#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/63/2206364.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2206364
loop_
_publ_author_name
'Bolte, Michael'
'Ruderfer, Ilya'
'Müller, Thomas'
_publ_section_title
;
 Lithium--tetrakis(pentafluorophenyl)borate--benzene (1/1/2)
;
_journal_coeditor_code           BV6022
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1581
_journal_page_last               m1582
_journal_paper_doi               10.1107/S1600536805022336
_journal_volume                  61
_journal_year                    2005
_chemical_formula_moiety         'Li +, C24 B F20 -, 2C6 H6'
_chemical_formula_sum            'C36 H12 B F20 Li'
_chemical_formula_weight         842.21
_chemical_name_systematic
;
Lithium--tetrakis(pentafluorophenyl)borate--benzene (1/1/2)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.267(5)
_cell_angle_beta                 103.752(5)
_cell_angle_gamma                93.744(5)
_cell_formula_units_Z            4
_cell_length_a                   10.1025(6)
_cell_length_b                   17.3954(11)
_cell_length_c                   20.3856(13)
_cell_measurement_reflns_used    81347
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      3.6
_cell_volume                     3375.0(4)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2001)'
_computing_data_reduction        X-AREA
_computing_molecular_graphics    'XP in SHELXTL-Plus (Sheldrick, 1991)'
_computing_publication_material  'SHELXL97 and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Stoe IPDS-II two-circle'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1003
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            71332
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.38
_diffrn_reflns_theta_min         3.62
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.173
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.34
_refine_diff_density_max         1.102
_refine_diff_density_min         -0.711
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1027
_refine_ls_number_reflns         12200
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.1219
_refine_ls_R_factor_gt           0.0939
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0711P)²+17.0328P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2245
_refine_ls_wR_factor_ref         0.2458
_reflns_number_gt                8647
_reflns_number_total             12200
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bv6022.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_formula_sum        'C36 H12 B1 F20 Li1'
_cod_database_code               2206364
_cod_database_fobs_code          2206364
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
B1 0.0467(8) 1.0143(4) 0.3246(3) 0.0418(16) Uani d . 1 . . B
Li1 -0.3132(15) 0.8008(8) 0.4378(6) 0.061(3) Uani d . 1 . . Li
C11 0.0377(8) 1.0650(4) 0.2627(4) 0.0511(17) Uani d . 1 . . C
C12 -0.0647(9) 1.0517(4) 0.2014(4) 0.0590(19) Uani d . 1 . . C
C13 -0.0761(11) 1.1041(5) 0.1563(4) 0.072(3) Uani d . 1 . . C
C14 0.0153(13) 1.1702(5) 0.1724(5) 0.085(3) Uani d . 1 . . C
C15 0.1190(11) 1.1867(4) 0.2330(5) 0.074(3) Uani d . 1 . . C
C16 0.1244(9) 1.1338(4) 0.2760(4) 0.0568(19) Uani d . 1 . . C
F12 -0.1622(5) 0.9887(2) 0.1802(2) 0.0651(12) Uani d . 1 . . F
F13 -0.1810(8) 1.0896(3) 0.0986(3) 0.107(2) Uani d . 1 . . F
F14 0.0065(8) 1.2216(3) 0.1304(3) 0.117(3) Uani d . 1 . . F
F15 0.2121(7) 1.2519(3) 0.2509(3) 0.097(2) Uani d . 1 . . F
F16 0.2283(5) 1.1539(2) 0.3372(3) 0.0679(13) Uani d . 1 . . F
C21 -0.0100(7) 1.0771(3) 0.3831(3) 0.0376(13) Uani d . 1 . . C
C22 0.0647(7) 1.1227(3) 0.4472(3) 0.0436(14) Uani d . 1 . . C
C23 0.0104(8) 1.1774(4) 0.4906(3) 0.0478(16) Uani d . 1 . . C
C24 -0.1234(8) 1.1909(3) 0.4707(3) 0.0478(16) Uani d . 1 . . C
C25 -0.2033(7) 1.1496(3) 0.4063(3) 0.0426(14) Uani d . 1 . . C
C26 -0.1446(7) 1.0938(3) 0.3652(3) 0.0400(14) Uani d . 1 . . C
F22 0.2014(4) 1.1178(2) 0.47336(18) 0.0474(8) Uani d . 1 . . F
F23 0.0933(5) 1.2167(2) 0.55341(18) 0.0627(11) Uani d . 1 . . F
F24 -0.1768(6) 1.2444(3) 0.5126(2) 0.0773(14) Uani d . 1 . . F
F25 -0.3354(5) 1.1608(2) 0.3856(2) 0.0589(10) Uani d . 1 . . F
F26 -0.2301(4) 1.0549(2) 0.30344(19) 0.0500(9) Uani d . 1 . . F
C31 -0.0521(6) 0.9272(3) 0.2976(3) 0.0380(13) Uani d . 1 . . C
C32 -0.1436(6) 0.8985(3) 0.3303(3) 0.0378(13) Uani d . 1 . . C
C33 -0.2212(6) 0.8243(3) 0.3056(3) 0.0355(12) Uani d . 1 . . C
C34 -0.2075(6) 0.7733(3) 0.2457(3) 0.0368(13) Uani d . 1 . . C
C35 -0.1142(6) 0.7975(3) 0.2135(3) 0.0384(13) Uani d . 1 . . C
C36 -0.0391(6) 0.8717(3) 0.2389(3) 0.0363(12) Uani d . 1 . . C
F32 -0.1648(4) 0.94083(19) 0.39038(17) 0.0481(9) Uani d . 1 . . F
F33 -0.3145(4) 0.8006(2) 0.33879(18) 0.0461(8) Uani d . 1 . . F
F34 -0.2839(4) 0.7017(2) 0.22181(19) 0.0523(9) Uani d . 1 . . F
F35 -0.0968(4) 0.7483(2) 0.15495(17) 0.0491(9) Uani d . 1 . . F
F36 0.0529(4) 0.8919(2) 0.20426(17) 0.0458(8) Uani d . 1 . . F
C41 0.2010(7) 0.9893(3) 0.3538(3) 0.0419(14) Uani d . 1 . . C
C42 0.3089(7) 0.9859(3) 0.3233(3) 0.0414(14) Uani d . 1 . . C
C43 0.4332(7) 0.9606(3) 0.3472(3) 0.0432(14) Uani d . 1 . . C
C44 0.4537(7) 0.9324(3) 0.4084(3) 0.0423(14) Uani d . 1 . . C
C45 0.3504(7) 0.9326(3) 0.4409(3) 0.0425(14) Uani d . 1 . . C
C46 0.2276(7) 0.9583(3) 0.4141(3) 0.0420(14) Uani d . 1 . . C
F42 0.2967(4) 1.0103(2) 0.26214(19) 0.0535(9) Uani d . 1 . . F
F43 0.5319(4) 0.9576(2) 0.3131(2) 0.0581(10) Uani d . 1 . . F
F44 0.5753(4) 0.9075(2) 0.4337(2) 0.0543(9) Uani d . 1 . . F
F45 0.3703(4) 0.9061(2) 0.50045(19) 0.0543(10) Uani d . 1 . . F
F46 0.1283(4) 0.9542(2) 0.44815(18) 0.0483(9) Uani d . 1 . . F
C91 -0.5012(12) 0.6729(5) 0.3741(5) 0.094(4) Uani d . 1 . . C
H91 -0.5513 0.6614 0.3267 0.113 Uiso calc R 1 . . H
C92 -0.3770(14) 0.6403(6) 0.3938(5) 0.109(4) Uani d . 1 . . C
H92 -0.3424 0.6074 0.3598 0.131 Uiso calc R 1 . . H
C93 -0.3049(13) 0.6571(5) 0.4649(4) 0.094(4) Uani d . 1 . . C
H93 -0.2230 0.6343 0.4788 0.113 Uiso calc R 1 . . H
C94 -0.3537(9) 0.7070(4) 0.5141(4) 0.064(2) Uani d . 1 . . C
H94 -0.3031 0.7198 0.5615 0.076 Uiso calc R 1 . . H
C95 -0.4745(8) 0.7377(4) 0.4948(4) 0.063(2) Uani d . 1 . . C
H95 -0.5082 0.7702 0.5294 0.075 Uiso calc R 1 . . H
C96 -0.5498(9) 0.7221(5) 0.4248(4) 0.069(2) Uani d . 1 . . C
H96 -0.6324 0.7448 0.4120 0.083 Uiso calc R 1 . . H
B2 0.9549(4) 0.4862(3) 0.1756(2) 0.0140(9) Uani d . 1 . . B
Li2 1.3137(8) 0.6983(6) 0.0605(5) 0.0322(19) Uani d . 1 . . Li
C51 0.9629(4) 0.4362(2) 0.2366(2) 0.0157(8) Uani d . 1 . . C
C52 1.0655(4) 0.4473(3) 0.2991(2) 0.0206(9) Uani d . 1 . . C
C53 1.0774(5) 0.3959(3) 0.3426(3) 0.0325(12) Uani d . 1 . . C
C54 0.9832(6) 0.3299(3) 0.3268(3) 0.0348(12) Uani d . 1 . . C
C55 0.8791(5) 0.3149(3) 0.2660(3) 0.0326(12) Uani d . 1 . . C
C56 0.8729(4) 0.3669(3) 0.2232(3) 0.0231(9) Uani d . 1 . . C
F52 1.1631(3) 0.51194(16) 0.32004(14) 0.0262(6) Uani d . 1 . . F
F53 1.1812(3) 0.4105(2) 0.40151(16) 0.0443(8) Uani d . 1 . . F
F54 0.9946(4) 0.2797(2) 0.3701(2) 0.0557(10) Uani d . 1 . . F
F55 0.7869(4) 0.2490(2) 0.2497(2) 0.0521(10) Uani d . 1 . . F
F56 0.7715(3) 0.34643(16) 0.16252(16) 0.0303(6) Uani d . 1 . . F
C61 1.0530(4) 0.5733(2) 0.2024(2) 0.0133(8) Uani d . 1 . . C
C62 1.1459(4) 0.6021(2) 0.1698(2) 0.0154(8) Uani d . 1 . . C
C63 1.2233(4) 0.6759(3) 0.1954(2) 0.0198(9) Uani d . 1 . . C
C64 1.2095(4) 0.7267(3) 0.2536(3) 0.0245(10) Uani d . 1 . . C
C65 1.1152(5) 0.7024(3) 0.2878(2) 0.0209(9) Uani d . 1 . . C
C66 1.0404(4) 0.6281(3) 0.2608(2) 0.0185(9) Uani d . 1 . . C
F62 1.1656(2) 0.55890(15) 0.10975(13) 0.0185(5) Uani d . 1 . . F
F63 1.3154(2) 0.69939(16) 0.16120(14) 0.0244(6) Uani d . 1 . . F
F64 1.2851(3) 0.79855(17) 0.27847(17) 0.0387(7) Uani d . 1 . . F
F65 1.0978(3) 0.75227(18) 0.34458(15) 0.0342(7) Uani d . 1 . . F
F66 0.9488(3) 0.60916(17) 0.29603(14) 0.0262(6) Uani d . 1 . . F
C71 0.7998(4) 0.5110(2) 0.1454(2) 0.0144(8) Uani d . 1 . . C
C72 0.7730(4) 0.5410(2) 0.0863(2) 0.0142(8) Uani d . 1 . . C
C73 0.6498(4) 0.5682(3) 0.0584(2) 0.0167(8) Uani d . 1 . . C
C74 0.5471(4) 0.5666(2) 0.0929(2) 0.0172(8) Uani d U 1 . . C
C75 0.5673(4) 0.5406(3) 0.1522(2) 0.0196(9) Uani d . 1 . . C
C76 0.6926(4) 0.5126(3) 0.1784(2) 0.0183(9) Uani d . 1 . . C
F72 0.8716(2) 0.54524(15) 0.05123(13) 0.0197(5) Uani d . 1 . . F
F73 0.6297(2) 0.59410(16) -0.00046(14) 0.0246(6) Uani d . 1 . . F
F74 0.4250(2) 0.59348(16) 0.06597(15) 0.0262(6) Uani d . 1 . . F
F75 0.4689(3) 0.54231(19) 0.18724(17) 0.0326(7) Uani d . 1 . . F
F76 0.7042(3) 0.49036(17) 0.23841(14) 0.0265(6) Uani d . 1 . . F
C81 1.0096(4) 0.4233(2) 0.1174(2) 0.0148(8) Uani d . 1 . . C
C82 1.1465(4) 0.4053(3) 0.1347(2) 0.0177(9) Uani d . 1 . . C
C83 1.2029(4) 0.3521(3) 0.0931(2) 0.0204(9) Uani d . 1 . . C
C84 1.1236(4) 0.3087(3) 0.0291(2) 0.0193(9) Uani d . 1 . . C
C85 0.9885(4) 0.3229(2) 0.0093(2) 0.0158(8) Uani d . 1 . . C
C86 0.9368(4) 0.3776(2) 0.0534(2) 0.0124(8) Uani d U 1 . . C
F82 1.2309(2) 0.44484(16) 0.19699(13) 0.0222(6) Uani d . 1 . . F
F83 1.3363(2) 0.33920(18) 0.11482(15) 0.0298(7) Uani d . 1 . . F
F84 1.1769(3) 0.25604(17) -0.01253(15) 0.0291(6) Uani d . 1 . . F
F85 0.9049(2) 0.28296(16) -0.05397(14) 0.0249(6) Uani d . 1 . . F
F86 0.7976(2) 0.38291(15) 0.02660(13) 0.0190(5) Uani d . 1 . . F
C101 1.5007(5) 0.8281(3) 0.1240(3) 0.0379(13) Uani d . 1 . . C
H101 1.5511 0.8406 0.1714 0.046 Uiso calc R 1 . . H
C102 1.3058(5) 0.8430(3) 0.0354(3) 0.0352(12) Uani d . 1 . . C
H102 1.2221 0.8644 0.0221 0.042 Uiso calc R 1 . . H
C103 1.3785(6) 0.8602(3) 0.1044(3) 0.0370(12) Uani d . 1 . . C
H103 1.3453 0.8939 0.1385 0.044 Uiso calc R 1 . . H
C104 1.3551(5) 0.7944(3) -0.0144(3) 0.0344(12) Uani d . 1 . . C
H104 1.3070 0.7839 -0.0621 0.041 Uiso calc R 1 . . H
C105 1.5486(5) 0.7786(4) 0.0755(3) 0.0412(14) Uani d . 1 . . C
H105 1.6312 0.7565 0.0894 0.049 Uiso calc R 1 . . H
C106 1.4766(6) 0.7608(3) 0.0062(3) 0.0397(14) Uani d . 1 . . C
H106 1.5093 0.7260 -0.0274 0.048 Uiso calc R 1 . . H
C111 0.464(2) 0.1325(11) 0.1602(8) 0.130(8) Uiso d PD 0.567(9) A 1 C
H111 0.4627 0.1645 0.2040 0.156 Uiso calc PR 0.567(9) A 1 H
C112 0.3740(16) 0.1409(9) 0.0984(9) 0.105(6) Uiso d PD 0.567(9) A 1 C
H112 0.3098 0.1783 0.1006 0.126 Uiso calc PR 0.567(9) A 1 H
C113 0.378(2) 0.0949(13) 0.0340(8) 0.168(12) Uiso d PD 0.567(9) A 1 C
H113 0.3169 0.1015 -0.0071 0.201 Uiso calc PR 0.567(9) A 1 H
C114 0.472(2) 0.0390(13) 0.0295(8) 0.137(9) Uiso d PD 0.567(9) . 1 C
H114 0.4752 0.0081 -0.0143 0.165 Uiso calc PR 0.567(9) A 1 H
C115 0.5598(18) 0.0297(10) 0.0909(9) 0.111(7) Uiso d PD 0.567(9) A 1 C
H115 0.6228 -0.0084 0.0885 0.133 Uiso calc PR 0.567(9) A 1 H
C116 0.5570(19) 0.0755(12) 0.1558(8) 0.119(7) Uiso d PD 0.567(9) A 1 C
H116 0.6174 0.0682 0.1969 0.143 Uiso calc PR 0.567(9) A 1 H
C121 0.0068(10) -0.0217(6) 0.0263(4) 0.111(5) Uiso d PD 0.865(18) . 2 C
H121 0.0808 -0.0063 0.0670 0.133 Uiso d PR 0.433(9) A 2 H
H12' -0.0565 -0.0673 0.0196 0.133 Uiso d PR 0.433(9) A 2 H
C122 -0.0885(14) -0.0852(7) 0.0177(8) 0.089(7) Uiso d PD 0.433(9) A 2 C
H122 -0.0801 -0.1144 0.0527 0.106 Uiso calc PR 0.433(9) A 2 H
C123 -0.1988(16) -0.1077(10) -0.0422(9) 0.116(9) Uiso d PD 0.433(9) A 2 C
H123 -0.2624 -0.1530 -0.0484 0.139 Uiso calc PR 0.433(9) A 2 H
C124 -0.2147(14) -0.0629(10) -0.0933(8) 0.081(6) Uiso d PD 0.433(9) A 2 C
H124 -0.2946 -0.0737 -0.1310 0.097 Uiso calc PR 0.433(9) A 2 H
C125 -0.1113(15) -0.0023(10) -0.0875(6) 0.076(6) Uiso d PD 0.433(9) . 2 C
H125 -0.1124 0.0222 -0.1250 0.091 Uiso calc PR 0.433(9) A 2 H
C131 0.405(2) 0.6156(12) 0.6595(8) 0.160(11) Uiso d PD 0.598(10) B 1 C
H131 0.4027 0.6439 0.7045 0.191 Uiso calc PR 0.598(10) B 1 H
C132 0.3120(17) 0.6270(10) 0.5996(10) 0.152(10) Uiso d PD 0.598(10) B 1 C
H132 0.2473 0.6637 0.6043 0.182 Uiso calc PR 0.598(10) B 1 H
C133 0.3143(16) 0.5849(10) 0.5336(8) 0.102(6) Uiso d PD 0.598(10) B 1 C
H133 0.2504 0.5926 0.4938 0.122 Uiso calc PR 0.598(10) B 1 H
C134 0.410(2) 0.5313(13) 0.5258(7) 0.147(9) Uiso d PD 0.598(10) B 1 C
H134 0.4137 0.5037 0.4808 0.176 Uiso calc PR 0.598(10) B 1 H
C135 0.5013(18) 0.5189(11) 0.5851(9) 0.120(7) Uiso d PD 0.598(10) B 1 C
H135 0.5637 0.4808 0.5801 0.143 Uiso calc PR 0.598(10) B 1 H
C136 0.5017(17) 0.5615(11) 0.6514(8) 0.108(6) Uiso d PD 0.598(10) B 1 C
H136 0.5668 0.5541 0.6910 0.129 Uiso calc PR 0.598(10) B 1 H
C141 -0.0072(8) 0.5213(5) 0.4740(4) 0.108(5) Uiso d PD 0.804(19) . 2 C
H141 -0.0899 0.5135 0.4382 0.129 Uiso d PR 0.402(10) B 2 H
H14' 0.0664 0.5585 0.4745 0.129 Uiso d PR 0.402(10) B 2 H
C142 0.1054(13) 0.5766(9) 0.4776(8) 0.091(7) Uiso d PD 0.402(10) B 2 C
H142 0.0993 0.6049 0.4421 0.109 Uiso calc PR 0.402(10) B 2 H
C144 0.2398(12) 0.5465(11) 0.5833(9) 0.096(8) Uiso d PD 0.402(10) B 2 C
H144 0.3217 0.5548 0.6197 0.115 Uiso calc PR 0.402(10) B 2 H
C143 0.2248(13) 0.5906(10) 0.5316(9) 0.078(6) Uiso d PD 0.402(10) B 2 C
H143 0.2964 0.6300 0.5338 0.094 Uiso calc PR 0.402(10) B 2 H
C145 0.1305(13) 0.4905(11) 0.5792(7) 0.082(7) Uiso d PD 0.402(10) . 2 C
H145 0.1394 0.4597 0.6130 0.099 Uiso calc PR 0.402(10) B 2 H
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'
B B 0.0013 0.0007 '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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C41 B1 C31 . . 102.8(5)
C41 B1 C21 . . 115.2(5)
C31 B1 C21 . . 111.2(5)
C41 B1 C11 . . 113.8(5)
C31 B1 C11 . . 113.5(5)
C21 B1 C11 . . 100.8(4)
F33 Li1 F22 . 2_576 127.1(7)
F33 Li1 F23 . 2_576 83.0(5)
F22 Li1 F23 2_576 2_576 73.9(5)
F33 Li1 F44 . 1_455 84.5(5)
F22 Li1 F44 2_576 1_455 77.7(4)
F23 Li1 F44 2_576 1_455 132.2(7)
F33 Li1 C95 . . 134.4(7)
F22 Li1 C95 2_576 . 96.5(5)
F23 Li1 C95 2_576 . 126.7(6)
F44 Li1 C95 1_455 . 93.9(6)
F33 Li1 C94 . . 141.2(6)
F22 Li1 C94 2_576 . 88.7(4)
F23 Li1 C94 2_576 . 95.5(5)
F44 Li1 C94 1_455 . 121.6(6)
C95 Li1 C94 . . 31.2(3)
F33 Li1 C96 . . 102.8(5)
F22 Li1 C96 2_576 . 125.0(6)
F23 Li1 C96 2_576 . 141.0(6)
F44 Li1 C96 1_455 . 86.8(5)
C95 Li1 C96 . . 31.8(3)
C94 Li1 C96 . . 56.0(4)
F33 Li1 C93 . . 113.3(6)
F22 Li1 C93 2_576 . 107.4(5)
F23 Li1 C93 2_576 . 78.0(5)
F44 Li1 C93 1_455 . 148.2(7)
C95 Li1 C93 . . 54.6(4)
C94 Li1 C93 . . 30.7(3)
C96 Li1 C93 . . 64.2(5)
F33 Li1 C91 . . 81.7(5)
F22 Li1 C91 2_576 . 151.1(7)
F23 Li1 C91 2_576 . 116.8(6)
F44 Li1 C91 1_455 . 106.6(6)
C95 Li1 C91 . . 55.0(4)
C94 Li1 C91 . . 64.4(4)
C96 Li1 C91 . . 30.6(4)
C93 Li1 C91 . . 54.1(4)
F33 Li1 C92 . . 86.7(5)
F22 Li1 C92 2_576 . 137.7(6)
F23 Li1 C92 2_576 . 88.1(5)
F44 Li1 C92 1_455 . 136.9(7)
C95 Li1 C92 . . 63.9(5)
C94 Li1 C92 . . 54.6(4)
C96 Li1 C92 . . 54.4(5)
C93 Li1 C92 . . 30.4(3)
C91 Li1 C92 . . 30.3(4)
C16 C11 C12 . . 113.9(6)
C16 C11 B1 . . 119.4(6)
C12 C11 B1 . . 125.9(6)
F12 C12 C11 . . 122.9(6)
F12 C12 C13 . . 114.6(8)
C11 C12 C13 . . 122.5(8)
F13 C13 C14 . . 120.1(7)
F13 C13 C12 . . 119.8(9)
C14 C13 C12 . . 120.1(9)
C13 C14 F14 . . 121.4(11)
C13 C14 C15 . . 119.9(7)
F14 C14 C15 . . 118.7(10)
F15 C15 C14 . . 121.7(7)
F15 C15 C16 . . 120.6(10)
C14 C15 C16 . . 117.6(8)
C11 C16 F16 . . 118.6(6)
C11 C16 C15 . . 125.9(9)
F16 C16 C15 . . 115.6(7)
C22 C21 C26 . . 112.8(5)
C22 C21 B1 . . 128.1(6)
C26 C21 B1 . . 118.8(5)
F22 C22 C21 . . 122.2(6)
F22 C22 C23 . . 113.8(6)
C21 C22 C23 . . 124.0(6)
F23 C23 C24 . . 121.0(6)
F23 C23 C22 . . 118.4(6)
C24 C23 C22 . . 120.6(6)
F24 C24 C23 . . 120.9(6)
F24 C24 C25 . . 120.3(6)
C23 C24 C25 . . 118.8(6)
F25 C25 C24 . . 120.3(5)
F25 C25 C26 . . 121.3(6)
C24 C25 C26 . . 118.3(6)
F26 C26 C21 . . 119.9(5)
F26 C26 C25 . . 114.8(6)
C21 C26 C25 . . 125.3(6)
C22 F22 Li1 . 2_576 120.0(5)
C23 F23 Li1 . 2_576 112.2(5)
C32 C31 C36 . . 113.1(5)
C32 C31 B1 . . 126.6(5)
C36 C31 B1 . . 120.1(5)
F32 C32 C31 . . 122.5(5)
F32 C32 C33 . . 113.7(5)
C31 C32 C33 . . 123.8(5)
F33 C33 C34 . . 118.7(5)
F33 C33 C32 . . 121.1(5)
C34 C33 C32 . . 120.3(5)
F34 C34 C35 . . 122.1(5)
F34 C34 C33 . . 119.9(6)
C35 C34 C33 . . 118.0(5)
C34 C35 F35 . . 119.5(5)
C34 C35 C36 . . 120.5(5)
F35 C35 C36 . . 119.9(5)
F36 C36 C35 . . 117.4(5)
F36 C36 C31 . . 118.5(5)
C35 C36 C31 . . 124.2(6)
C33 F33 Li1 . . 135.6(5)
C42 C41 C46 . . 112.1(6)
C42 C41 B1 . . 128.6(5)
C46 C41 B1 . . 118.9(5)
C43 C42 C41 . . 126.9(6)
C43 C42 F42 . . 113.7(5)
C41 C42 F42 . . 119.3(6)
F43 C43 C42 . . 122.9(6)
F43 C43 C44 . . 119.1(6)
C42 C43 C44 . . 117.8(6)
F44 C44 C45 . . 122.0(6)
F44 C44 C43 . . 119.4(6)
C45 C44 C43 . . 118.6(6)
C44 C45 F45 . . 118.8(6)
C44 C45 C46 . . 120.9(6)
F45 C45 C46 . . 120.2(6)
F46 C46 C45 . . 117.4(5)
F46 C46 C41 . . 119.0(6)
C45 C46 C41 . . 123.5(6)
C44 F44 Li1 . 1_655 144.4(5)
C96 C91 C92 . . 119.8(8)
C96 C91 Li1 . . 70.8(5)
C92 C91 Li1 . . 76.0(7)
C96 C91 H91 . . 120.1
C92 C91 H91 . . 120.1
Li1 C91 H91 . . 124.7
C93 C92 C91 . . 119.2(10)
C93 C92 Li1 . . 72.7(6)
C91 C92 Li1 . . 73.8(6)
C93 C92 H92 . . 120.4
C91 C92 H92 . . 120.4
Li1 C92 H92 . . 124.8
C94 C93 C92 . . 120.1(9)
C94 C93 Li1 . . 70.1(5)
C92 C93 Li1 . . 77.0(6)
C94 C93 H93 . . 119.9
C92 C93 H93 . . 119.9
Li1 C93 H93 . . 124.5
C95 C94 C93 . . 120.3(7)
C95 C94 Li1 . . 73.4(5)
C93 C94 Li1 . . 79.3(6)
C95 C94 H94 . . 119.8
C93 C94 H94 . . 119.8
Li1 C94 H94 . . 118.4
C94 C95 C96 . . 121.4(9)
C94 C95 Li1 . . 75.4(6)
C96 C95 Li1 . . 76.8(6)
C94 C95 H95 . . 119.3
C96 C95 H95 . . 119.3
Li1 C95 H95 . . 119.4
C91 C96 C95 . . 119.1(8)
C91 C96 Li1 . . 78.6(6)
C95 C96 Li1 . . 71.4(5)
C91 C96 H96 . . 120.5
C95 C96 H96 . . 120.5
Li1 C96 H96 . . 120.6
C51 B2 C81 . . 100.7(3)
C51 B2 C71 . . 113.9(3)
C81 B2 C71 . . 114.2(3)
C51 B2 C61 . . 113.9(3)
C81 B2 C61 . . 111.8(3)
C71 B2 C61 . . 102.8(3)
F63 Li2 F86 . 2_765 126.8(4)
F63 Li2 F74 . 1_655 84.1(3)
F86 Li2 F74 2_765 1_655 78.1(3)
F63 Li2 F85 . 2_765 82.0(3)
F86 Li2 F85 2_765 2_765 74.8(3)
F74 Li2 F85 1_655 2_765 132.6(4)
F63 Li2 C106 . . 133.1(4)
F86 Li2 C106 2_765 . 98.0(4)
F74 Li2 C106 1_655 . 93.6(3)
F85 Li2 C106 2_765 . 128.0(4)
F63 Li2 C104 . . 139.9(5)
F86 Li2 C104 2_765 . 90.2(3)
F74 Li2 C104 1_655 . 122.6(4)
F85 Li2 C104 2_765 . 95.8(4)
C106 Li2 C104 . . 32.2(2)
F63 Li2 C105 . . 101.7(4)
F86 Li2 C105 2_765 . 126.6(4)
F74 Li2 C105 1_655 . 87.3(3)
F85 Li2 C105 2_765 . 139.9(5)
C106 Li2 C105 . . 31.5(2)
C104 Li2 C105 . . 55.9(2)
F63 Li2 C102 . . 112.1(4)
F86 Li2 C102 2_765 . 108.7(4)
F74 Li2 C102 1_655 . 148.6(4)
F85 Li2 C102 2_765 . 77.8(3)
C106 Li2 C102 . . 55.5(2)
C104 Li2 C102 . . 30.6(2)
C105 Li2 C102 . . 63.7(3)
F63 Li2 C101 . . 81.6(3)
F86 Li2 C101 2_765 . 151.6(4)
F74 Li2 C101 1_655 . 106.8(3)
F85 Li2 C101 2_765 . 115.5(4)
C106 Li2 C101 . . 54.2(3)
C104 Li2 C101 . . 63.2(3)
C105 Li2 C101 . . 29.7(2)
C102 Li2 C101 . . 53.0(2)
F63 Li2 C103 . . 86.5(3)
F86 Li2 C103 2_765 . 138.1(4)
F74 Li2 C103 1_655 . 136.3(4)
F85 Li2 C103 2_765 . 87.6(3)
C106 Li2 C103 . . 63.5(3)
C104 Li2 C103 . . 53.5(3)
C105 Li2 C103 . . 53.3(2)
C102 Li2 C103 . . 29.5(2)
C101 Li2 C103 . . 29.6(2)
C56 C51 C52 . . 112.5(4)
C56 C51 B2 . . 119.3(4)
C52 C51 B2 . . 127.4(4)
F52 C52 C53 . . 115.5(4)
F52 C52 C51 . . 120.2(4)
C53 C52 C51 . . 124.3(4)
F53 C53 C54 . . 119.5(4)
F53 C53 C52 . . 120.5(5)
C54 C53 C52 . . 120.0(5)
F54 C54 C53 . . 119.8(5)
F54 C54 C55 . . 121.1(5)
C53 C54 C55 . . 119.1(4)
F55 C55 C56 . . 121.7(5)
F55 C55 C54 . . 119.3(5)
C56 C55 C54 . . 119.0(5)
F56 C56 C55 . . 115.9(4)
F56 C56 C51 . . 119.0(4)
C55 C56 C51 . . 125.1(5)
C66 C61 C62 . . 113.2(4)
C66 C61 B2 . . 120.0(3)
C62 C61 B2 . . 126.7(4)
F62 C62 C63 . . 115.4(4)
F62 C62 C61 . . 121.6(4)
C63 C62 C61 . . 123.1(4)
C64 C63 F63 . . 118.7(4)
C64 C63 C62 . . 121.5(4)
F63 C63 C62 . . 119.8(4)
F64 C64 C63 . . 121.3(4)
F64 C64 C65 . . 120.4(4)
C63 C64 C65 . . 118.3(4)
F65 C65 C66 . . 122.2(4)
F65 C65 C64 . . 119.3(4)
C66 C65 C64 . . 118.5(4)
F66 C66 C65 . . 115.2(4)
F66 C66 C61 . . 119.5(4)
C65 C66 C61 . . 125.4(4)
C63 F63 Li2 . . 136.2(3)
C72 C71 C76 . . 114.2(3)
C72 C71 B2 . . 119.8(3)
C76 C71 B2 . . 125.7(4)
F72 C72 C71 . . 119.6(3)
F72 C72 C73 . . 115.4(4)
C71 C72 C73 . . 125.0(4)
F73 C73 C74 . . 120.7(3)
F73 C73 C72 . . 121.7(4)
C74 C73 C72 . . 117.7(4)
C75 C74 F74 . . 121.0(4)
C75 C74 C73 . . 120.7(4)
F74 C74 C73 . . 118.3(4)
C74 C75 F75 . . 120.5(4)
C74 C75 C76 . . 120.0(4)
F75 C75 C76 . . 119.5(4)
F76 C76 C71 . . 122.2(3)
F76 C76 C75 . . 115.5(4)
C71 C76 C75 . . 122.3(4)
C74 F74 Li2 . 1_455 145.8(3)
C86 C81 C82 . . 111.3(4)
C86 C81 B2 . . 129.3(3)
C82 C81 B2 . . 119.2(4)
F82 C82 C83 . . 116.5(3)
F82 C82 C81 . . 118.2(4)
C83 C82 C81 . . 125.3(4)
F83 C83 C82 . . 120.6(4)
F83 C83 C84 . . 119.2(4)
C82 C83 C84 . . 120.2(4)
F84 C84 C85 . . 121.4(4)
F84 C84 C83 . . 121.2(4)
C85 C84 C83 . . 117.4(4)
F85 C85 C84 . . 120.4(4)
F85 C85 C86 . . 119.6(3)
C84 C85 C86 . . 120.0(4)
C81 C86 C85 . . 125.8(4)
C81 C86 F86 . . 121.5(3)
C85 C86 F86 . . 112.7(3)
C85 F85 Li2 . 2_765 110.9(3)
C86 F86 Li2 . 2_765 119.9(3)
C105 C101 C103 . . 120.5(6)
C105 C101 Li2 . . 70.0(4)
C103 C101 Li2 . . 76.6(4)
C105 C101 H101 . . 119.8
C103 C101 H101 . . 119.8
Li2 C101 H101 . . 125.3
C103 C102 C104 . . 120.0(5)
C103 C102 Li2 . . 78.3(4)
C104 C102 Li2 . . 70.4(3)
C103 C102 H102 . . 120.0
C104 C102 H102 . . 120.0
Li2 C102 H102 . . 122.4
C102 C103 C101 . . 120.0(5)
C102 C103 Li2 . . 72.2(4)
C101 C103 Li2 . . 73.8(4)
C102 C103 H103 . . 120.0
C101 C103 H103 . . 120.0
Li2 C103 H103 . . 125.7
C102 C104 C106 . . 119.5(5)
C102 C104 Li2 . . 78.9(4)
C106 C104 Li2 . . 71.3(4)
C102 C104 H104 . . 120.2
C106 C104 H104 . . 120.2
Li2 C104 H104 . . 120.6
C101 C105 C106 . . 120.1(5)
C101 C105 Li2 . . 80.2(4)
C106 C105 Li2 . . 70.7(4)
C101 C105 H105 . . 119.9
C106 C105 H105 . . 119.9
Li2 C105 H105 . . 120.1
C105 C106 C104 . . 119.9(5)
C105 C106 Li2 . . 77.8(4)
C104 C106 Li2 . . 76.5(4)
C105 C106 H106 . . 120.1
C104 C106 H106 . . 120.1
Li2 C106 H106 . . 116.4
C116 C111 C112 . . 118.7(7)
C116 C111 H111 . . 120.7
C112 C111 H111 . . 120.7
C113 C112 C111 . . 120.7(7)
C113 C112 H112 . . 119.7
C111 C112 H112 . . 119.7
C112 C113 C114 . . 120.6(7)
C112 C113 H113 . . 119.7
C114 C113 H113 . . 119.7
C115 C114 C113 . . 118.7(7)
C115 C114 C114 . 2_655 96.5(16)
C113 C114 C114 . 2_655 144.7(17)
C115 C114 H114 . . 120.6
C113 C114 H114 . . 120.6
C114 C114 H114 2_655 . 24.3
C116 C115 C114 . . 121.3(7)
C116 C115 H115 . . 119.4
C114 C115 H115 . . 119.4
C115 C116 C111 . . 120.0(7)
C115 C116 H116 . . 120.0
C111 C116 H116 . . 120.0
C122 C121 C125 . 2 120.0(7)
C122 C121 C121 . 2 119.2(7)
C125 C121 C121 2 2 120.6(7)
C122 C121 H121 . . 120.7
C125 C121 H121 2 . 2.5
C121 C121 H121 2 . 120.1
C122 C121 H12' . . 2.6
C125 C121 H12' 2 . 119.8
C121 C121 H12' 2 . 119.5
H121 C121 H12' . . 120.3
C121 C122 C123 . . 120.7(7)
C121 C122 H12' . . 5.9
C123 C122 H12' . . 121.3
C121 C122 H122 . . 119.6
C123 C122 H122 . . 119.6
H12' C122 H122 . . 118.7
C122 C123 C124 . . 119.9(7)
C122 C123 H123 . . 120.0
C124 C123 H123 . . 120.0
C125 C124 C123 . . 119.2(7)
C125 C124 H124 . . 120.4
C123 C124 H124 . . 120.4
C121 C125 C124 2 . 119.5(7)
C121 C125 H125 2 . 120.3
C124 C125 H125 . . 120.3
C132 C131 C136 . . 118.9(7)
C132 C131 H131 . . 120.6
C136 C131 H131 . . 120.6
C133 C132 C131 . . 120.6(7)
C133 C132 H132 . . 119.7
C131 C132 H132 . . 119.7
C132 C133 C134 . . 120.4(7)
C132 C133 H133 . . 119.8
C134 C133 H133 . . 119.8
C135 C134 C133 . . 119.2(7)
C135 C134 H134 . . 120.4
C133 C134 H134 . . 120.4
C136 C135 C134 . . 121.1(7)
C136 C135 H135 . . 119.5
C134 C135 H135 . . 119.5
C135 C136 C131 . . 119.8(7)
C135 C136 H136 . . 120.1
C131 C136 H136 . . 120.1
C141 C141 C145 2_566 2_566 120.6(7)
C141 C141 C142 2_566 . 117.5(7)
C145 C141 C142 2_566 . 121.9(7)
C141 C141 H141 2_566 . 120.8
C145 C141 H141 2_566 . 0.2
C142 C141 H141 . . 121.7
C141 C141 H14' 2_566 . 119.8
C145 C141 H14' 2_566 . 119.6
C142 C141 H14' . . 2.3
H141 C141 H14' . . 119.4
C143 C142 C141 . . 121.9(7)
C143 C142 H14' . . 126.5
C141 C142 H14' . . 4.7
C143 C142 H142 . . 119.1
C141 C142 H142 . . 119.1
H14' C142 H142 . . 114.4
C145 C144 C143 . . 118.0(7)
C145 C144 H144 . . 121.0
C143 C144 H144 . . 121.0
C142 C143 C144 . . 120.4(7)
C142 C143 H143 . . 119.8
C144 C143 H143 . . 119.8
C144 C145 C141 . 2_566 121.5(7)
C144 C145 H145 . . 119.2
C141 C145 H145 2_566 . 119.2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
B1 C41 . 1.653(11) ?
B1 C31 . 1.667(9) ?
B1 C21 . 1.671(9) ?
B1 C11 . 1.677(9) ?
Li1 F33 . 2.015(12) y
Li1 F22 2_576 2.071(13) y
Li1 F23 2_576 2.232(15) y
Li1 F44 1_455 2.238(14) y
Li1 C95 . 2.533(16) y
Li1 C94 . 2.559(15) y
Li1 C96 . 2.602(17) y
Li1 C93 . 2.674(15) y
Li1 C91 . 2.700(16) y
Li1 C92 . 2.729(16) y
C11 C16 . 1.373(10) ?
C11 C12 . 1.384(11) ?
C12 F12 . 1.347(9) ?
C12 C13 . 1.418(9) ?
C13 F13 . 1.347(11) ?
C13 C14 . 1.356(14) ?
C14 F14 . 1.358(8) ?
C14 C15 . 1.378(15) ?
C15 F15 . 1.352(10) ?
C15 C16 . 1.395(10) ?
C16 F16 . 1.387(10) ?
C21 C22 . 1.385(9) ?
C21 C26 . 1.388(9) ?
C22 F22 . 1.372(8) ?
C22 C23 . 1.390(9) ?
C23 F23 . 1.361(8) ?
C23 C24 . 1.366(10) ?
C24 F24 . 1.355(7) ?
C24 C25 . 1.381(9) ?
C25 F25 . 1.340(8) ?
C25 C26 . 1.401(8) ?
C26 F26 . 1.354(7) ?
F22 Li1 2_576 2.071(13) ?
F23 Li1 2_576 2.232(15) ?
C31 C32 . 1.387(8) ?
C31 C36 . 1.408(8) ?
C32 F32 . 1.361(6) ?
C32 C33 . 1.392(8) ?
C33 F33 . 1.373(7) ?
C33 C34 . 1.391(8) ?
C34 F34 . 1.350(6) ?
C34 C35 . 1.361(9) ?
C35 F35 . 1.369(7) ?
C35 C36 . 1.384(8) ?
C36 F36 . 1.363(7) ?
C41 C42 . 1.377(9) ?
C41 C46 . 1.420(8) ?
C42 C43 . 1.371(10) ?
C42 F42 . 1.381(7) ?
C43 F43 . 1.343(7) ?
C43 C44 . 1.411(9) ?
C44 F44 . 1.352(8) ?
C44 C45 . 1.363(9) ?
C45 F45 . 1.364(7) ?
C45 C46 . 1.375(9) ?
C46 F46 . 1.354(7) ?
F44 Li1 1_655 2.238(14) ?
C91 C96 . 1.401(15) ?
C91 C92 . 1.417(16) ?
C91 H91 . 0.9500 ?
C92 C93 . 1.416(12) ?
C92 H92 . 0.9500 ?
C93 C94 . 1.388(13) ?
C93 H93 . 0.9500 ?
C94 C95 . 1.370(11) ?
C94 H94 . 0.9500 ?
C95 C96 . 1.409(11) ?
C95 H95 . 0.9500 ?
C96 H96 . 0.9500 ?
B2 C51 . 1.652(6) ?
B2 C81 . 1.659(6) ?
B2 C71 . 1.662(5) ?
B2 C61 . 1.665(6) ?
Li2 F63 . 2.046(9) y
Li2 F86 2_765 2.047(9) y
Li2 F74 1_655 2.213(10) y
Li2 F85 2_765 2.231(8) y
Li2 C106 . 2.501(10) y
Li2 C104 . 2.568(10) y
Li2 C105 . 2.591(9) y
Li2 C102 . 2.674(11) y
Li2 C101 . 2.716(10) y
Li2 C103 . 2.751(11) y
C51 C56 . 1.398(6) ?
C51 C52 . 1.406(6) ?
C52 F52 . 1.368(5) ?
C52 C53 . 1.378(7) ?
C53 F53 . 1.357(6) ?
C53 C54 . 1.373(8) ?
C54 F54 . 1.357(6) ?
C54 C55 . 1.384(8) ?
C55 F55 . 1.357(6) ?
C55 C56 . 1.380(7) ?
C56 F56 . 1.366(6) ?
C61 C66 . 1.395(6) ?
C61 C62 . 1.397(6) ?
C62 F62 . 1.359(5) ?
C62 C63 . 1.386(6) ?
C63 C64 . 1.364(7) ?
C63 F63 . 1.378(5) ?
C64 F64 . 1.350(5) ?
C64 C65 . 1.400(6) ?
C65 F65 . 1.347(5) ?
C65 C66 . 1.385(6) ?
C66 F66 . 1.362(5) ?
C71 C72 . 1.387(6) ?
C71 C76 . 1.404(6) ?
C72 F72 . 1.365(4) ?
C72 C73 . 1.397(5) ?
C73 F73 . 1.345(5) ?
C73 C74 . 1.388(6) ?
C74 C75 . 1.353(6) ?
C74 F74 . 1.380(5) ?
C75 F75 . 1.354(5) ?
C75 C76 . 1.412(6) ?
C76 F76 . 1.341(5) ?
F74 Li2 1_455 2.213(10) ?
C81 C86 . 1.380(6) ?
C81 C82 . 1.416(5) ?
C82 F82 . 1.360(5) ?
C82 C83 . 1.366(6) ?
C83 F83 . 1.365(4) ?
C83 C84 . 1.385(7) ?
C84 F84 . 1.342(5) ?
C84 C85 . 1.382(6) ?
C85 F85 . 1.373(5) ?
C85 C86 . 1.382(6) ?
C86 F86 . 1.399(4) ?
F85 Li2 2_765 2.231(8) ?
F86 Li2 2_765 2.047(9) ?
C101 C105 . 1.368(9) ?
C101 C103 . 1.396(8) ?
C101 H101 . 0.9500 ?
C102 C103 . 1.381(9) ?
C102 C104 . 1.388(8) ?
C102 H102 . 0.9500 ?
C103 H103 . 0.9500 ?
C104 C106 . 1.407(8) ?
C104 H104 . 0.9500 ?
C105 C106 . 1.385(9) ?
C105 H105 . 0.9500 ?
C106 H106 . 0.9500 ?
C111 C116 . 1.411(9) ?
C111 C112 . 1.411(8) ?
C111 H111 . 0.9500 ?
C112 C113 . 1.396(9) ?
C112 H112 . 0.9500 ?
C113 C114 . 1.405(9) ?
C113 H113 . 0.9500 ?
C114 C115 . 1.400(9) ?
C114 C114 2_655 1.83(3) ?
C114 H114 . 0.9500 ?
C115 C116 . 1.400(8) ?
C115 H115 . 0.9500 ?
C116 H116 . 0.9500 ?
C121 C122 . 1.370(8) ?
C121 C125 2 1.393(8) ?
C121 C121 2 1.423(8) ?
C121 H121 . 0.9500 ?
C121 H12' . 0.9500 ?
C122 C123 . 1.407(9) ?
C122 H12' . 0.4236 ?
C122 H122 . 0.9500 ?
C123 C124 . 1.414(9) ?
C123 H123 . 0.9500 ?
C124 C125 . 1.401(8) ?
C124 H124 . 0.9500 ?
C125 C121 2 1.393(8) ?
C125 H125 . 0.9500 ?
C131 C132 . 1.413(9) ?
C131 C136 . 1.414(9) ?
C131 H131 . 0.9500 ?
C132 C133 . 1.394(8) ?
C132 H132 . 0.9500 ?
C133 C134 . 1.402(9) ?
C133 H133 . 0.9500 ?
C134 C135 . 1.400(9) ?
C134 H134 . 0.9500 ?
C135 C136 . 1.396(8) ?
C135 H135 . 0.9500 ?
C136 H136 . 0.9500 ?
C141 C141 2_566 1.404(8) ?
C141 C145 2_566 1.414(8) ?
C141 C142 . 1.418(8) ?
C141 H141 . 0.9500 ?
C141 H14' . 0.9499 ?
C142 C143 . 1.394(9) ?
C142 H14' . 0.4709 ?
C142 H142 . 0.9500 ?
C144 C145 . 1.399(9) ?
C144 C143 . 1.416(9) ?
C144 H144 . 0.9500 ?
C143 H143 . 0.9500 ?
C145 C141 2_566 1.414(8) ?
C145 H145 . 0.9500 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
C41 B1 C11 C16 . . -56.2(8)
C31 B1 C11 C16 . . -173.3(6)
C21 B1 C11 C16 . . 67.7(7)
C41 B1 C11 C12 . . 135.0(7)
C31 B1 C11 C12 . . 17.8(9)
C21 B1 C11 C12 . . -101.2(7)
C16 C11 C12 F12 . . -178.1(6)
B1 C11 C12 F12 . . -8.8(11)
C16 C11 C12 C13 . . 1.3(10)
B1 C11 C12 C13 . . 170.6(6)
F12 C12 C13 F13 . . 1.9(10)
C11 C12 C13 F13 . . -177.6(7)
F12 C12 C13 C14 . . 179.4(7)
C11 C12 C13 C14 . . -0.1(12)
F13 C13 C14 F14 . . -2.2(12)
C12 C13 C14 F14 . . -179.7(7)
F13 C13 C14 C15 . . 177.2(7)
C12 C13 C14 C15 . . -0.3(12)
C13 C14 C15 F15 . . 180.0(7)
F14 C14 C15 F15 . . -0.6(11)
C13 C14 C15 C16 . . -0.6(11)
F14 C14 C15 C16 . . 178.8(6)
C12 C11 C16 F16 . . 178.1(6)
B1 C11 C16 F16 . . 8.0(9)
C12 C11 C16 C15 . . -2.3(10)
B1 C11 C16 C15 . . -172.4(7)
F15 C15 C16 C11 . . -178.5(6)
C14 C15 C16 C11 . . 2.0(11)
F15 C15 C16 F16 . . 1.0(10)
C14 C15 C16 F16 . . -178.4(6)
C41 B1 C21 C22 . . 14.4(8)
C31 B1 C21 C22 . . 130.9(6)
C11 B1 C21 C22 . . -108.5(6)
C41 B1 C21 C26 . . -172.5(5)
C31 B1 C21 C26 . . -56.0(6)
C11 B1 C21 C26 . . 64.6(6)
C26 C21 C22 F22 . . -177.3(5)
B1 C21 C22 F22 . . -3.8(8)
C26 C21 C22 C23 . . 2.1(8)
B1 C21 C22 C23 . . 175.5(5)
F22 C22 C23 F23 . . -2.7(8)
C21 C22 C23 F23 . . 177.9(5)
F22 C22 C23 C24 . . 177.9(5)
C21 C22 C23 C24 . . -1.6(9)
F23 C23 C24 F24 . . 0.9(9)
C22 C23 C24 F24 . . -179.7(6)
F23 C23 C24 C25 . . 179.9(5)
C22 C23 C24 C25 . . -0.7(9)
F24 C24 C25 F25 . . -1.8(9)
C23 C24 C25 F25 . . 179.2(5)
F24 C24 C25 C26 . . -178.9(5)
C23 C24 C25 C26 . . 2.1(9)
C22 C21 C26 F26 . . 179.0(5)
B1 C21 C26 F26 . . 4.8(7)
C22 C21 C26 C25 . . -0.6(8)
B1 C21 C26 C25 . . -174.7(5)
F25 C25 C26 F26 . . 1.8(8)
C24 C25 C26 F26 . . 178.9(5)
F25 C25 C26 C21 . . -178.6(5)
C24 C25 C26 C21 . . -1.5(9)
C21 C22 F22 Li1 . 2_576 170.7(6)
C23 C22 F22 Li1 . 2_576 -8.7(7)
C24 C23 F23 Li1 . 2_576 -169.2(6)
C22 C23 F23 Li1 . 2_576 11.4(7)
C41 B1 C31 C32 . . 105.9(6)
C21 B1 C31 C32 . . -17.9(8)
C11 B1 C31 C32 . . -130.8(6)
C41 B1 C31 C36 . . -68.8(6)
C21 B1 C31 C36 . . 167.4(5)
C11 B1 C31 C36 . . 54.5(8)
C36 C31 C32 F32 . . 175.8(5)
B1 C31 C32 F32 . . 0.8(9)
C36 C31 C32 C33 . . -3.6(8)
B1 C31 C32 C33 . . -178.6(6)
F32 C32 C33 F33 . . 3.3(8)
C31 C32 C33 F33 . . -177.3(5)
F32 C32 C33 C34 . . -178.1(5)
C31 C32 C33 C34 . . 1.4(9)
F33 C33 C34 F34 . . -0.7(7)
C32 C33 C34 F34 . . -179.4(5)
F33 C33 C34 C35 . . -179.7(5)
C32 C33 C34 C35 . . 1.6(8)
F34 C34 C35 F35 . . 0.2(8)
C33 C34 C35 F35 . . 179.2(5)
F34 C34 C35 C36 . . 179.0(5)
C33 C34 C35 C36 . . -2.0(8)
C34 C35 C36 F36 . . 179.7(5)
F35 C35 C36 F36 . . -1.5(7)
C34 C35 C36 C31 . . -0.4(8)
F35 C35 C36 C31 . . 178.4(5)
C32 C31 C36 F36 . . -177.0(5)
B1 C31 C36 F36 . . -1.6(8)
C32 C31 C36 C35 . . 3.1(8)
B1 C31 C36 C35 . . 178.5(5)
C34 C33 F33 Li1 . . 133.7(7)
C32 C33 F33 Li1 . . -47.7(9)
F22 Li1 F33 C33 2_576 . 31.2(12)
F23 Li1 F33 C33 2_576 . -32.5(8)
F44 Li1 F33 C33 1_455 . 101.3(7)
C95 Li1 F33 C33 . . -168.6(6)
C94 Li1 F33 C33 . . -122.5(10)
C96 Li1 F33 C33 . . -173.2(5)
C93 Li1 F33 C33 . . -106.1(8)
C91 Li1 F33 C33 . . -151.0(6)
C92 Li1 F33 C33 . . -121.0(6)
C31 B1 C41 C42 . . 104.7(6)
C21 B1 C41 C42 . . -134.2(6)
C11 B1 C41 C42 . . -18.5(8)
C31 B1 C41 C46 . . -67.4(6)
C21 B1 C41 C46 . . 53.7(7)
C11 B1 C41 C46 . . 169.4(5)
C46 C41 C42 C43 . . -3.6(8)
B1 C41 C42 C43 . . -176.1(6)
C46 C41 C42 F42 . . 177.0(5)
B1 C41 C42 F42 . . 4.4(9)
C41 C42 C43 F43 . . 178.4(5)
F42 C42 C43 F43 . . -2.1(8)
C41 C42 C43 C44 . . 2.3(9)
F42 C42 C43 C44 . . -178.2(5)
F43 C43 C44 F44 . . 4.1(8)
C42 C43 C44 F44 . . -179.6(5)
F43 C43 C44 C45 . . -177.2(5)
C42 C43 C44 C45 . . -0.9(8)
F44 C44 C45 F45 . . -0.7(8)
C43 C44 C45 F45 . . -179.3(5)
F44 C44 C45 C46 . . 179.9(5)
C43 C44 C45 C46 . . 1.3(8)
C44 C45 C46 F46 . . 177.8(5)
F45 C45 C46 F46 . . -1.6(8)
C44 C45 C46 C41 . . -3.0(9)
F45 C45 C46 C41 . . 177.7(5)
C42 C41 C46 F46 . . -176.9(5)
B1 C41 C46 F46 . . -3.6(8)
C42 C41 C46 C45 . . 3.8(8)
B1 C41 C46 C45 . . 177.1(5)
C45 C44 F44 Li1 . 1_655 83.8(10)
C43 C44 F44 Li1 . 1_655 -97.6(9)
F33 Li1 C91 C96 . . -133.4(6)
F22 Li1 C91 C96 2_576 . 43.0(14)
F23 Li1 C91 C96 2_576 . 148.9(7)
F44 Li1 C91 C96 1_455 . -51.7(6)
C95 Li1 C91 C96 . . 31.3(5)
C94 Li1 C91 C96 . . 66.0(5)
C93 Li1 C91 C96 . . 99.8(6)
C92 Li1 C91 C96 . . 129.0(8)
F33 Li1 C91 C92 . . 97.6(8)
F22 Li1 C91 C92 2_576 . -86.0(16)
F23 Li1 C91 C92 2_576 . 19.9(8)
F44 Li1 C91 C92 1_455 . 179.3(8)
C95 Li1 C91 C92 . . -97.7(7)
C94 Li1 C91 C92 . . -63.0(7)
C96 Li1 C91 C92 . . -129.0(8)
C93 Li1 C91 C92 . . -29.2(6)
C96 C91 C92 C93 . . 1.0(16)
Li1 C91 C92 C93 . . 58.8(11)
C96 C91 C92 Li1 . . -57.8(9)
F33 Li1 C92 C93 . . 152.2(10)
F22 Li1 C92 C93 2_576 . 5.7(14)
F23 Li1 C92 C93 2_576 . 69.1(8)
F44 Li1 C92 C93 1_455 . -129.5(11)
C95 Li1 C92 C93 . . -63.9(8)
C94 Li1 C92 C93 . . -29.0(7)
C96 Li1 C92 C93 . . -99.5(9)
C91 Li1 C92 C93 . . -128.6(12)
F33 Li1 C92 C91 . . -79.3(7)
F22 Li1 C92 C91 2_576 . 134.3(11)
F23 Li1 C92 C91 2_576 . -162.3(7)
F44 Li1 C92 C91 1_455 . -0.9(11)
C95 Li1 C92 C91 . . 64.7(7)
C94 Li1 C92 C91 . . 99.6(8)
C96 Li1 C92 C91 . . 29.1(6)
C93 Li1 C92 C91 . . 128.6(12)
C91 C92 C93 C94 . . -1.9(17)
Li1 C92 C93 C94 . . 57.4(10)
C91 C92 C93 Li1 . . -59.3(10)
F33 Li1 C93 C94 . . -159.7(8)
F22 Li1 C93 C94 2_576 . 54.9(8)
F23 Li1 C93 C94 2_576 . 123.5(6)
F44 Li1 C93 C94 1_455 . -39.8(12)
C95 Li1 C93 C94 . . -30.8(5)
C96 Li1 C93 C94 . . -66.2(6)
C91 Li1 C93 C94 . . -100.1(8)
C92 Li1 C93 C94 . . -129.2(11)
F33 Li1 C93 C92 . . -30.5(10)
F22 Li1 C93 C92 2_576 . -176.0(10)
F23 Li1 C93 C92 2_576 . -107.3(9)
F44 Li1 C93 C92 1_455 . 89.3(13)
C95 Li1 C93 C92 . . 98.4(9)
C94 Li1 C93 C92 . . 129.2(11)
C96 Li1 C93 C92 . . 62.9(8)
C91 Li1 C93 C92 . . 29.1(8)
C92 C93 C94 C95 . . 2.5(15)
Li1 C93 C94 C95 . . 63.4(8)
C92 C93 C94 Li1 . . -60.8(11)
F33 Li1 C94 C95 . . -95.8(12)
F22 Li1 C94 C95 2_576 . 104.9(6)
F23 Li1 C94 C95 2_576 . 178.6(6)
F44 Li1 C94 C95 1_455 . 30.2(7)
C96 Li1 C94 C95 . . -30.1(5)
C93 Li1 C94 C95 . . -126.4(8)
C91 Li1 C94 C95 . . -64.2(5)
C92 Li1 C94 C95 . . -97.6(6)
F33 Li1 C94 C93 . . 30.6(12)
F22 Li1 C94 C93 2_576 . -128.7(7)
F23 Li1 C94 C93 2_576 . -55.0(6)
F44 Li1 C94 C93 1_455 . 156.6(8)
C95 Li1 C94 C93 . . 126.4(8)
C96 Li1 C94 C93 . . 96.3(6)
C91 Li1 C94 C93 . . 62.2(6)
C92 Li1 C94 C93 . . 28.7(6)
C93 C94 C95 C96 . . -2.2(12)
Li1 C94 C95 C96 . . 64.2(7)
C93 C94 C95 Li1 . . -66.4(9)
F33 Li1 C95 C94 . . 119.3(9)
F22 Li1 C95 C94 2_576 . -76.5(6)
F23 Li1 C95 C94 2_576 . -1.7(8)
F44 Li1 C95 C94 1_455 . -154.6(6)
C96 Li1 C95 C94 . . 127.9(8)
C93 Li1 C95 C94 . . 30.2(5)
C91 Li1 C95 C94 . . 97.8(6)
C92 Li1 C95 C94 . . 64.1(5)
F33 Li1 C95 C96 . . -8.5(10)
F22 Li1 C95 C96 2_576 . 155.6(7)
F23 Li1 C95 C96 2_576 . -129.6(8)
F44 Li1 C95 C96 1_455 . 77.6(6)
C94 Li1 C95 C96 . . -127.9(8)
C93 Li1 C95 C96 . . -97.6(6)
C91 Li1 C95 C96 . . -30.0(5)
C92 Li1 C95 C96 . . -63.8(6)
C92 C91 C96 C95 . . -0.7(13)
Li1 C91 C96 C95 . . -61.0(7)
C92 C91 C96 Li1 . . 60.4(10)
C94 C95 C96 C91 . . 1.3(12)
Li1 C95 C96 C91 . . 64.8(8)
C94 C95 C96 Li1 . . -63.5(7)
F33 Li1 C96 C91 . . 47.5(6)
F22 Li1 C96 C91 2_576 . -156.3(8)
F23 Li1 C96 C91 2_576 . -47.1(9)
F44 Li1 C96 C91 1_455 . 131.2(5)
C95 Li1 C96 C91 . . -126.2(8)
C94 Li1 C96 C91 . . -96.7(6)
C93 Li1 C96 C91 . . -62.4(5)
C92 Li1 C96 C91 . . -28.8(5)
F33 Li1 C96 C95 . . 173.8(7)
F22 Li1 C96 C95 2_576 . -30.0(8)
F23 Li1 C96 C95 2_576 . 79.1(10)
F44 Li1 C96 C95 1_455 . -102.6(6)
C94 Li1 C96 C95 . . 29.6(5)
C93 Li1 C96 C95 . . 63.8(5)
C91 Li1 C96 C95 . . 126.2(8)
C92 Li1 C96 C95 . . 97.4(6)
C81 B2 C51 C56 . . -68.0(4)
C71 B2 C51 C56 . . 54.7(5)
C61 B2 C51 C56 . . 172.2(3)
C81 B2 C51 C52 . . 101.1(5)
C71 B2 C51 C52 . . -136.2(4)
C61 B2 C51 C52 . . -18.8(6)
C56 C51 C52 F52 . . 179.5(4)
B2 C51 C52 F52 . . 9.8(6)
C56 C51 C52 C53 . . 0.2(6)
B2 C51 C52 C53 . . -169.5(4)
F52 C52 C53 F53 . . -0.6(7)
C51 C52 C53 F53 . . 178.8(4)
F52 C52 C53 C54 . . 178.9(4)
C51 C52 C53 C54 . . -1.7(8)
F53 C53 C54 F54 . . -0.1(8)
C52 C53 C54 F54 . . -179.6(5)
F53 C53 C54 C55 . . -178.9(5)
C52 C53 C54 C55 . . 1.6(8)
F54 C54 C55 F55 . . 0.3(8)
C53 C54 C55 F55 . . 179.1(5)
F54 C54 C55 C56 . . -179.0(5)
C53 C54 C55 C56 . . -0.2(8)
F55 C55 C56 F56 . . -2.3(7)
C54 C55 C56 F56 . . 177.0(4)
F55 C55 C56 C51 . . 179.4(4)
C54 C55 C56 C51 . . -1.4(8)
C52 C51 C56 F56 . . -177.0(4)
B2 C51 C56 F56 . . -6.3(6)
C52 C51 C56 C55 . . 1.4(6)
B2 C51 C56 C55 . . 172.0(4)
C51 B2 C61 C66 . . -53.9(5)
C81 B2 C61 C66 . . -167.2(3)
C71 B2 C61 C66 . . 69.9(4)
C51 B2 C61 C62 . . 130.4(4)
C81 B2 C61 C62 . . 17.1(5)
C71 B2 C61 C62 . . -105.8(4)
C66 C61 C62 F62 . . -176.0(3)
B2 C61 C62 F62 . . -0.1(6)
C66 C61 C62 C63 . . 3.6(6)
B2 C61 C62 C63 . . 179.5(4)
F62 C62 C63 C64 . . 177.3(4)
C61 C62 C63 C64 . . -2.4(7)
F62 C62 C63 F63 . . -2.0(5)
C61 C62 C63 F63 . . 178.4(3)
F63 C63 C64 F64 . . -0.7(7)
C62 C63 C64 F64 . . 180.0(4)
F63 C63 C64 C65 . . 179.7(4)
C62 C63 C64 C65 . . 0.5(7)
F64 C64 C65 F65 . . 1.9(7)
C63 C64 C65 F65 . . -178.6(4)
F64 C64 C65 C66 . . -179.6(4)
C63 C64 C65 C66 . . -0.1(7)
F65 C65 C66 F66 . . -0.3(6)
C64 C65 C66 F66 . . -178.8(4)
F65 C65 C66 C61 . . -179.9(4)
C64 C65 C66 C61 . . 1.7(7)
C62 C61 C66 F66 . . 177.2(3)
B2 C61 C66 F66 . . 0.9(5)
C62 C61 C66 C65 . . -3.3(6)
B2 C61 C66 C65 . . -179.5(4)
C64 C63 F63 Li2 . . -133.1(5)
C62 C63 F63 Li2 . . 46.2(7)
F86 Li2 F63 C63 2_765 . -30.9(9)
F74 Li2 F63 C63 1_655 . -101.3(5)
F85 Li2 F63 C63 2_765 . 33.3(6)
C106 Li2 F63 C63 . . 169.3(5)
C104 Li2 F63 C63 . . 122.8(6)
C105 Li2 F63 C63 . . 172.8(4)
C102 Li2 F63 C63 . . 106.6(5)
C101 Li2 F63 C63 . . 150.7(4)
C103 Li2 F63 C63 . . 121.4(5)
C51 B2 C71 C72 . . -169.0(4)
C81 B2 C71 C72 . . -54.0(5)
C61 B2 C71 C72 . . 67.2(5)
C51 B2 C71 C76 . . 18.2(6)
C81 B2 C71 C76 . . 133.2(4)
C61 B2 C71 C76 . . -105.5(4)
C76 C71 C72 F72 . . 177.6(4)
B2 C71 C72 F72 . . 4.0(6)
C76 C71 C72 C73 . . -2.5(6)
B2 C71 C72 C73 . . -176.0(4)
F72 C72 C73 F73 . . 2.2(6)
C71 C72 C73 F73 . . -177.8(4)
F72 C72 C73 C74 . . -178.8(4)
C71 C72 C73 C74 . . 1.3(7)
F73 C73 C74 C75 . . -180.0(4)
C72 C73 C74 C75 . . 1.0(6)
F73 C73 C74 F74 . . -1.1(6)
C72 C73 C74 F74 . . 179.9(4)
F74 C74 C75 F75 . . -1.6(6)
C73 C74 C75 F75 . . 177.2(4)
F74 C74 C75 C76 . . 179.3(4)
C73 C74 C75 C76 . . -1.8(7)
C72 C71 C76 F76 . . -176.0(4)
B2 C71 C76 F76 . . -2.9(7)
C72 C71 C76 C75 . . 1.6(6)
B2 C71 C76 C75 . . 174.7(4)
C74 C75 C76 F76 . . 178.2(4)
F75 C75 C76 F76 . . -0.9(6)
C74 C75 C76 C71 . . 0.5(7)
F75 C75 C76 C71 . . -178.6(4)
C75 C74 F74 Li2 . 1_455 94.9(7)
C73 C74 F74 Li2 . 1_455 -84.0(7)
C51 B2 C81 C86 . . 108.4(4)
C71 B2 C81 C86 . . -14.1(6)
C61 B2 C81 C86 . . -130.3(4)
C51 B2 C81 C82 . . -65.0(4)
C71 B2 C81 C82 . . 172.4(4)
C61 B2 C81 C82 . . 56.3(5)
C86 C81 C82 F82 . . -179.0(4)
B2 C81 C82 F82 . . -4.5(6)
C86 C81 C82 C83 . . 2.3(6)
B2 C81 C82 C83 . . 176.9(4)
F82 C82 C83 F83 . . 1.3(6)
C81 C82 C83 F83 . . 180.0(4)
F82 C82 C83 C84 . . 179.3(4)
C81 C82 C83 C84 . . -2.0(7)
F83 C83 C84 F84 . . -1.8(6)
C82 C83 C84 F84 . . -179.9(4)
F83 C83 C84 C85 . . 179.3(4)
C82 C83 C84 C85 . . 1.2(6)
F84 C84 C85 F85 . . 0.0(6)
C83 C84 C85 F85 . . 178.9(4)
F84 C84 C85 C86 . . 180.0(4)
C83 C84 C85 C86 . . -1.1(6)
C82 C81 C86 C85 . . -2.2(6)
B2 C81 C86 C85 . . -176.0(4)
C82 C81 C86 F86 . . 177.6(3)
B2 C81 C86 F86 . . 3.7(6)
F85 C85 C86 C81 . . -178.2(4)
C84 C85 C86 C81 . . 1.8(6)
F85 C85 C86 F86 . . 2.0(5)
C84 C85 C86 F86 . . -178.0(3)
C84 C85 F85 Li2 . 2_765 168.8(4)
C86 C85 F85 Li2 . 2_765 -11.2(5)
C81 C86 F86 Li2 . 2_765 -169.9(4)
C85 C86 F86 Li2 . 2_765 9.9(5)
F63 Li2 C101 C105 . . 132.3(5)
F86 Li2 C101 C105 2_765 . -45.0(10)
F74 Li2 C101 C105 1_655 . 51.1(4)
F85 Li2 C101 C105 2_765 . -150.8(5)
C106 Li2 C101 C105 . . -31.0(3)
C104 Li2 C101 C105 . . -67.4(4)
C102 Li2 C101 C105 . . -101.7(4)
C103 Li2 C101 C105 . . -129.9(5)
F63 Li2 C101 C103 . . -97.8(4)
F86 Li2 C101 C103 2_765 . 85.0(10)
F74 Li2 C101 C103 1_655 . -179.0(5)
F85 Li2 C101 C103 2_765 . -20.9(5)
C106 Li2 C101 C103 . . 98.9(4)
C104 Li2 C101 C103 . . 62.5(4)
C105 Li2 C101 C103 . . 129.9(5)
C102 Li2 C101 C103 . . 28.2(3)
F63 Li2 C102 C103 . . 31.4(4)
F86 Li2 C102 C103 2_765 . 176.5(4)
F74 Li2 C102 C103 1_655 . -85.6(8)
F85 Li2 C102 C103 2_765 . 107.3(4)
C106 Li2 C102 C103 . . -96.6(4)
C104 Li2 C102 C103 . . -127.9(5)
C105 Li2 C102 C103 . . -61.2(4)
C101 Li2 C102 C103 . . -28.4(3)
F63 Li2 C102 C104 . . 159.3(5)
F86 Li2 C102 C104 2_765 . -55.6(4)
F74 Li2 C102 C104 1_655 . 42.3(8)
F85 Li2 C102 C104 2_765 . -124.7(4)
C106 Li2 C102 C104 . . 31.3(3)
C105 Li2 C102 C104 . . 66.7(4)
C101 Li2 C102 C104 . . 99.6(4)
C103 Li2 C102 C104 . . 127.9(5)
C104 C102 C103 C101 . . -0.6(8)
Li2 C102 C103 C101 . . 58.5(5)
C104 C102 C103 Li2 . . -59.1(5)
C105 C101 C103 C102 . . -0.9(8)
Li2 C101 C103 C102 . . -57.7(5)
C105 C101 C103 Li2 . . 56.8(5)
F63 Li2 C103 C102 . . -151.1(4)
F86 Li2 C103 C102 2_765 . -5.0(6)
F74 Li2 C103 C102 1_655 . 131.2(6)
F85 Li2 C103 C102 2_765 . -69.0(4)
C106 Li2 C103 C102 . . 66.2(4)
C104 Li2 C103 C102 . . 30.0(3)
C105 Li2 C103 C102 . . 101.4(4)
C101 Li2 C103 C102 . . 129.8(5)
F63 Li2 C103 C101 . . 79.1(4)
F86 Li2 C103 C101 2_765 . -134.8(6)
F74 Li2 C103 C101 1_655 . 1.4(6)
F85 Li2 C103 C101 2_765 . 161.2(4)
C106 Li2 C103 C101 . . -63.6(4)
C104 Li2 C103 C101 . . -99.8(4)
C105 Li2 C103 C101 . . -28.3(3)
C102 Li2 C103 C101 . . -129.8(5)
C103 C102 C104 C106 . . 2.2(8)
Li2 C102 C104 C106 . . -60.9(5)
C103 C102 C104 Li2 . . 63.1(5)
F63 Li2 C104 C102 . . -30.6(7)
F86 Li2 C104 C102 2_765 . 128.6(4)
F74 Li2 C104 C102 1_655 . -155.4(5)
F85 Li2 C104 C102 2_765 . 53.8(4)
C106 Li2 C104 C102 . . -126.6(5)
C105 Li2 C104 C102 . . -95.5(4)
C101 Li2 C104 C102 . . -61.9(3)
C103 Li2 C104 C102 . . -28.9(3)
F63 Li2 C104 C106 . . 95.9(7)
F86 Li2 C104 C106 2_765 . -104.8(5)
F74 Li2 C104 C106 1_655 . -28.8(5)
F85 Li2 C104 C106 2_765 . -179.6(5)
C105 Li2 C104 C106 . . 31.1(4)
C102 Li2 C104 C106 . . 126.6(5)
C101 Li2 C104 C106 . . 64.7(4)
C103 Li2 C104 C106 . . 97.7(4)
C103 C101 C105 C106 . . 0.9(8)
Li2 C101 C105 C106 . . 60.8(5)
C103 C101 C105 Li2 . . -60.0(5)
F63 Li2 C105 C101 . . -48.4(5)
F86 Li2 C105 C101 2_765 . 155.2(6)
F74 Li2 C105 C101 1_655 . -131.8(4)
F85 Li2 C105 C101 2_765 . 43.1(7)
C106 Li2 C105 C101 . . 126.9(5)
C104 Li2 C105 C101 . . 95.1(4)
C102 Li2 C105 C101 . . 60.7(4)
C103 Li2 C105 C101 . . 28.2(3)
F63 Li2 C105 C106 . . -175.2(5)
F86 Li2 C105 C106 2_765 . 28.4(6)
F74 Li2 C105 C106 1_655 . 101.4(4)
F85 Li2 C105 C106 2_765 . -83.8(7)
C104 Li2 C105 C106 . . -31.7(3)
C102 Li2 C105 C106 . . -66.2(4)
C101 Li2 C105 C106 . . -126.9(5)
C103 Li2 C105 C106 . . -98.7(4)
C101 C105 C106 C104 . . 0.7(8)
Li2 C105 C106 C104 . . 66.4(5)
C101 C105 C106 Li2 . . -65.7(5)
C102 C104 C106 C105 . . -2.2(8)
Li2 C104 C106 C105 . . -67.1(5)
C102 C104 C106 Li2 . . 64.9(5)
F63 Li2 C106 C105 . . 6.4(7)
F86 Li2 C106 C105 2_765 . -157.3(5)
F74 Li2 C106 C105 1_655 . -78.9(4)
F85 Li2 C106 C105 2_765 . 125.7(6)
C104 Li2 C106 C105 . . 125.2(5)
C102 Li2 C106 C105 . . 95.4(4)
C101 Li2 C106 C105 . . 29.3(3)
C103 Li2 C106 C105 . . 62.3(4)
F63 Li2 C106 C104 . . -118.8(7)
F86 Li2 C106 C104 2_765 . 77.5(4)
F74 Li2 C106 C104 1_655 . 156.0(4)
F85 Li2 C106 C104 2_765 . 0.5(6)
C105 Li2 C106 C104 . . -125.2(5)
C102 Li2 C106 C104 . . -29.8(3)
C101 Li2 C106 C104 . . -95.9(4)
C103 Li2 C106 C104 . . -62.8(4)
C116 C111 C112 C113 . . -1.2(18)
C111 C112 C113 C114 . . 0.3(19)
C112 C113 C114 C115 . . 1(3)
C112 C113 C114 C114 . 2_655 176(4)
C113 C114 C115 C116 . . -1(4)
C114 C114 C115 C116 2_655 . -178(2)
C114 C115 C116 C111 . . 0(3)
C112 C111 C116 C115 . . 1(3)
C125 C121 C122 C123 2 . 176.8(16)
C121 C121 C122 C123 2 . 0.0(17)
C121 C122 C123 C124 . . -2.2(18)
C122 C123 C124 C125 . . 8(3)
C123 C124 C125 C121 . 2 -11(3)
C136 C131 C132 C133 . . 0.7(18)
C131 C132 C133 C134 . . -0.8(18)
C132 C133 C134 C135 . . 2(3)
C133 C134 C135 C136 . . -3(3)
C134 C135 C136 C131 . . 3(3)
C132 C131 C136 C135 . . -2(3)
C141 C141 C142 C143 2_566 . -2.0(17)
C145 C141 C142 C143 2_566 . 177.3(17)
C141 C142 C143 C144 . . 3(2)
C145 C144 C143 C142 . . -2(2)
C143 C144 C145 C141 . 2_566 -1(3)
