102.3(10) . . ?
C3 C4 C73A 129.6(9) . . ?
C73 C4 C73A 18.5(8) . . ?
C6 C5 C20 118.71(18) . . ?
C6 C5 C4 118.42(19) . . ?
C20 C5 C4 120.42(17) . . ?
C5 C6 C7 120.89(19) . . ?
C5 C6 C1 125.00(17) . . ?
C7 C6 C1 108.69(16) . . ?
C22 C7 C6 121.35(18) . . ?
C22 C7 C8 120.31(17) . . ?
C6 C7 C8 109.22(17) . . ?
C25 C8 C9 119.88(17) . . ?
C25 C8 C7 120.39(17) . . ?
C9 C8 C7 108.30(16) . . ?
C10 C9 C8 118.84(17) . . ?
C10 C9 C1 123.27(17) . . ?
C8 C9 C1 110.98(16) . . ?
C9 C10 C27 121.69(17) . . ?
C9 C10 C11 119.34(17) . . ?
C27 C10 C11 109.07(16) . . ?
C29 C11 C12 122.29(17) . . ?
C29 C11 C10 109.00(17) . . ?
C12 C11 C10 121.17(17) . . ?
C13 C12 C11 114.92(17) . . ?
C13 C12 C2 118.77(17) . . ?
C11 C12 C2 120.64(16) . . ?
C12 C13 C14 121.42(17) . . ?
C12 C13 C31 121.58(17) . . ?
C14 C13 C31 107.21(16) . . ?
C15 C14 C13 118.71(17) . . ?
C15 C14 C33 121.54(18) . . ?
C13 C14 C33 108.26(17) . . ?
C14 C15 C3 121.19(18) . . ?
C14 C15 C16 118.89(18) . . ?
C3 C15 C16 110.12(17) . . ?
C35 C16 C17 121.11(19) . . ?
C35 C16 C15 121.41(18) . . ?
C17 C16 C15 106.80(17) . . ?
C18 C17 C16 120.05(18) . . ?
C18 C17 C4 122.45(18) . . ?
C16 C17 C4 111.41(18) . . ?
C17 C18 C37 119.73(18) . . ?
C17 C18 C19 120.84(18) . . ?
C37 C18 C19 108.15(18) . . ?
C39 C19 C20 121.28(18) . . ?
C39 C19 C18 108.27(17) . . ?
C20 C19 C18 120.19(19) . . ?
C21 C20 C19 115.38(19) . . ?
C21 C20 C5 118.71(18) . . ?
C19 C20 C5 120.78(18) . . ?
C22 C21 C20 121.31(19) . . ?
C22 C21 C41 108.93(17) . . ?
C20 C21 C41 122.07(18) . . ?
C7 C22 C21 118.60(18) . . ?
C7 C22 C23 123.49(17) . . ?
C21 C22 C23 110.57(17) . . ?
C24 C23 C42 108.30(15) . . ?
C24 C23 C22 110.50(16) . . ?
C42 C23 C22 99.96(15) . . ?
C24 C23 C75 114.10(15) . . ?
C42 C23 C75 111.33(16) . . ?
C22 C23 C75 111.71(15) . . ?
C45 C24 C25 110.92(16) . . ?
C45 C24 C23 125.56(18) . . ?
C25 C24 C23 120.12(17) . . ?
C8 C25 C26 120.93(17) . . ?
C8 C25 C24 120.94(17) . . ?
C26 C25 C24 108.50(16) . . ?
C27 C26 C25 119.66(17) . . ?
C27 C26 C46 124.18(16) . . ?
C25 C26 C46 108.69(16) . . ?
C26 C27 C10 118.63(17) . . ?
C26 C27 C28 123.15(17) . . ?
C10 C27 C28 108.78(15) . . ?
C48 C28 C29 108.74(15) . . ?
C48 C28 C27 107.44(15) . . ?
C29 C28 C27 101.21(15) . . ?
C48 C28 C77 110.22(16) . . ?
C29 C28 C77 110.30(15) . . ?
C27 C28 C77 118.32(15) . . ?
C11 C29 C30 121.25(17) . . ?
C11 C29 C28 110.26(16) . . ?
C30 C29 C28 123.44(18) . . ?
C31 C30 C29 115.96(18) . . ?
C31 C30 C50 117.64(17) . . ?
C29 C30 C50 119.24(17) . . ?
C30 C31 C13 121.35(17) . . ?
C30 C31 C32 123.23(19) . . ?
C13 C31 C32 107.02(16) . . ?
C33 C32 C31 109.71(17) . . ?
C33 C32 C52 124.96(18) . . ?
C31 C32 C52 121.50(17) . . ?
C32 C33 C14 107.77(17) . . ?
C32 C33 C34 124.62(18) . . ?
C14 C33 C34 122.34(17) . . ?
C33 C34 C54 107.77(16) . . ?
C33 C34 C35 108.50(15) . . ?
C54 C34 C35 100.89(16) . . ?
C33 C34 C79 110.68(17) . . ?
C54 C34 C79 115.52(16) . . ?
C35 C34 C79 112.89(16) . . ?
C16 C35 C36 118.65(18) . . ?
C16 C35 C34 123.35(18) . . ?
C36 C35 C34 109.91(17) . . ?
C37 C36 C35 120.40(18) . . ?
C37 C36 C55 119.90(19) . . ?
C35 C36 C55 108.80(17) . . ?
C36 C37 C18 119.87(19) . . ?
C36 C37 C38 120.33(18) . . ?
C18 C37 C38 107.23(17) . . ?
C57 C38 C37 119.91(18) . . ?
C57 C38 C39 120.36(18) . . ?
C37 C38 C39 108.14(18) . . ?
C19 C39 C40 122.01(18) . . ?
C19 C39 C38 108.21(18) . . ?
C40 C39 C38 120.48(19) . . ?
C41 C40 C39 115.91(19) . . ?
C41 C40 C59 117.94(17) . . ?
C39 C40 C59 119.07(18) . . ?
C40 C41 C21 120.71(18) . . ?
C40 C41 C42 122.29(19) . . ?
C21 C41 C42 108.82(17) . . ?
C43 C42 C41 120.04(18) . . ?
C43 C42 C23 122.81(17) . . ?
C41 C42 C23 109.64(17) . . ?
C42 C43 C60 118.99(17) . . ?
C42 C43 C44 124.64(17) . . ?
C60 C43 C44 109.64(16) . . ?
C62 C44 C45 109.15(15) . . ?
C62 C44 C43 99.28(14) . . ?
C45 C44 C43 109.33(16) . . ?
C62 C44 C81 111.92(15) . . ?
C45 C44 C81 112.87(15) . . ?
C43 C44 C81 113.42(15) . . ?
C24 C45 C44 122.30(17) . . ?
C24 C45 C46 109.10(16) . . ?
C44 C45 C46 124.40(16) . . ?
C47 C46 C26 106.94(15) . . ?
C47 C46 C83 111.77(15) . . ?
C26 C46 C83 111.46(15) . . ?
C47 C46 C45 108.64(15) . . ?
C26 C46 C45 101.24(14) . . ?
C83 C46 C45 115.98(15) . . ?
C48 C47 C63 107.71(16) . . ?
C48 C47 C46 124.72(18) . . ?
C63 C47 C46 122.05(16) . . ?
C47 C48 C49 109.88(17) . . ?
C47 C48 C28 125.24(17) . . ?
C49 C48 C28 121.41(17) . . ?
C50 C49 C64 121.92(17) . . ?
C50 C49 C48 123.31(18) . . ?
C64 C49 C48 107.34(16) . . ?
C49 C50 C51 115.95(18) . . ?
C49 C50 C30 117.34(17) . . ?
C51 C50 C30 119.18(17) . . ?
C66 C51 C50 121.23(17) . . ?
C66 C51 C52 109.66(16) . . ?
C50 C51 C52 124.06(18) . . ?
C32 C52 C51 108.42(15) . . ?
C32 C52 C53 107.64(15) . . ?
C51 C52 C53 101.63(15) . . ?
C32 C52 C85 109.93(16) . . ?
C51 C52 C85 111.20(15) . . ?
C53 C52 C85 117.45(15) . . ?
C54 C53 C67 119.51(18) . . ?
C54 C53 C52 123.92(18) . . ?
C67 C53 C52 108.18(16) . . ?
C53 C54 C55 119.37(18) . . ?
C53 C54 C34 123.48(18) . . ?
C55 C54 C34 109.33(17) . . ?
C56 C55 C54 121.20(18) . . ?
C56 C55 C36 118.97(18) . . ?
C54 C55 C36 108.88(18) . . ?
C55 C56 C68 119.19(18) . . ?
C55 C56 C57 120.75(18) . . ?
C68 C56 C57 107.33(17) . . ?
C38 C57 C56 120.13(19) . . ?
C38 C57 C58 119.70(18) . . ?
C56 C57 C58 108.19(17) . . ?
C69 C58 C59 121.23(17) . . ?
C69 C58 C57 107.74(17) . . ?
C59 C58 C57 121.36(18) . . ?
C60 C59 C58 116.38(18) . . ?
C60 C59 C40 117.89(17) . . ?
C58 C59 C40 118.73(18) . . ?
C59 C60 C61 121.11(17) . . ?
C59 C60 C43 122.03(18) . . ?
C61 C60 C43 108.91(16) . . ?
C60 C61 C70 121.34(17) . . ?
C60 C61 C62 108.19(16) . . ?
C70 C61 C62 121.95(17) . . ?
C63 C62 C61 119.51(17) . . ?
C63 C62 C44 123.48(17) . . ?
C61 C62 C44 110.58(16) . . ?
C62 C63 C64 119.45(17) . . ?
C62 C63 C47 123.23(17) . . ?
C64 C63 C47 107.79(16) . . ?
C65 C64 C49 121.35(17) . . ?
C65 C64 C63 122.38(17) . . ?
C49 C64 C63 107.20(16) . . ?
C64 C65 C66 115.81(18) . . ?
C64 C65 C70 118.23(17) . . ?
C66 C65 C70 118.96(17) . . ?
C51 C66 C65 121.74(17) . . ?
C51 C66 C67 109.26(17) . . ?
C65 C66 C67 121.57(18) . . ?
C68 C67 C53 121.38(18) . . ?
C68 C67 C66 119.16(17) . . ?
C53 C67 C66 109.32(17) . . ?
C67 C68 C56 119.19(18) . . ?
C67 C68 C69 119.98(17) . . ?
C56 C68 C69 108.48(17) . . ?
C70 C69 C58 121.13(17) . . ?
C70 C69 C68 121.38(18) . . ?
C58 C69 C68 108.26(17) . . ?
C69 C70 C61 116.43(17) . . ?
C69 C70 C65 118.58(17) . . ?
C61 C70 C65 118.00(17) . . ?
F71A C71 F71B 106.21(17) . . ?
F71A C71 C72 106.63(16) . . ?
F71B C71 C72 106.72(17) . . ?
F71A C71 C1 111.65(16) . . ?
F71B C71 C1 107.74(16) . . ?
C72 C71 C1 117.26(18) . . ?
F72A C72 F72B 108.65(19) . . ?
F72A C72 F72C 108.59(19) . . ?
F72B C72 F72C 107.7(2) . . ?
F72A C72 C71 110.4(2) . . ?
F72B C72 C71 110.72(17) . . ?
F72C C72 C71 110.64(18) . . ?
C73A C73 C74A 103(4) . . ?
C73A C73 F73A 98(3) . . ?
C74A C73 F73A 108.6(9) . . ?
C73A C73 F73B 134(4) . . ?
C74A C73 F73B 33.2(13) . . ?
F73A C73 F73B 108.2(4) . . ?
C73A C73 F73D 74(3) . . ?
C74A C73 F73D 118.3(13) . . ?
F73A C73 F73D 24.5(7) . . ?
F73B C73 F73D 129.4(9) . . ?
C73A C73 C74 29(3) . . ?
C74A C73 C74 73.9(13) . . ?
F73A C73 C74 105.2(3) . . ?
F73B C73 C74 105.9(4) . . ?
F73D C73 C74 86.1(8) . . ?
C73A C73 C4 94(4) . . ?
C74A C73 C4 133.7(10) . . ?
F73A C73 C4 111.2(3) . . ?
F73B C73 C4 110.0(3) . . ?
F73D C73 C4 107.7(10) . . ?
C74 C73 C4 115.9(3) . . ?
C73A C73 F74F 142(4) . . ?
C74A C73 F74F 43.6(12) . . ?
F73A C73 F74F 81.9(5) . . ?
F73B C73 F74F 26.3(4) . . ?
F73D C73 F74F 103.7(9) . . ?
C74 C73 F74F 114.0(5) . . ?
C4 C73 F74F 121.8(4) . . ?
C73A C73 F73C 9(3) . . ?
C74A C73 F73C 96.1(14) . . ?
F73A C73 F73C 105.9(6) . . ?
F73B C73 F73C 125.9(6) . . ?
F73D C73 F73C 82.2(9) . . ?
C74 C73 F73C 23.6(4) . . ?
C4 C73 F73C 94.8(5) . . ?
F74F C73 F73C 137.5(7) . . ?
C73 C73A C74 138(5) . . ?
C73 C73A F73D 84(3) . . ?
C74 C73A F73D 110(2) . . ?
C73 C73A F73C 168(4) . . ?
C74 C73A F73C 34.9(9) . . ?
F73D C73A F73C 108(2) . . ?
C73 C73A C74A 57(3) . . ?
C74 C73A C74A 81(2) . . ?
F73D C73A C74A 108(2) . . ?
F73C C73A C74A 114(2) . . ?
C73 C73A F73A 62(3) . . ?
C74 C73A F73A 122(2) . . ?
F73D C73A F73A 22.5(8) . . ?
F73C C73A F73A 129(2) . . ?
C74A C73A F73A 90.3(16) . . ?
C73 C73A C4 67(3) . . ?
C74 C73A C4 140(2) . . ?
F73D C73A C4 103.1(18) . . ?
F73C C73A C4 113.0(19) . . ?
C74A C73A C4 110.3(17) . . ?
F73A C73A C4 96.9(13) . . ?
C73 C73A F73B 34(3) . . ?
C74 C73A F73B 105(2) . . ?
F73D C73A F73B 104.9(17) . . ?
F73C C73A F73B 135(2) . . ?
C74A C73A F73B 24.9(11) . . ?
F73A C73A F73B 83.1(11) . . ?
C4 C73A F73B 87.5(11) . . ?
C73 C73A F74B 173(4) . . ?
C74 C73A F74B 46.6(9) . . ?
F73D C73A F74B 89.7(15) . . ?
F73C C73A F74B 19.3(8) . . ?
C74A C73A F74B 127.5(19) . . ?
F73A C73A F74B 111.8(15) . . ?
C4 C73A F74B 113.2(16) . . ?
F73B C73A F74B 151.7(16) . . ?
F73C C74 C73A 90.2(18) . . ?
F73C C74 F74A 90.7(12) . . ?
C73A C74 F74A 117.0(14) . . ?
F73C C74 F74C 131.4(13) . . ?
C73A C74 F74C 117.5(14) . . ?
F74A C74 F74C 107.7(2) . . ?
F73C C74 F74B 24.7(13) . . ?
C73A C74 F74B 96.8(15) . . ?
F74A C74 F74B 108.5(3) . . ?
F74C C74 F74B 108.2(2) . . ?
F73C C74 C73 103.2(10) . . ?
C73A C74 C73 13.5(15) . . ?
F74A C74 C73 112.4(3) . . ?
F74C C74 C73 109.8(3) . . ?
F74B C74 C73 110.2(3) . . ?
F73C C74 C74A 144.3(13) . . ?
C73A C74 C74A 59.2(16) . . ?
F74A C74 C74A 88.2(6) . . ?
F74C C74 C74A 82.3(7) . . ?
F74B C74 C74A 155.6(7) . . ?
C73 C74 C74A 45.7(7) . . ?
F73C C74 F74E 170.5(13) . . ?
C73A C74 F74E 96.7(15) . . ?
F74A C74 F74E 91.9(5) . . ?
F74C C74 F74E 39.2(4) . . ?
F74B C74 F74E 146.8(4) . . ?
C73 C74 F74E 84.2(5) . . ?
C74A C74 F74E 45.0(8) . . ?
F73B C74A C73 79.5(16) . . ?
F73B C74A F74F 41.9(15) . . ?
C73 C74A F74F 93.7(17) . . ?
F73B C74A F74D 81.9(19) . . ?
C73 C74A F74D 114.8(14) . . ?
F74F C74A F74D 111(2) . . ?
F73B C74A F74E 147(2) . . ?
C73 C74A F74E 120.5(18) . . ?
F74F C74A F74E 106.7(14) . . ?
F74D C74A F74E 108.5(17) . . ?
F73B C74A C73A 99.2(19) . . ?
C73 C74A C73A 20.7(8) . . ?
F74F C74A C73A 112.8(17) . . ?
F74D C74A C73A 111.8(17) . . ?
F74E C74A C73A 105(2) . . ?
F73B C74A C74 137.1(17) . . ?
C73 C74A C74 60.4(9) . . ?
F74F C74A C74 145.7(13) . . ?
F74D C74A C74 100.5(15) . . ?
F74E C74A C74 73.5(15) . . ?
C73A C74A C74 39.7(10) . . ?
F75A C75 F75B 107.31(16) . . ?
F75A C75 C76 107.22(16) . . ?
F75B C75 C76 105.80(16) . . ?
F75A C75 C23 108.81(15) . . ?
F75B C75 C23 109.71(16) . . ?
C76 C75 C23 117.53(16) . . ?
F76B C76 F76C 108.57(18) . . ?
F76B C76 F76A 107.99(17) . . ?
F76C C76 F76A 108.22(17) . . ?
F76B C76 C75 110.93(17) . . ?
F76C C76 C75 111.18(17) . . ?
F76A C76 C75 109.86(17) . . ?
F77A C77 F77B 106.81(15) . . ?
F77A C77 C78 106.19(16) . . ?
F77B C77 C78 107.46(16) . . ?
F77A C77 C28 110.87(16) . . ?
F77B C77 C28 107.72(15) . . ?
C78 C77 C28 117.30(17) . . ?
F78C C78 F78B 108.49(17) . . ?
F78C C78 F78A 108.46(19) . . ?
F78B C78 F78A 108.38(18) . . ?
F78C C78 C77 110.67(17) . . ?
F78B C78 C77 110.06(18) . . ?
F78A C78 C77 110.71(17) . . ?
F79A C79 F79B 107.16(18) . . ?
F79A C79 C80 105.74(16) . . ?
F79B C79 C80 107.03(17) . . ?
F79A C79 C34 110.07(16) . . ?
F79B C79 C34 108.80(16) . . ?
C80 C79 C34 117.54(18) . . ?
F80B C80 F80C 108.3(2) . . ?
F80B C80 F80A 108.55(18) . . ?
F80C C80 F80A 108.06(17) . . ?
F80B C80 C79 111.02(17) . . ?
F80C C80 C79 111.00(17) . . ?
F80A C80 C79 109.83(19) . . ?
F81A C81 F81B 107.89(16) . . ?
F81A C81 C82 106.06(16) . . ?
F81B C81 C82 105.54(16) . . ?
F81A C81 C44 108.67(15) . . ?
F81B C81 C44 109.81(16) . . ?
C82 C81 C44 118.39(16) . . ?
F82C C82 F82B 108.26(17) . . ?
F82C C82 F82A 108.50(18) . . ?
F82B C82 F82A 107.71(17) . . ?
F82C C82 C81 111.93(18) . . ?
F82B C82 C81 109.59(17) . . ?
F82A C82 C81 110.73(17) . . ?
F83A C83 F83B 107.05(15) . . ?
F83A C83 C84 107.02(16) . . ?
F83B C83 C84 105.04(15) . . ?
F83A C83 C46 110.89(15) . . ?
F83B C83 C46 108.35(15) . . ?
C84 C83 C46 117.88(15) . . ?
F84C C84 F84A 108.37(16) . . ?
F84C C84 F84B 108.30(17) . . ?
F84A C84 F84B 108.10(17) . . ?
F84C C84 C83 110.91(16) . . ?
F84A C84 C83 109.74(16) . . ?
F84B C84 C83 111.33(16) . . ?
F85A C85 F85B 107.24(17) . . ?
F85A C85 C86 106.59(16) . . ?
F85B C85 C86 107.21(17) . . ?
F85A C85 C52 110.39(16) . . ?
F85B C85 C52 108.07(15) . . ?
C86 C85 C52 116.91(17) . . ?
F86B C86 F86A 108.39(19) . . ?
F86B C86 F86C 108.41(17) . . ?
F86A C86 F86C 107.82(17) . . ?
F86B C86 C85 110.26(17) . . ?
F86A C86 C85 111.23(17) . . ?
F86C C86 C85 110.64(18) . . ?
C88 C87 C87 114.3(3) . 7_565 ?
C87 C88 C89 113.3(3) . . ?
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 1.347(2) . ?
F71B C71 1.357(3) . ?
F72A C72 1.314(3) . ?
F72B C72 1.326(3) . ?
F72C C72 1.329(3) . ?
F73A F73D 0.581(17) . ?
F73A C73 1.345(6) . ?
F73A C73A 1.51(2) . ?
F73B C74A 0.75(3) . ?
F73B F74F 0.887(14) . ?
F73B C73 1.352(4) . ?
F73B F74D 1.399(12) . ?
F73B C73A 1.76(3) . ?
F73C F74B 0.718(16) . ?
F73C C74 0.770(15) . ?
F73C C73A 1.35(3) . ?
F73C F74A 1.539(16) . ?
F73C C73 1.874(16) . ?
F73D C73A 1.34(3) . ?
F73D C73 1.39(2) . ?
F74A C74 1.323(4) . ?
F74B C74 1.342(4) . ?
F74B C73A 1.83(2) . ?
F74C F74E 1.178(12) . ?
F74C C74 1.329(4) . ?
F74D C74A 1.29(2) . ?
F74E C74A 1.37(3) . ?
F74E C74 1.857(13) . ?
F74F C74A 1.29(3) . ?
F74F C73 1.867(15) . ?
F75A C75 1.349(2) . ?
F75B C75 1.351(2) . ?
F76A C76 1.337(2) . ?
F76B C76 1.326(3) . ?
F76C C76 1.328(3) . ?
F77A C77 1.348(2) . ?
F77B C77 1.358(2) . ?
F78A C78 1.331(3) . ?
F78B C78 1.328(2) . ?
F78C C78 1.327(2) . ?
F79A C79 1.346(3) . ?
F79B C79 1.345(3) . ?
F80A C80 1.327(2) . ?
F80B C80 1.319(3) . ?
F80C C80 1.325(3) . ?
F81A C81 1.347(2) . ?
F81B C81 1.350(2) . ?
F82A C82 1.332(2) . ?
F82B C82 1.331(2) . ?
F82C C82 1.326(3) . ?
F83A C83 1.349(2) . ?
F83B C83 1.357(2) . ?
F84A C84 1.330(2) . ?
F84B C84 1.331(2) . ?
F84C C84 1.326(2) . ?
F85A C85 1.341(2) . ?
F85B C85 1.358(2) . ?
F86A C86 1.330(3) . ?
F86B C86 1.325(3) . ?
F86C C86 1.331(2) . ?
C1 C2 1.528(3) . ?
C1 C9 1.532(3) . ?
C1 C6 1.559(3) . ?
C1 C71 1.561(3) . ?
C2 C3 1.384(3) . ?
C2 C12 1.446(3) . ?
C3 C15 1.430(3) . ?
C3 C4 1.551(3) . ?
C4 C17 1.537(3) . ?
C4 C5 1.539(3) . ?
C4 C73 1.556(5) . ?
C4 C73A 1.68(3) . ?
C5 C6 1.379(3) . ?
C5 C20 1.448(3) . ?
C6 C7 1.433(3) . ?
C7 C22 1.368(3) . ?
C7 C8 1.458(3) . ?
C8 C25 1.388(3) . ?
C8 C9 1.409(3) . ?
C9 C10 1.377(3) . ?
C10 C27 1.424(3) . ?
C10 C11 1.460(2) . ?
C11 C29 1.392(3) . ?
C11 C12 1.426(3) . ?
C12 C13 1.409(3) . ?
C13 C14 1.423(3) . ?
C13 C31 1.431(3) . ?
C14 C15 1.373(3) . ?
C14 C33 1.462(3) . ?
C15 C16 1.462(3) . ?
C16 C35 1.391(3) . ?
C16 C17 1.421(3) . ?
C17 C18 1.374(3) . ?
C18 C37 1.431(3) . ?
C18 C19 1.467(3) . ?
C19 C39 1.405(3) . ?
C19 C20 1.425(3) . ?
C20 C21 1.420(3) . ?
C21 C22 1.414(3) . ?
C21 C41 1.431(3) . ?
C22 C23 1.537(3) . ?
C23 C24 1.520(3) . ?
C23 C42 1.535(3) . ?
C23 C75 1.550(3) . ?
C24 C45 1.350(3) . ?
C24 C25 1.467(3) . ?
C25 C26 1.409(3) . ?
C26 C27 1.386(3) . ?
C26 C46 1.537(3) . ?
C27 C28 1.540(2) . ?
C28 C48 1.503(3) . ?
C28 C29 1.539(3) . ?
C28 C77 1.555(3) . ?
C29 C30 1.426(3) . ?
C30 C31 1.394(3) . ?
C30 C50 1.482(3) . ?
C31 C32 1.459(3) . ?
C32 C33 1.358(3) . ?
C32 C52 1.505(3) . ?
C33 C34 1.521(3) . ?
C34 C54 1.540(3) . ?
C34 C35 1.545(3) . ?
C34 C79 1.549(3) . ?
C35 C36 1.421(3) . ?
C36 C37 1.397(3) . ?
C36 C55 1.455(3) . ?
C37 C38 1.450(3) . ?
C38 C57 1.376(3) . ?
C38 C39 1.456(3) . ?
C39 C40 1.433(3) . ?
C40 C41 1.409(3) . ?
C40 C59 1.452(3) . ?
C41 C42 1.436(3) . ?
C42 C43 1.354(3) . ?
C43 C60 1.449(3) . ?
C43 C44 1.537(3) . ?
C44 C62 1.533(3) . ?
C44 C45 1.533(3) . ?
C44 C81 1.553(3) . ?
C45 C46 1.564(3) . ?
C46 C47 1.511(2) . ?
C46 C83 1.552(2) . ?
C47 C48 1.364(3) . ?
C47 C63 1.459(3) . ?
C48 C49 1.459(3) . ?
C49 C50 1.406(3) . ?
C49 C64 1.418(3) . ?
C50 C51 1.413(3) . ?
C51 C66 1.408(3) . ?
C51 C52 1.537(3) . ?
C52 C53 1.544(3) . ?
C52 C85 1.548(3) . ?
C53 C54 1.374(3) . ?
C53 C67 1.437(3) . ?
C54 C55 1.437(3) . ?
C55 C56 1.395(3) . ?
C56 C68 1.429(3) . ?
C56 C57 1.450(3) . ?
C57 C58 1.454(3) . ?
C58 C69 1.421(3) . ?
C58 C59 1.425(3) . ?
C59 C60 1.418(3) . ?
C60 C61 1.421(3) . ?
C61 C70 1.422(3) . ?
C61 C62 1.438(3) . ?
C62 C63 1.363(3) . ?
C63 C64 1.446(3) . ?
C64 C65 1.403(3) . ?
C65 C66 1.425(3) . ?
C65 C70 1.452(3) . ?
C66 C67 1.448(3) . ?
C67 C68 1.388(3) . ?
C68 C69 1.454(3) . ?
C69 C70 1.418(3) . ?
C71 C72 1.541(3) . ?
C73 C73A 0.54(2) . ?
C73 C74A 1.268(16) . ?
C73 C74 1.541(5) . ?
C73A C74 1.10(2) . ?
C73A C74A 1.48(3) . ?
C74 C74A 1.70(3) . ?
C75 C76 1.537(3) . ?
C77 C78 1.533(3) . ?
C79 C80 1.534(3) . ?
C81 C82 1.540(3) . ?
C83 C84 1.539(3) . ?
C85 C86 1.536(3) . ?
C87 C88 1.501(5) . ?
C87 C87 1.534(7) 7_565 ?
C88 C89 1.521(5) . ?
