Lithium–tetra­kis­(penta­fluoro­phen­yl)borate–­benzene (1/1/2)

The title compound, Li⁺·C₂₄BF₂₀⁻·2C₆H₆, crystallizes as centrosymmetric dimers, with two η⁶-coordinated and two uncoordinated mol­ecules of benzene per dimer. There are two crystallographically independent dimers.

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean [sigma](C-C) = 0.009 Å
• Disorder in main residue
• R factor = 0.094
• wR factor = 0.246
• Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT213_ALERT_2_A Atom F83     has ADP max/min Ratio .............       5.70 oblate

Author Response: The displacement ellipsoid of this F atom is elongated, but no model for disorder could be found.

PLAT213_ALERT_2_A Atom C83     has ADP max/min Ratio .............       9.40 prolat

Author Response: The displacement ellipsoid of this F atom is elongated, but no model for disorder could be found.

PLAT305_ALERT_2_A Isolated Hydrogen Atom (Outside Bond Range ??)        <H123

Author Response: This atom belongs to a disordered benzene ring.

PLAT773_ALERT_2_A Suspect C-C Bond in CIF:      C114   -C114    ..       1.83 Ang.

Author Response: This atom belongs to a disordered benzene ring and is not fully occupied.

Alert level B
DIFMX01_ALERT_2_B  The maximum difference density is > 0.1*ZMAX*1.00
            _refine_diff_density_max given =      1.102
            Test value =      0.900
PLAT097_ALERT_2_B Maximum (Positive) Residual Density ............       1.10 e/A   3
PLAT110_ALERT_2_B ADDSYM Detects Potential Lattice Centering or Halving .   ?
PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) .......          6
PLAT213_ALERT_2_B Atom F74     has ADP max/min Ratio .............       4.80 oblate

Author Response: The displacement ellipsoid of this F atom is elongated, but no model for disorder could be found.

PLAT213_ALERT_2_B Atom C75     has ADP max/min Ratio .............       4.80 oblate

Author Response: The displacement ellipsoid of this F atom is elongated, but no model for disorder could be found.

PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for       C113
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for       C112
PLAT250_ALERT_2_B Large U3/U1 Ratio for Average U(i,j) Tensor ....       4.22
PLAT432_ALERT_2_B Short Inter X...Y Contact  F13    ..  C115    ..       2.71 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact  C13    ..  C125    ..       3.06 Ang.

Alert level C
DIFMN02_ALERT_2_C  The minimum difference density is < -0.1*ZMAX*0.75
            _refine_diff_density_min given =     -0.711
            Test value =     -0.675
DIFMN03_ALERT_1_C  The minimum difference density is < -0.1*ZMAX*0.75
            The relevant atom site should be identified.
DIFMX02_ALERT_1_C  The minimum difference density is > 0.1*ZMAX*0.75
            The relevant atom site should be identified.
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.100
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT098_ALERT_2_C Minimum (Negative) Residual Density ............      -0.71 e/A   3
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent .........          8
PLAT213_ALERT_2_C Atom F14     has ADP max/min Ratio .............       3.80 prolat

Author Response: The displacement ellipsoid of this F atom is elongated, but no model for disorder could be found.

PLAT213_ALERT_2_C Atom C14     has ADP max/min Ratio .............       4.00 prolat

Author Response: The displacement ellipsoid of this F atom is elongated, but no model for disorder could be found.

PLAT213_ALERT_2_C Atom F54     has ADP max/min Ratio .............       3.40 oblate

Author Response: The displacement ellipsoid of this F atom is elongated, but no model for disorder could be found.

PLAT213_ALERT_2_C Atom F75     has ADP max/min Ratio .............       4.00 oblate

Author Response: The displacement ellipsoid of this F atom is elongated, but no model for disorder could be found.

PLAT220_ALERT_2_C Large Non-Solvent    F     Ueq(max)/Ueq(min) ...       2.59 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.81 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    F     Ueq(max)/Ueq(min) ...       3.02 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C111
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C115
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for       C131
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for       C132
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for       C134
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for       C144
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for       C123
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       C133
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       C136
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       C143
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       C122
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.74
PLAT301_ALERT_3_C Main Residue  Disorder .........................       2.00 Perc.
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      39.00 Perc.
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9
PLAT432_ALERT_2_C Short Inter X...Y Contact  C92    ..  C135    ..       3.12 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact  C106   ..  C113    ..       3.18 Ang.
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.15 Ratio
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      24.30 Deg.
              C114 -C114 -H114    2.655   1.555   1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       2.50 Deg.
              C125 -C121 -H121    2.555   1.555   1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       2.60 Deg.
              C122 -C121 -H12'    1.555   1.555   1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       5.90 Deg.
              C121 -C122 -H12'    1.555   1.555   1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       0.20 Deg.
              C145 -C141 -H141    2.566   1.555   1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       2.30 Deg.
              C142 -C141 -H14'    1.555   1.555   1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       4.70 Deg.
              C141 -C142 -H14'    1.555   1.555   1.555

   4 ALERT level A = In general: serious problem
  11 ALERT level B = Potentially serious problem
  42 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  36 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
  12 ALERT type 4 Improvement, methodology, query or suggestion

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Computing details

Data collection: X-AREA (Stoe & Cie, 2001); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL-Plus (Sheldrick, 1991); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2003).

Lithium–tetrakis(pentafluorophenyl)borate–benzene (1/1/2)

Crystal data

Li^+·C24BF20^−·2C6H6	Z = 4
Mr = 842.21	F(000) = 1664
Triclinic, P1	Dx = 1.658 Mg m^−3
a = 10.1025 (6) Å	Mo Kα radiation, λ = 0.71073 Å
b = 17.3954 (11) Å	Cell parameters from 81347 reflections
c = 20.3856 (13) Å	θ = 3.6–25.5°
α = 102.267 (5)°	µ = 0.17 mm^−1
β = 103.752 (5)°	T = 173 K
γ = 93.744 (5)°	Block, colourless
V = 3375.0 (4) Å^3	0.39 × 0.37 × 0.34 mm

Data collection

Stoe IPDS-II two-circle diffractometer	8647 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.100
Graphite monochromator	θmax = 25.4°, θmin = 3.6°
ω scans	h = −12→12
71332 measured reflections	k = −20→20
12200 independent reflections	l = −24→24

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.094	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.246	H-atom parameters constrained
S = 1.08	w = 1/[σ^2(Fo^2) + (0.0711P)^2 + 17.0328P] where P = (Fo^2 + 2Fc^2)/3
12200 reflections	(Δ/σ)max < 0.001
1027 parameters	Δρmax = 1.10 e Å^−3
72 restraints	Δρmin = −0.71 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
B1	0.0467 (8)	1.0143 (4)	0.3246 (3)	0.0418 (16)
Li1	−0.3132 (15)	0.8008 (8)	0.4378 (6)	0.061 (3)
C11	0.0377 (8)	1.0650 (4)	0.2627 (4)	0.0511 (17)
C12	−0.0647 (9)	1.0517 (4)	0.2014 (4)	0.0590 (19)
C13	−0.0761 (11)	1.1041 (5)	0.1563 (4)	0.072 (3)
C14	0.0153 (13)	1.1702 (5)	0.1724 (5)	0.085 (3)
C15	0.1190 (11)	1.1867 (4)	0.2330 (5)	0.074 (3)
C16	0.1244 (9)	1.1338 (4)	0.2760 (4)	0.0568 (19)
F12	−0.1622 (5)	0.9887 (2)	0.1802 (2)	0.0651 (12)
F13	−0.1810 (8)	1.0896 (3)	0.0986 (3)	0.107 (2)
F14	0.0065 (8)	1.2216 (3)	0.1304 (3)	0.117 (3)
F15	0.2121 (7)	1.2519 (3)	0.2509 (3)	0.097 (2)
F16	0.2283 (5)	1.1539 (2)	0.3372 (3)	0.0679 (13)
C21	−0.0100 (7)	1.0771 (3)	0.3831 (3)	0.0376 (13)
C22	0.0647 (7)	1.1227 (3)	0.4472 (3)	0.0436 (14)
C23	0.0104 (8)	1.1774 (4)	0.4906 (3)	0.0478 (16)
C24	−0.1234 (8)	1.1909 (3)	0.4707 (3)	0.0478 (16)
C25	−0.2033 (7)	1.1496 (3)	0.4063 (3)	0.0426 (14)
C26	−0.1446 (7)	1.0938 (3)	0.3652 (3)	0.0400 (14)
F22	0.2014 (4)	1.1178 (2)	0.47336 (18)	0.0474 (8)
F23	0.0933 (5)	1.2167 (2)	0.55341 (18)	0.0627 (11)
F24	−0.1768 (6)	1.2444 (3)	0.5126 (2)	0.0773 (14)
F25	−0.3354 (5)	1.1608 (2)	0.3856 (2)	0.0589 (10)
F26	−0.2301 (4)	1.0549 (2)	0.30344 (19)	0.0500 (9)
C31	−0.0521 (6)	0.9272 (3)	0.2976 (3)	0.0380 (13)
C32	−0.1436 (6)	0.8985 (3)	0.3303 (3)	0.0378 (13)
C33	−0.2212 (6)	0.8243 (3)	0.3056 (3)	0.0355 (12)
C34	−0.2075 (6)	0.7733 (3)	0.2457 (3)	0.0368 (13)
C35	−0.1142 (6)	0.7975 (3)	0.2135 (3)	0.0384 (13)
C36	−0.0391 (6)	0.8717 (3)	0.2389 (3)	0.0363 (12)
F32	−0.1648 (4)	0.94083 (19)	0.39038 (17)	0.0481 (9)
F33	−0.3145 (4)	0.8006 (2)	0.33879 (18)	0.0461 (8)
F34	−0.2839 (4)	0.7017 (2)	0.22181 (19)	0.0523 (9)
F35	−0.0968 (4)	0.7483 (2)	0.15495 (17)	0.0491 (9)
F36	0.0529 (4)	0.8919 (2)	0.20426 (17)	0.0458 (8)
C41	0.2010 (7)	0.9893 (3)	0.3538 (3)	0.0419 (14)
C42	0.3089 (7)	0.9859 (3)	0.3233 (3)	0.0414 (14)
C43	0.4332 (7)	0.9606 (3)	0.3472 (3)	0.0432 (14)
C44	0.4537 (7)	0.9324 (3)	0.4084 (3)	0.0423 (14)
C45	0.3504 (7)	0.9326 (3)	0.4409 (3)	0.0425 (14)
C46	0.2276 (7)	0.9583 (3)	0.4141 (3)	0.0420 (14)
F42	0.2967 (4)	1.0103 (2)	0.26214 (19)	0.0535 (9)
F43	0.5319 (4)	0.9576 (2)	0.3131 (2)	0.0581 (10)
F44	0.5753 (4)	0.9075 (2)	0.4337 (2)	0.0543 (9)
F45	0.3703 (4)	0.9061 (2)	0.50045 (19)	0.0543 (10)
F46	0.1283 (4)	0.9542 (2)	0.44815 (18)	0.0483 (9)
C91	−0.5012 (12)	0.6729 (5)	0.3741 (5)	0.094 (4)
H91	−0.5513	0.6614	0.3267	0.113*
C92	−0.3770 (14)	0.6403 (6)	0.3938 (5)	0.109 (4)
H92	−0.3424	0.6074	0.3598	0.131*
C93	−0.3049 (13)	0.6571 (5)	0.4649 (4)	0.094 (4)
H93	−0.2230	0.6343	0.4788	0.113*
C94	−0.3537 (9)	0.7070 (4)	0.5141 (4)	0.064 (2)
H94	−0.3031	0.7198	0.5615	0.076*
C95	−0.4745 (8)	0.7377 (4)	0.4948 (4)	0.063 (2)
H95	−0.5082	0.7702	0.5294	0.075*
C96	−0.5498 (9)	0.7221 (5)	0.4248 (4)	0.069 (2)
H96	−0.6324	0.7448	0.4120	0.083*
B2	0.9549 (4)	0.4862 (3)	0.1756 (2)	0.0140 (9)
Li2	1.3137 (8)	0.6983 (6)	0.0605 (5)	0.0322 (19)
C51	0.9629 (4)	0.4362 (2)	0.2366 (2)	0.0157 (8)
C52	1.0655 (4)	0.4473 (3)	0.2991 (2)	0.0206 (9)
C53	1.0774 (5)	0.3959 (3)	0.3426 (3)	0.0325 (12)
C54	0.9832 (6)	0.3299 (3)	0.3268 (3)	0.0348 (12)
C55	0.8791 (5)	0.3149 (3)	0.2660 (3)	0.0326 (12)
C56	0.8729 (4)	0.3669 (3)	0.2232 (3)	0.0231 (9)
F52	1.1631 (3)	0.51194 (16)	0.32004 (14)	0.0262 (6)
F53	1.1812 (3)	0.4105 (2)	0.40151 (16)	0.0443 (8)
F54	0.9946 (4)	0.2797 (2)	0.3701 (2)	0.0557 (10)
F55	0.7869 (4)	0.2490 (2)	0.2497 (2)	0.0521 (10)
F56	0.7715 (3)	0.34643 (16)	0.16252 (16)	0.0303 (6)
C61	1.0530 (4)	0.5733 (2)	0.2024 (2)	0.0133 (8)
C62	1.1459 (4)	0.6021 (2)	0.1698 (2)	0.0154 (8)
C63	1.2233 (4)	0.6759 (3)	0.1954 (2)	0.0198 (9)
C64	1.2095 (4)	0.7267 (3)	0.2536 (3)	0.0245 (10)
C65	1.1152 (5)	0.7024 (3)	0.2878 (2)	0.0209 (9)
C66	1.0404 (4)	0.6281 (3)	0.2608 (2)	0.0185 (9)
F62	1.1656 (2)	0.55890 (15)	0.10975 (13)	0.0185 (5)
F63	1.3154 (2)	0.69939 (16)	0.16120 (14)	0.0244 (6)
F64	1.2851 (3)	0.79855 (17)	0.27847 (17)	0.0387 (7)
F65	1.0978 (3)	0.75227 (18)	0.34458 (15)	0.0342 (7)
F66	0.9488 (3)	0.60916 (17)	0.29603 (14)	0.0262 (6)
C71	0.7998 (4)	0.5110 (2)	0.1454 (2)	0.0144 (8)
C72	0.7730 (4)	0.5410 (2)	0.0863 (2)	0.0142 (8)
C73	0.6498 (4)	0.5682 (3)	0.0584 (2)	0.0167 (8)
C74	0.5471 (4)	0.5666 (2)	0.0929 (2)	0.0172 (8)
C75	0.5673 (4)	0.5406 (3)	0.1522 (2)	0.0196 (9)
C76	0.6926 (4)	0.5126 (3)	0.1784 (2)	0.0183 (9)
F72	0.8716 (2)	0.54524 (15)	0.05123 (13)	0.0197 (5)
F73	0.6297 (2)	0.59410 (16)	−0.00046 (14)	0.0246 (6)
F74	0.4250 (2)	0.59348 (16)	0.06597 (15)	0.0262 (6)
F75	0.4689 (3)	0.54231 (19)	0.18724 (17)	0.0326 (7)
F76	0.7042 (3)	0.49036 (17)	0.23841 (14)	0.0265 (6)
C81	1.0096 (4)	0.4233 (2)	0.1174 (2)	0.0148 (8)
C82	1.1465 (4)	0.4053 (3)	0.1347 (2)	0.0177 (9)
C83	1.2029 (4)	0.3521 (3)	0.0931 (2)	0.0204 (9)
C84	1.1236 (4)	0.3087 (3)	0.0291 (2)	0.0193 (9)
C85	0.9885 (4)	0.3229 (2)	0.0093 (2)	0.0158 (8)
C86	0.9368 (4)	0.3776 (2)	0.0534 (2)	0.0124 (8)
F82	1.2309 (2)	0.44484 (16)	0.19699 (13)	0.0222 (6)
F83	1.3363 (2)	0.33920 (18)	0.11482 (15)	0.0298 (7)
F84	1.1769 (3)	0.25604 (17)	−0.01253 (15)	0.0291 (6)
F85	0.9049 (2)	0.28296 (16)	−0.05397 (14)	0.0249 (6)
F86	0.7976 (2)	0.38291 (15)	0.02660 (13)	0.0190 (5)
C101	1.5007 (5)	0.8281 (3)	0.1240 (3)	0.0379 (13)
H101	1.5511	0.8406	0.1714	0.046*
C102	1.3058 (5)	0.8430 (3)	0.0354 (3)	0.0352 (12)
H102	1.2221	0.8644	0.0221	0.042*
C103	1.3785 (6)	0.8602 (3)	0.1044 (3)	0.0370 (12)
H103	1.3453	0.8939	0.1385	0.044*
C104	1.3551 (5)	0.7944 (3)	−0.0144 (3)	0.0344 (12)
H104	1.3070	0.7839	−0.0621	0.041*
C105	1.5486 (5)	0.7786 (4)	0.0755 (3)	0.0412 (14)
H105	1.6312	0.7565	0.0894	0.049*
C106	1.4766 (6)	0.7608 (3)	0.0062 (3)	0.0397 (14)
H106	1.5093	0.7260	−0.0274	0.048*
C111	0.464 (2)	0.1325 (11)	0.1602 (8)	0.130 (8)*	0.567 (9)
H111	0.4627	0.1645	0.2040	0.156*	0.567 (9)
C112	0.3740 (16)	0.1409 (9)	0.0984 (9)	0.105 (6)*	0.567 (9)
H112	0.3098	0.1783	0.1006	0.126*	0.567 (9)
C113	0.378 (2)	0.0949 (13)	0.0340 (8)	0.168 (12)*	0.567 (9)
H113	0.3169	0.1015	−0.0071	0.201*	0.567 (9)
C114	0.472 (2)	0.0390 (13)	0.0295 (8)	0.137 (9)*	0.567 (9)
H114	0.4752	0.0081	−0.0143	0.165*	0.567 (9)
C115	0.5598 (18)	0.0297 (10)	0.0909 (9)	0.111 (7)*	0.567 (9)
H115	0.6228	−0.0084	0.0885	0.133*	0.567 (9)
C116	0.5570 (19)	0.0755 (12)	0.1558 (8)	0.119 (7)*	0.567 (9)
H116	0.6174	0.0682	0.1969	0.143*	0.567 (9)
C121	0.0068 (10)	−0.0217 (6)	0.0263 (4)	0.111 (5)*	0.865 (18)
H121	0.0808	−0.0063	0.0670	0.133*	0.433 (9)
H12'	−0.0565	−0.0673	0.0196	0.133*	0.433 (9)
C122	−0.0885 (14)	−0.0852 (7)	0.0177 (8)	0.089 (7)*	0.433 (9)
H122	−0.0801	−0.1144	0.0527	0.106*	0.433 (9)
C123	−0.1988 (16)	−0.1077 (10)	−0.0422 (9)	0.116 (9)*	0.433 (9)
H123	−0.2624	−0.1530	−0.0484	0.139*	0.433 (9)
C124	−0.2147 (14)	−0.0629 (10)	−0.0933 (8)	0.081 (6)*	0.433 (9)
H124	−0.2946	−0.0737	−0.1310	0.097*	0.433 (9)
C125	−0.1113 (15)	−0.0023 (10)	−0.0875 (6)	0.076 (6)*	0.433 (9)
H125	−0.1124	0.0222	−0.1250	0.091*	0.433 (9)
C131	0.405 (2)	0.6156 (12)	0.6595 (8)	0.160 (11)*	0.598 (10)
H131	0.4027	0.6439	0.7045	0.191*	0.598 (10)
C132	0.3120 (17)	0.6270 (10)	0.5996 (10)	0.152 (10)*	0.598 (10)
H132	0.2473	0.6637	0.6043	0.182*	0.598 (10)
C133	0.3143 (16)	0.5849 (10)	0.5336 (8)	0.102 (6)*	0.598 (10)
H133	0.2504	0.5926	0.4938	0.122*	0.598 (10)
C134	0.410 (2)	0.5313 (13)	0.5258 (7)	0.147 (9)*	0.598 (10)
H134	0.4137	0.5037	0.4808	0.176*	0.598 (10)
C135	0.5013 (18)	0.5189 (11)	0.5851 (9)	0.120 (7)*	0.598 (10)
H135	0.5637	0.4808	0.5801	0.143*	0.598 (10)
C136	0.5017 (17)	0.5615 (11)	0.6514 (8)	0.108 (6)*	0.598 (10)
H136	0.5668	0.5541	0.6910	0.129*	0.598 (10)
C141	−0.0072 (8)	0.5213 (5)	0.4740 (4)	0.108 (5)*	0.804 (19)
H141	−0.0899	0.5135	0.4382	0.129*	0.402 (10)
H14'	0.0664	0.5585	0.4745	0.129*	0.402 (10)
C142	0.1054 (13)	0.5766 (9)	0.4776 (8)	0.091 (7)*	0.402 (10)
H142	0.0993	0.6049	0.4421	0.109*	0.402 (10)
C144	0.2398 (12)	0.5465 (11)	0.5833 (9)	0.096 (8)*	0.402 (10)
H144	0.3217	0.5548	0.6197	0.115*	0.402 (10)
C143	0.2248 (13)	0.5906 (10)	0.5316 (9)	0.078 (6)*	0.402 (10)
H143	0.2964	0.6300	0.5338	0.094*	0.402 (10)
C145	0.1305 (13)	0.4905 (11)	0.5792 (7)	0.082 (7)*	0.402 (10)
H145	0.1394	0.4597	0.6130	0.099*	0.402 (10)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
B1	0.079 (5)	0.024 (3)	0.029 (3)	0.001 (3)	0.024 (3)	0.008 (3)
Li1	0.094 (9)	0.056 (7)	0.031 (6)	0.015 (6)	0.007 (6)	0.010 (5)
C11	0.091 (5)	0.033 (3)	0.042 (4)	0.017 (3)	0.037 (4)	0.014 (3)
C12	0.110 (6)	0.037 (4)	0.047 (4)	0.022 (4)	0.036 (4)	0.023 (3)
C13	0.149 (8)	0.052 (5)	0.044 (4)	0.051 (5)	0.047 (5)	0.032 (4)
C14	0.180 (10)	0.047 (5)	0.078 (6)	0.055 (6)	0.089 (7)	0.050 (5)
C15	0.134 (8)	0.041 (4)	0.087 (6)	0.025 (4)	0.085 (6)	0.032 (4)
C16	0.101 (6)	0.032 (3)	0.052 (4)	0.010 (3)	0.043 (4)	0.014 (3)
F12	0.109 (3)	0.053 (2)	0.038 (2)	0.026 (2)	0.015 (2)	0.0222 (19)
F13	0.202 (6)	0.093 (4)	0.058 (3)	0.086 (4)	0.049 (4)	0.050 (3)
F14	0.238 (7)	0.080 (4)	0.111 (4)	0.085 (4)	0.124 (5)	0.078 (3)
F15	0.170 (5)	0.041 (2)	0.130 (5)	0.021 (3)	0.115 (4)	0.037 (3)
F16	0.109 (3)	0.034 (2)	0.073 (3)	−0.006 (2)	0.053 (3)	0.011 (2)
C21	0.066 (4)	0.023 (3)	0.027 (3)	−0.006 (2)	0.019 (3)	0.007 (2)
C22	0.068 (4)	0.032 (3)	0.040 (3)	0.006 (3)	0.021 (3)	0.021 (3)
C23	0.087 (5)	0.034 (3)	0.025 (3)	0.012 (3)	0.015 (3)	0.008 (2)
C24	0.094 (5)	0.026 (3)	0.030 (3)	0.021 (3)	0.024 (3)	0.008 (2)
C25	0.070 (4)	0.033 (3)	0.033 (3)	0.011 (3)	0.022 (3)	0.013 (2)
C26	0.073 (4)	0.024 (3)	0.024 (3)	−0.006 (3)	0.018 (3)	0.008 (2)
F22	0.071 (2)	0.0351 (18)	0.0358 (19)	0.0032 (16)	0.0159 (17)	0.0054 (15)
F23	0.109 (3)	0.050 (2)	0.0242 (18)	0.027 (2)	0.0077 (19)	0.0044 (16)
F24	0.125 (4)	0.070 (3)	0.041 (2)	0.057 (3)	0.022 (2)	0.009 (2)
F25	0.083 (3)	0.056 (2)	0.040 (2)	0.018 (2)	0.0200 (19)	0.0096 (18)
F26	0.075 (2)	0.0390 (19)	0.0382 (19)	−0.0003 (17)	0.0212 (17)	0.0076 (16)
C31	0.063 (4)	0.028 (3)	0.025 (3)	0.008 (2)	0.010 (2)	0.009 (2)
C32	0.064 (4)	0.026 (3)	0.024 (3)	0.006 (2)	0.011 (2)	0.006 (2)
C33	0.050 (3)	0.030 (3)	0.026 (3)	0.006 (2)	0.005 (2)	0.010 (2)
C34	0.051 (3)	0.020 (3)	0.029 (3)	0.006 (2)	−0.008 (2)	0.004 (2)
C35	0.049 (3)	0.036 (3)	0.025 (3)	0.017 (2)	−0.002 (2)	0.005 (2)
C36	0.054 (3)	0.033 (3)	0.022 (3)	0.014 (2)	0.008 (2)	0.008 (2)
F32	0.087 (3)	0.0295 (17)	0.0325 (18)	−0.0019 (16)	0.0266 (17)	0.0068 (14)
F33	0.064 (2)	0.0351 (18)	0.0368 (19)	−0.0021 (15)	0.0085 (16)	0.0103 (15)
F34	0.065 (2)	0.0321 (18)	0.043 (2)	0.0033 (16)	−0.0088 (17)	−0.0013 (15)
F35	0.068 (2)	0.042 (2)	0.0273 (17)	0.0205 (17)	−0.0007 (15)	−0.0024 (15)
F36	0.070 (2)	0.0415 (19)	0.0298 (17)	0.0155 (16)	0.0167 (16)	0.0111 (15)
C41	0.070 (4)	0.024 (3)	0.031 (3)	−0.009 (3)	0.017 (3)	0.006 (2)
C42	0.070 (4)	0.023 (3)	0.031 (3)	−0.007 (3)	0.015 (3)	0.008 (2)
C43	0.061 (4)	0.030 (3)	0.035 (3)	−0.011 (3)	0.015 (3)	0.001 (2)
C44	0.059 (4)	0.024 (3)	0.039 (3)	−0.004 (2)	0.010 (3)	0.004 (2)
C45	0.074 (4)	0.021 (3)	0.029 (3)	−0.005 (3)	0.010 (3)	0.006 (2)
C46	0.067 (4)	0.027 (3)	0.033 (3)	−0.003 (3)	0.018 (3)	0.005 (2)
F42	0.077 (3)	0.054 (2)	0.039 (2)	0.0008 (18)	0.0255 (18)	0.0218 (17)
F43	0.070 (2)	0.056 (2)	0.053 (2)	−0.0017 (19)	0.0247 (19)	0.0147 (19)
F44	0.068 (2)	0.042 (2)	0.047 (2)	−0.0003 (17)	0.0086 (18)	0.0070 (17)
F45	0.090 (3)	0.0388 (19)	0.0360 (19)	0.0047 (18)	0.0146 (18)	0.0169 (16)
F46	0.078 (2)	0.0387 (19)	0.0390 (19)	0.0056 (17)	0.0282 (18)	0.0176 (15)
C91	0.149 (9)	0.050 (5)	0.054 (5)	−0.002 (5)	−0.034 (6)	0.022 (4)
C92	0.200 (12)	0.059 (5)	0.049 (5)	0.047 (7)	−0.008 (6)	0.008 (4)
C93	0.166 (10)	0.059 (5)	0.046 (5)	0.042 (6)	−0.013 (5)	0.021 (4)
C94	0.096 (6)	0.039 (4)	0.043 (4)	0.003 (4)	−0.010 (4)	0.012 (3)
C95	0.073 (5)	0.051 (4)	0.053 (4)	−0.013 (3)	−0.006 (4)	0.019 (3)
C96	0.078 (5)	0.050 (4)	0.062 (5)	−0.019 (4)	−0.016 (4)	0.025 (4)
B2	0.0062 (18)	0.021 (2)	0.017 (2)	0.0040 (16)	0.0020 (16)	0.0098 (19)
Li2	0.018 (4)	0.046 (5)	0.029 (4)	−0.004 (3)	0.003 (3)	0.007 (4)
C51	0.0151 (18)	0.018 (2)	0.020 (2)	0.0070 (15)	0.0081 (16)	0.0123 (17)
C52	0.022 (2)	0.025 (2)	0.020 (2)	0.0100 (17)	0.0073 (17)	0.0118 (19)
C53	0.036 (3)	0.043 (3)	0.027 (3)	0.018 (2)	0.010 (2)	0.022 (2)
C54	0.051 (3)	0.035 (3)	0.035 (3)	0.020 (2)	0.022 (2)	0.027 (2)
C55	0.040 (3)	0.017 (2)	0.052 (3)	0.004 (2)	0.024 (2)	0.018 (2)
C56	0.021 (2)	0.024 (2)	0.028 (3)	0.0067 (17)	0.0103 (18)	0.009 (2)
F52	0.0210 (12)	0.0317 (15)	0.0226 (14)	−0.0010 (11)	−0.0043 (10)	0.0118 (12)
F53	0.0501 (19)	0.061 (2)	0.0258 (16)	0.0170 (16)	−0.0013 (14)	0.0289 (16)
F54	0.080 (3)	0.047 (2)	0.062 (2)	0.0177 (18)	0.026 (2)	0.048 (2)
F55	0.054 (2)	0.0289 (17)	0.082 (3)	−0.0058 (15)	0.0231 (19)	0.0292 (18)
F56	0.0233 (13)	0.0262 (15)	0.0379 (17)	−0.0036 (11)	0.0040 (12)	0.0065 (12)
C61	0.0075 (16)	0.019 (2)	0.016 (2)	0.0049 (14)	0.0025 (14)	0.0092 (16)
C62	0.0112 (17)	0.020 (2)	0.016 (2)	0.0044 (15)	0.0023 (15)	0.0068 (17)
C63	0.0125 (18)	0.027 (2)	0.024 (2)	−0.0004 (16)	0.0078 (16)	0.0127 (19)
C64	0.020 (2)	0.022 (2)	0.028 (3)	−0.0051 (17)	0.0036 (18)	0.0043 (19)
C65	0.027 (2)	0.021 (2)	0.016 (2)	0.0050 (17)	0.0083 (17)	0.0021 (17)
C66	0.0131 (18)	0.028 (2)	0.020 (2)	0.0036 (16)	0.0072 (16)	0.0126 (18)
F62	0.0141 (11)	0.0246 (13)	0.0174 (13)	0.0014 (9)	0.0082 (9)	0.0022 (10)
F63	0.0171 (12)	0.0290 (14)	0.0306 (15)	−0.0064 (10)	0.0110 (11)	0.0119 (12)
F64	0.0456 (17)	0.0218 (15)	0.0428 (18)	−0.0163 (12)	0.0127 (14)	−0.0001 (13)
F65	0.0431 (16)	0.0322 (16)	0.0249 (15)	0.0012 (13)	0.0148 (13)	−0.0042 (12)
F66	0.0235 (13)	0.0355 (15)	0.0256 (14)	0.0027 (11)	0.0167 (11)	0.0091 (12)
C71	0.0075 (17)	0.016 (2)	0.021 (2)	0.0048 (14)	0.0044 (15)	0.0057 (17)
C72	0.0086 (17)	0.016 (2)	0.021 (2)	0.0025 (14)	0.0058 (15)	0.0066 (16)
C73	0.0090 (17)	0.020 (2)	0.022 (2)	0.0061 (15)	0.0023 (15)	0.0074 (17)
C74	0.0145 (11)	0.0173 (12)	0.0191 (12)	0.0046 (9)	0.0028 (9)	0.0036 (9)
C75	0.0059 (17)	0.023 (2)	0.035 (3)	0.0063 (15)	0.0116 (17)	0.0084 (19)
C76	0.0111 (18)	0.025 (2)	0.022 (2)	0.0072 (16)	0.0058 (16)	0.0109 (18)
F72	0.0109 (11)	0.0313 (14)	0.0251 (14)	0.0086 (9)	0.0105 (10)	0.0158 (11)
F73	0.0178 (12)	0.0356 (15)	0.0251 (14)	0.0115 (11)	0.0033 (10)	0.0169 (12)
F74	0.0072 (11)	0.0328 (15)	0.0389 (16)	0.0129 (10)	0.0019 (10)	0.0108 (12)
F75	0.0138 (12)	0.0499 (18)	0.0466 (18)	0.0131 (12)	0.0215 (12)	0.0200 (15)
F76	0.0209 (12)	0.0409 (16)	0.0293 (15)	0.0136 (11)	0.0161 (11)	0.0198 (13)
C81	0.0060 (17)	0.019 (2)	0.023 (2)	0.0052 (14)	0.0026 (15)	0.0124 (17)
C82	0.0073 (17)	0.025 (2)	0.022 (2)	0.0064 (15)	0.0012 (16)	0.0110 (18)
C83	0.0046 (17)	0.032 (2)	0.030 (2)	0.0108 (16)	0.0036 (16)	0.019 (2)
C84	0.0155 (19)	0.028 (2)	0.022 (2)	0.0079 (17)	0.0117 (17)	0.0133 (19)
C85	0.0135 (18)	0.019 (2)	0.015 (2)	−0.0005 (15)	0.0020 (15)	0.0073 (17)
C86	0.0097 (10)	0.0139 (11)	0.0136 (11)	0.0024 (8)	0.0019 (8)	0.0039 (9)
F82	0.0083 (10)	0.0329 (15)	0.0197 (13)	0.0057 (10)	−0.0048 (9)	0.0024 (11)
F83	0.0093 (11)	0.0497 (18)	0.0338 (16)	0.0192 (11)	0.0039 (10)	0.0141 (14)
F84	0.0260 (13)	0.0377 (16)	0.0254 (15)	0.0108 (12)	0.0143 (11)	0.0008 (12)
F85	0.0176 (12)	0.0335 (15)	0.0190 (13)	−0.0005 (10)	0.0035 (10)	−0.0014 (11)
F86	0.0049 (10)	0.0265 (13)	0.0234 (13)	0.0044 (9)	−0.0020 (9)	0.0069 (11)
C101	0.030 (3)	0.037 (3)	0.044 (3)	−0.007 (2)	0.003 (2)	0.015 (3)
C102	0.031 (3)	0.027 (3)	0.056 (4)	0.011 (2)	0.014 (2)	0.021 (3)
C103	0.045 (3)	0.026 (3)	0.046 (3)	0.007 (2)	0.020 (3)	0.013 (2)
C104	0.037 (3)	0.031 (3)	0.039 (3)	0.006 (2)	0.009 (2)	0.016 (2)
C105	0.023 (2)	0.052 (4)	0.061 (4)	0.013 (2)	0.017 (2)	0.028 (3)
C106	0.045 (3)	0.037 (3)	0.056 (4)	0.021 (2)	0.033 (3)	0.024 (3)

Geometric parameters (Å, º)

B1—C41	1.653 (11)	C62—F62	1.359 (5)
B1—C31	1.667 (9)	C62—C63	1.386 (6)
B1—C21	1.671 (9)	C63—C64	1.364 (7)
B1—C11	1.677 (9)	C63—F63	1.378 (5)
Li1—F33	2.015 (12)	C64—F64	1.350 (5)
Li1—F22^i	2.071 (13)	C64—C65	1.400 (6)
Li1—F23^i	2.232 (15)	C65—F65	1.347 (5)
Li1—F44^ii	2.238 (14)	C65—C66	1.385 (6)
Li1—C95	2.533 (16)	C66—F66	1.362 (5)
Li1—C94	2.559 (15)	C71—C72	1.387 (6)
Li1—C96	2.602 (17)	C71—C76	1.404 (6)
Li1—C93	2.674 (15)	C72—F72	1.365 (4)
Li1—C91	2.700 (16)	C72—C73	1.397 (5)
Li1—C92	2.729 (16)	C73—F73	1.345 (5)
C11—C16	1.373 (10)	C73—C74	1.388 (6)
C11—C12	1.384 (11)	C74—C75	1.353 (6)
C12—F12	1.347 (9)	C74—F74	1.380 (5)
C12—C13	1.418 (9)	C75—F75	1.354 (5)
C13—F13	1.347 (11)	C75—C76	1.412 (6)
C13—C14	1.356 (14)	C76—F76	1.341 (5)
C14—F14	1.358 (8)	F74—Li2^ii	2.213 (10)
C14—C15	1.378 (15)	C81—C86	1.380 (6)
C15—F15	1.352 (10)	C81—C82	1.416 (5)
C15—C16	1.395 (10)	C82—F82	1.360 (5)
C16—F16	1.387 (10)	C82—C83	1.366 (6)
C21—C22	1.385 (9)	C83—F83	1.365 (4)
C21—C26	1.388 (9)	C83—C84	1.385 (7)
C22—F22	1.372 (8)	C84—F84	1.342 (5)
C22—C23	1.390 (9)	C84—C85	1.382 (6)
C23—F23	1.361 (8)	C85—F85	1.373 (5)
C23—C24	1.366 (10)	C85—C86	1.382 (6)
C24—F24	1.355 (7)	C86—F86	1.399 (4)
C24—C25	1.381 (9)	F85—Li2^iv	2.231 (8)
C25—F25	1.340 (8)	F86—Li2^iv	2.047 (9)
C25—C26	1.401 (8)	C101—C105	1.368 (9)
C26—F26	1.354 (7)	C101—C103	1.396 (8)
F22—Li1^i	2.071 (13)	C101—H101	0.9500
F23—Li1^i	2.232 (15)	C102—C103	1.381 (9)
C31—C32	1.387 (8)	C102—C104	1.388 (8)
C31—C36	1.408 (8)	C102—H102	0.9500
C32—F32	1.361 (6)	C103—H103	0.9500
C32—C33	1.392 (8)	C104—C106	1.407 (8)
C33—F33	1.373 (7)	C104—H104	0.9500
C33—C34	1.391 (8)	C105—C106	1.385 (9)
C34—F34	1.350 (6)	C105—H105	0.9500
C34—C35	1.361 (9)	C106—H106	0.9500
C35—F35	1.369 (7)	C111—C116	1.411 (9)
C35—C36	1.384 (8)	C111—C112	1.411 (8)
C36—F36	1.363 (7)	C111—H111	0.9500
C41—C42	1.377 (9)	C112—C113	1.396 (9)
C41—C46	1.420 (8)	C112—H112	0.9500
C42—C43	1.371 (10)	C113—C114	1.405 (9)
C42—F42	1.381 (7)	C113—H113	0.9500
C43—F43	1.343 (7)	C114—C115	1.400 (9)
C43—C44	1.411 (9)	C114—C114^v	1.83 (3)
C44—F44	1.352 (8)	C114—H114	0.9500
C44—C45	1.363 (9)	C115—C116	1.400 (8)
C45—F45	1.364 (7)	C115—H115	0.9500
C45—C46	1.375 (9)	C116—H116	0.9500
C46—F46	1.354 (7)	C121—C122	1.370 (8)
F44—Li1^iii	2.238 (14)	C121—C125^vi	1.393 (8)
C91—C96	1.401 (15)	C121—C121^vi	1.423 (8)
C91—C92	1.417 (16)	C121—H121	0.9500
C91—H91	0.9500	C121—H12'	0.9500
C92—C93	1.416 (12)	C122—C123	1.407 (9)
C92—H92	0.9500	C122—H12'	0.4236
C93—C94	1.388 (13)	C122—H122	0.9500
C93—H93	0.9500	C123—C124	1.414 (9)
C94—C95	1.370 (11)	C123—H123	0.9500
C94—H94	0.9500	C124—C125	1.401 (8)
C95—C96	1.409 (11)	C124—H124	0.9500
C95—H95	0.9500	C125—C121^vi	1.393 (8)
C96—H96	0.9500	C125—H125	0.9500
B2—C51	1.652 (6)	C131—C132	1.413 (9)
B2—C81	1.659 (6)	C131—C136	1.414 (9)
B2—C71	1.662 (5)	C131—H131	0.9500
B2—C61	1.665 (6)	C132—C133	1.394 (8)
Li2—F63	2.046 (9)	C132—H132	0.9500
Li2—F86^iv	2.047 (9)	C133—C134	1.402 (9)
Li2—F74^iii	2.213 (10)	C133—H133	0.9500
Li2—F85^iv	2.231 (8)	C134—C135	1.400 (9)
Li2—C106	2.501 (10)	C134—H134	0.9500
Li2—C104	2.568 (10)	C135—C136	1.396 (8)
Li2—C105	2.591 (9)	C135—H135	0.9500
Li2—C102	2.674 (11)	C136—H136	0.9500
Li2—C101	2.716 (10)	C141—C141^vii	1.404 (8)
Li2—C103	2.751 (11)	C141—C145^vii	1.414 (8)
C51—C56	1.398 (6)	C141—C142	1.418 (8)
C51—C52	1.406 (6)	C141—H141	0.9500
C52—F52	1.368 (5)	C141—H14'	0.9499
C52—C53	1.378 (7)	C142—C143	1.394 (9)
C53—F53	1.357 (6)	C142—H14'	0.4709
C53—C54	1.373 (8)	C142—H142	0.9500
C54—F54	1.357 (6)	C144—C145	1.399 (9)
C54—C55	1.384 (8)	C144—C143	1.416 (9)
C55—F55	1.357 (6)	C144—H144	0.9500
C55—C56	1.380 (7)	C143—H143	0.9500
C56—F56	1.366 (6)	C145—C141^vii	1.414 (8)
C61—C66	1.395 (6)	C145—H145	0.9500
C61—C62	1.397 (6)
C41—B1—C31	102.8 (5)	F85^iv—Li2—C103	87.6 (3)
C41—B1—C21	115.2 (5)	C106—Li2—C103	63.5 (3)
C31—B1—C21	111.2 (5)	C104—Li2—C103	53.5 (3)
C41—B1—C11	113.8 (5)	C105—Li2—C103	53.3 (2)
C31—B1—C11	113.5 (5)	C102—Li2—C103	29.5 (2)
C21—B1—C11	100.8 (4)	C101—Li2—C103	29.6 (2)
F33—Li1—F22^i	127.1 (7)	C56—C51—C52	112.5 (4)
F33—Li1—F23^i	83.0 (5)	C56—C51—B2	119.3 (4)
F22^i—Li1—F23^i	73.9 (5)	C52—C51—B2	127.4 (4)
F33—Li1—F44^ii	84.5 (5)	F52—C52—C53	115.5 (4)
F22^i—Li1—F44^ii	77.7 (4)	F52—C52—C51	120.2 (4)
F23^i—Li1—F44^ii	132.2 (7)	C53—C52—C51	124.3 (4)
F33—Li1—C95	134.4 (7)	F53—C53—C54	119.5 (4)
F22^i—Li1—C95	96.5 (5)	F53—C53—C52	120.5 (5)
F23^i—Li1—C95	126.7 (6)	C54—C53—C52	120.0 (5)
F44^ii—Li1—C95	93.9 (6)	F54—C54—C53	119.8 (5)
F33—Li1—C94	141.2 (6)	F54—C54—C55	121.1 (5)
F22^i—Li1—C94	88.7 (4)	C53—C54—C55	119.1 (4)
F23^i—Li1—C94	95.5 (5)	F55—C55—C56	121.7 (5)
F44^ii—Li1—C94	121.6 (6)	F55—C55—C54	119.3 (5)
C95—Li1—C94	31.2 (3)	C56—C55—C54	119.0 (5)
F33—Li1—C96	102.8 (5)	F56—C56—C55	115.9 (4)
F22^i—Li1—C96	125.0 (6)	F56—C56—C51	119.0 (4)
F23^i—Li1—C96	141.0 (6)	C55—C56—C51	125.1 (5)
F44^ii—Li1—C96	86.8 (5)	C66—C61—C62	113.2 (4)
C95—Li1—C96	31.8 (3)	C66—C61—B2	120.0 (3)
C94—Li1—C96	56.0 (4)	C62—C61—B2	126.7 (4)
F33—Li1—C93	113.3 (6)	F62—C62—C63	115.4 (4)
F22^i—Li1—C93	107.4 (5)	F62—C62—C61	121.6 (4)
F23^i—Li1—C93	78.0 (5)	C63—C62—C61	123.1 (4)
F44^ii—Li1—C93	148.2 (7)	C64—C63—F63	118.7 (4)
C95—Li1—C93	54.6 (4)	C64—C63—C62	121.5 (4)
C94—Li1—C93	30.7 (3)	F63—C63—C62	119.8 (4)
C96—Li1—C93	64.2 (5)	F64—C64—C63	121.3 (4)
F33—Li1—C91	81.7 (5)	F64—C64—C65	120.4 (4)
F22^i—Li1—C91	151.1 (7)	C63—C64—C65	118.3 (4)
F23^i—Li1—C91	116.8 (6)	F65—C65—C66	122.2 (4)
F44^ii—Li1—C91	106.6 (6)	F65—C65—C64	119.3 (4)
C95—Li1—C91	55.0 (4)	C66—C65—C64	118.5 (4)
C94—Li1—C91	64.4 (4)	F66—C66—C65	115.2 (4)
C96—Li1—C91	30.6 (4)	F66—C66—C61	119.5 (4)
C93—Li1—C91	54.1 (4)	C65—C66—C61	125.4 (4)
F33—Li1—C92	86.7 (5)	C63—F63—Li2	136.2 (3)
F22^i—Li1—C92	137.7 (6)	C72—C71—C76	114.2 (3)
F23^i—Li1—C92	88.1 (5)	C72—C71—B2	119.8 (3)
F44^ii—Li1—C92	136.9 (7)	C76—C71—B2	125.7 (4)
C95—Li1—C92	63.9 (5)	F72—C72—C71	119.6 (3)
C94—Li1—C92	54.6 (4)	F72—C72—C73	115.4 (4)
C96—Li1—C92	54.4 (5)	C71—C72—C73	125.0 (4)
C93—Li1—C92	30.4 (3)	F73—C73—C74	120.7 (3)
C91—Li1—C92	30.3 (4)	F73—C73—C72	121.7 (4)
C16—C11—C12	113.9 (6)	C74—C73—C72	117.7 (4)
C16—C11—B1	119.4 (6)	C75—C74—F74	121.0 (4)
C12—C11—B1	125.9 (6)	C75—C74—C73	120.7 (4)
F12—C12—C11	122.9 (6)	F74—C74—C73	118.3 (4)
F12—C12—C13	114.6 (8)	C74—C75—F75	120.5 (4)
C11—C12—C13	122.5 (8)	C74—C75—C76	120.0 (4)
F13—C13—C14	120.1 (7)	F75—C75—C76	119.5 (4)
F13—C13—C12	119.8 (9)	F76—C76—C71	122.2 (3)
C14—C13—C12	120.1 (9)	F76—C76—C75	115.5 (4)
C13—C14—F14	121.4 (11)	C71—C76—C75	122.3 (4)
C13—C14—C15	119.9 (7)	C74—F74—Li2^ii	145.8 (3)
F14—C14—C15	118.7 (10)	C86—C81—C82	111.3 (4)
F15—C15—C14	121.7 (7)	C86—C81—B2	129.3 (3)
F15—C15—C16	120.6 (10)	C82—C81—B2	119.2 (4)
C14—C15—C16	117.6 (8)	F82—C82—C83	116.5 (3)
C11—C16—F16	118.6 (6)	F82—C82—C81	118.2 (4)
C11—C16—C15	125.9 (9)	C83—C82—C81	125.3 (4)
F16—C16—C15	115.6 (7)	F83—C83—C82	120.6 (4)
C22—C21—C26	112.8 (5)	F83—C83—C84	119.2 (4)
C22—C21—B1	128.1 (6)	C82—C83—C84	120.2 (4)
C26—C21—B1	118.8 (5)	F84—C84—C85	121.4 (4)
F22—C22—C21	122.2 (6)	F84—C84—C83	121.2 (4)
F22—C22—C23	113.8 (6)	C85—C84—C83	117.4 (4)
C21—C22—C23	124.0 (6)	F85—C85—C84	120.4 (4)
F23—C23—C24	121.0 (6)	F85—C85—C86	119.6 (3)
F23—C23—C22	118.4 (6)	C84—C85—C86	120.0 (4)
C24—C23—C22	120.6 (6)	C81—C86—C85	125.8 (4)
F24—C24—C23	120.9 (6)	C81—C86—F86	121.5 (3)
F24—C24—C25	120.3 (6)	C85—C86—F86	112.7 (3)
C23—C24—C25	118.8 (6)	C85—F85—Li2^iv	110.9 (3)
F25—C25—C24	120.3 (5)	C86—F86—Li2^iv	119.9 (3)
F25—C25—C26	121.3 (6)	C105—C101—C103	120.5 (6)
C24—C25—C26	118.3 (6)	C105—C101—Li2	70.0 (4)
F26—C26—C21	119.9 (5)	C103—C101—Li2	76.6 (4)
F26—C26—C25	114.8 (6)	C105—C101—H101	119.8
C21—C26—C25	125.3 (6)	C103—C101—H101	119.8
C22—F22—Li1^i	120.0 (5)	Li2—C101—H101	125.3
C23—F23—Li1^i	112.2 (5)	C103—C102—C104	120.0 (5)
C32—C31—C36	113.1 (5)	C103—C102—Li2	78.3 (4)
C32—C31—B1	126.6 (5)	C104—C102—Li2	70.4 (3)
C36—C31—B1	120.1 (5)	C103—C102—H102	120.0
F32—C32—C31	122.5 (5)	C104—C102—H102	120.0
F32—C32—C33	113.7 (5)	Li2—C102—H102	122.4
C31—C32—C33	123.8 (5)	C102—C103—C101	120.0 (5)
F33—C33—C34	118.7 (5)	C102—C103—Li2	72.2 (4)
F33—C33—C32	121.1 (5)	C101—C103—Li2	73.8 (4)
C34—C33—C32	120.3 (5)	C102—C103—H103	120.0
F34—C34—C35	122.1 (5)	C101—C103—H103	120.0
F34—C34—C33	119.9 (6)	Li2—C103—H103	125.7
C35—C34—C33	118.0 (5)	C102—C104—C106	119.5 (5)
C34—C35—F35	119.5 (5)	C102—C104—Li2	78.9 (4)
C34—C35—C36	120.5 (5)	C106—C104—Li2	71.3 (4)
F35—C35—C36	119.9 (5)	C102—C104—H104	120.2
F36—C36—C35	117.4 (5)	C106—C104—H104	120.2
F36—C36—C31	118.5 (5)	Li2—C104—H104	120.6
C35—C36—C31	124.2 (6)	C101—C105—C106	120.1 (5)
C33—F33—Li1	135.6 (5)	C101—C105—Li2	80.2 (4)
C42—C41—C46	112.1 (6)	C106—C105—Li2	70.7 (4)
C42—C41—B1	128.6 (5)	C101—C105—H105	119.9
C46—C41—B1	118.9 (5)	C106—C105—H105	119.9
C43—C42—C41	126.9 (6)	Li2—C105—H105	120.1
C43—C42—F42	113.7 (5)	C105—C106—C104	119.9 (5)
C41—C42—F42	119.3 (6)	C105—C106—Li2	77.8 (4)
F43—C43—C42	122.9 (6)	C104—C106—Li2	76.5 (4)
F43—C43—C44	119.1 (6)	C105—C106—H106	120.1
C42—C43—C44	117.8 (6)	C104—C106—H106	120.1
F44—C44—C45	122.0 (6)	Li2—C106—H106	116.4
F44—C44—C43	119.4 (6)	C116—C111—C112	118.7 (7)
C45—C44—C43	118.6 (6)	C116—C111—H111	120.7
C44—C45—F45	118.8 (6)	C112—C111—H111	120.7
C44—C45—C46	120.9 (6)	C113—C112—C111	120.7 (7)
F45—C45—C46	120.2 (6)	C113—C112—H112	119.7
F46—C46—C45	117.4 (5)	C111—C112—H112	119.7
F46—C46—C41	119.0 (6)	C112—C113—C114	120.6 (7)
C45—C46—C41	123.5 (6)	C112—C113—H113	119.7
C44—F44—Li1^iii	144.4 (5)	C114—C113—H113	119.7
C96—C91—C92	119.8 (8)	C115—C114—C113	118.7 (7)
C96—C91—Li1	70.8 (5)	C115—C114—C114^v	96.5 (16)
C92—C91—Li1	76.0 (7)	C113—C114—C114^v	144.7 (17)
C96—C91—H91	120.1	C115—C114—H114	120.6
C92—C91—H91	120.1	C113—C114—H114	120.6
Li1—C91—H91	124.7	C114^v—C114—H114	24.3
C93—C92—C91	119.2 (10)	C116—C115—C114	121.3 (7)
C93—C92—Li1	72.7 (6)	C116—C115—H115	119.4
C91—C92—Li1	73.8 (6)	C114—C115—H115	119.4
C93—C92—H92	120.4	C115—C116—C111	120.0 (7)
C91—C92—H92	120.4	C115—C116—H116	120.0
Li1—C92—H92	124.8	C111—C116—H116	120.0
C94—C93—C92	120.1 (9)	C122—C121—C125^vi	120.0 (7)
C94—C93—Li1	70.1 (5)	C122—C121—C121^vi	119.2 (7)
C92—C93—Li1	77.0 (6)	C125^vi—C121—C121^vi	120.6 (7)
C94—C93—H93	119.9	C122—C121—H121	120.7
C92—C93—H93	119.9	C125^vi—C121—H121	2.5
Li1—C93—H93	124.5	C121^vi—C121—H121	120.1
C95—C94—C93	120.3 (7)	C122—C121—H12'	2.6
C95—C94—Li1	73.4 (5)	C125^vi—C121—H12'	119.8
C93—C94—Li1	79.3 (6)	C121^vi—C121—H12'	119.5
C95—C94—H94	119.8	H121—C121—H12'	120.3
C93—C94—H94	119.8	C121—C122—C123	120.7 (7)
Li1—C94—H94	118.4	C121—C122—H12'	5.9
C94—C95—C96	121.4 (9)	C123—C122—H12'	121.3
C94—C95—Li1	75.4 (6)	C121—C122—H122	119.6
C96—C95—Li1	76.8 (6)	C123—C122—H122	119.6
C94—C95—H95	119.3	H12'—C122—H122	118.7
C96—C95—H95	119.3	C122—C123—C124	119.9 (7)
Li1—C95—H95	119.4	C122—C123—H123	120.0
C91—C96—C95	119.1 (8)	C124—C123—H123	120.0
C91—C96—Li1	78.6 (6)	C125—C124—C123	119.2 (7)
C95—C96—Li1	71.4 (5)	C125—C124—H124	120.4
C91—C96—H96	120.5	C123—C124—H124	120.4
C95—C96—H96	120.5	C121^vi—C125—C124	119.5 (7)
Li1—C96—H96	120.6	C121^vi—C125—H125	120.3
C51—B2—C81	100.7 (3)	C124—C125—H125	120.3
C51—B2—C71	113.9 (3)	C132—C131—C136	118.9 (7)
C81—B2—C71	114.2 (3)	C132—C131—H131	120.6
C51—B2—C61	113.9 (3)	C136—C131—H131	120.6
C81—B2—C61	111.8 (3)	C133—C132—C131	120.6 (7)
C71—B2—C61	102.8 (3)	C133—C132—H132	119.7
F63—Li2—F86^iv	126.8 (4)	C131—C132—H132	119.7
F63—Li2—F74^iii	84.1 (3)	C132—C133—C134	120.4 (7)
F86^iv—Li2—F74^iii	78.1 (3)	C132—C133—H133	119.8
F63—Li2—F85^iv	82.0 (3)	C134—C133—H133	119.8
F86^iv—Li2—F85^iv	74.8 (3)	C135—C134—C133	119.2 (7)
F74^iii—Li2—F85^iv	132.6 (4)	C135—C134—H134	120.4
F63—Li2—C106	133.1 (4)	C133—C134—H134	120.4
F86^iv—Li2—C106	98.0 (4)	C136—C135—C134	121.1 (7)
F74^iii—Li2—C106	93.6 (3)	C136—C135—H135	119.5
F85^iv—Li2—C106	128.0 (4)	C134—C135—H135	119.5
F63—Li2—C104	139.9 (5)	C135—C136—C131	119.8 (7)
F86^iv—Li2—C104	90.2 (3)	C135—C136—H136	120.1
F74^iii—Li2—C104	122.6 (4)	C131—C136—H136	120.1
F85^iv—Li2—C104	95.8 (4)	C141^vii—C141—C145^vii	120.6 (7)
C106—Li2—C104	32.2 (2)	C141^vii—C141—C142	117.5 (7)
F63—Li2—C105	101.7 (4)	C145^vii—C141—C142	121.9 (7)
F86^iv—Li2—C105	126.6 (4)	C141^vii—C141—H141	120.8
F74^iii—Li2—C105	87.3 (3)	C145^vii—C141—H141	0.2
F85^iv—Li2—C105	139.9 (5)	C142—C141—H141	121.7
C106—Li2—C105	31.5 (2)	C141^vii—C141—H14'	119.8
C104—Li2—C105	55.9 (2)	C145^vii—C141—H14'	119.6
F63—Li2—C102	112.1 (4)	C142—C141—H14'	2.3
F86^iv—Li2—C102	108.7 (4)	H141—C141—H14'	119.4
F74^iii—Li2—C102	148.6 (4)	C143—C142—C141	121.9 (7)
F85^iv—Li2—C102	77.8 (3)	C143—C142—H14'	126.5
C106—Li2—C102	55.5 (2)	C141—C142—H14'	4.7
C104—Li2—C102	30.6 (2)	C143—C142—H142	119.1
C105—Li2—C102	63.7 (3)	C141—C142—H142	119.1
F63—Li2—C101	81.6 (3)	H14'—C142—H142	114.4
F86^iv—Li2—C101	151.6 (4)	C145—C144—C143	118.0 (7)
F74^iii—Li2—C101	106.8 (3)	C145—C144—H144	121.0
F85^iv—Li2—C101	115.5 (4)	C143—C144—H144	121.0
C106—Li2—C101	54.2 (3)	C142—C143—C144	120.4 (7)
C104—Li2—C101	63.2 (3)	C142—C143—H143	119.8
C105—Li2—C101	29.7 (2)	C144—C143—H143	119.8
C102—Li2—C101	53.0 (2)	C144—C145—C141^vii	121.5 (7)
F63—Li2—C103	86.5 (3)	C144—C145—H145	119.2
F86^iv—Li2—C103	138.1 (4)	C141^vii—C145—H145	119.2
F74^iii—Li2—C103	136.3 (4)
C41—B1—C11—C16	−56.2 (8)	F52—C52—C53—C54	178.9 (4)
C31—B1—C11—C16	−173.3 (6)	C51—C52—C53—C54	−1.7 (8)
C21—B1—C11—C16	67.7 (7)	F53—C53—C54—F54	−0.1 (8)
C41—B1—C11—C12	135.0 (7)	C52—C53—C54—F54	−179.6 (5)
C31—B1—C11—C12	17.8 (9)	F53—C53—C54—C55	−178.9 (5)
C21—B1—C11—C12	−101.2 (7)	C52—C53—C54—C55	1.6 (8)
C16—C11—C12—F12	−178.1 (6)	F54—C54—C55—F55	0.3 (8)
B1—C11—C12—F12	−8.8 (11)	C53—C54—C55—F55	179.1 (5)
C16—C11—C12—C13	1.3 (10)	F54—C54—C55—C56	−179.0 (5)
B1—C11—C12—C13	170.6 (6)	C53—C54—C55—C56	−0.2 (8)
F12—C12—C13—F13	1.9 (10)	F55—C55—C56—F56	−2.3 (7)
C11—C12—C13—F13	−177.6 (7)	C54—C55—C56—F56	177.0 (4)
F12—C12—C13—C14	179.4 (7)	F55—C55—C56—C51	179.4 (4)
C11—C12—C13—C14	−0.1 (12)	C54—C55—C56—C51	−1.4 (8)
F13—C13—C14—F14	−2.2 (12)	C52—C51—C56—F56	−177.0 (4)
C12—C13—C14—F14	−179.7 (7)	B2—C51—C56—F56	−6.3 (6)
F13—C13—C14—C15	177.2 (7)	C52—C51—C56—C55	1.4 (6)
C12—C13—C14—C15	−0.3 (12)	B2—C51—C56—C55	172.0 (4)
C13—C14—C15—F15	180.0 (7)	C51—B2—C61—C66	−53.9 (5)
F14—C14—C15—F15	−0.6 (11)	C81—B2—C61—C66	−167.2 (3)
C13—C14—C15—C16	−0.6 (11)	C71—B2—C61—C66	69.9 (4)
F14—C14—C15—C16	178.8 (6)	C51—B2—C61—C62	130.4 (4)
C12—C11—C16—F16	178.1 (6)	C81—B2—C61—C62	17.1 (5)
B1—C11—C16—F16	8.0 (9)	C71—B2—C61—C62	−105.8 (4)
C12—C11—C16—C15	−2.3 (10)	C66—C61—C62—F62	−176.0 (3)
B1—C11—C16—C15	−172.4 (7)	B2—C61—C62—F62	−0.1 (6)
F15—C15—C16—C11	−178.5 (6)	C66—C61—C62—C63	3.6 (6)
C14—C15—C16—C11	2.0 (11)	B2—C61—C62—C63	179.5 (4)
F15—C15—C16—F16	1.0 (10)	F62—C62—C63—C64	177.3 (4)
C14—C15—C16—F16	−178.4 (6)	C61—C62—C63—C64	−2.4 (7)
C41—B1—C21—C22	14.4 (8)	F62—C62—C63—F63	−2.0 (5)
C31—B1—C21—C22	130.9 (6)	C61—C62—C63—F63	178.4 (3)
C11—B1—C21—C22	−108.5 (6)	F63—C63—C64—F64	−0.7 (7)
C41—B1—C21—C26	−172.5 (5)	C62—C63—C64—F64	180.0 (4)
C31—B1—C21—C26	−56.0 (6)	F63—C63—C64—C65	179.7 (4)
C11—B1—C21—C26	64.6 (6)	C62—C63—C64—C65	0.5 (7)
C26—C21—C22—F22	−177.3 (5)	F64—C64—C65—F65	1.9 (7)
B1—C21—C22—F22	−3.8 (8)	C63—C64—C65—F65	−178.6 (4)
C26—C21—C22—C23	2.1 (8)	F64—C64—C65—C66	−179.6 (4)
B1—C21—C22—C23	175.5 (5)	C63—C64—C65—C66	−0.1 (7)
F22—C22—C23—F23	−2.7 (8)	F65—C65—C66—F66	−0.3 (6)
C21—C22—C23—F23	177.9 (5)	C64—C65—C66—F66	−178.8 (4)
F22—C22—C23—C24	177.9 (5)	F65—C65—C66—C61	−179.9 (4)
C21—C22—C23—C24	−1.6 (9)	C64—C65—C66—C61	1.7 (7)
F23—C23—C24—F24	0.9 (9)	C62—C61—C66—F66	177.2 (3)
C22—C23—C24—F24	−179.7 (6)	B2—C61—C66—F66	0.9 (5)
F23—C23—C24—C25	179.9 (5)	C62—C61—C66—C65	−3.3 (6)
C22—C23—C24—C25	−0.7 (9)	B2—C61—C66—C65	−179.5 (4)
F24—C24—C25—F25	−1.8 (9)	C64—C63—F63—Li2	−133.1 (5)
C23—C24—C25—F25	179.2 (5)	C62—C63—F63—Li2	46.2 (7)
F24—C24—C25—C26	−178.9 (5)	F86^iv—Li2—F63—C63	−30.9 (9)
C23—C24—C25—C26	2.1 (9)	F74^iii—Li2—F63—C63	−101.3 (5)
C22—C21—C26—F26	179.0 (5)	F85^iv—Li2—F63—C63	33.3 (6)
B1—C21—C26—F26	4.8 (7)	C106—Li2—F63—C63	169.3 (5)
C22—C21—C26—C25	−0.6 (8)	C104—Li2—F63—C63	122.8 (6)
B1—C21—C26—C25	−174.7 (5)	C105—Li2—F63—C63	172.8 (4)
F25—C25—C26—F26	1.8 (8)	C102—Li2—F63—C63	106.6 (5)
C24—C25—C26—F26	178.9 (5)	C101—Li2—F63—C63	150.7 (4)
F25—C25—C26—C21	−178.6 (5)	C103—Li2—F63—C63	121.4 (5)
C24—C25—C26—C21	−1.5 (9)	C51—B2—C71—C72	−169.0 (4)
C21—C22—F22—Li1^i	170.7 (6)	C81—B2—C71—C72	−54.0 (5)
C23—C22—F22—Li1^i	−8.7 (7)	C61—B2—C71—C72	67.2 (5)
C24—C23—F23—Li1^i	−169.2 (6)	C51—B2—C71—C76	18.2 (6)
C22—C23—F23—Li1^i	11.4 (7)	C81—B2—C71—C76	133.2 (4)
C41—B1—C31—C32	105.9 (6)	C61—B2—C71—C76	−105.5 (4)
C21—B1—C31—C32	−17.9 (8)	C76—C71—C72—F72	177.6 (4)
C11—B1—C31—C32	−130.8 (6)	B2—C71—C72—F72	4.0 (6)
C41—B1—C31—C36	−68.8 (6)	C76—C71—C72—C73	−2.5 (6)
C21—B1—C31—C36	167.4 (5)	B2—C71—C72—C73	−176.0 (4)
C11—B1—C31—C36	54.5 (8)	F72—C72—C73—F73	2.2 (6)
C36—C31—C32—F32	175.8 (5)	C71—C72—C73—F73	−177.8 (4)
B1—C31—C32—F32	0.8 (9)	F72—C72—C73—C74	−178.8 (4)
C36—C31—C32—C33	−3.6 (8)	C71—C72—C73—C74	1.3 (7)
B1—C31—C32—C33	−178.6 (6)	F73—C73—C74—C75	−180.0 (4)
F32—C32—C33—F33	3.3 (8)	C72—C73—C74—C75	1.0 (6)
C31—C32—C33—F33	−177.3 (5)	F73—C73—C74—F74	−1.1 (6)
F32—C32—C33—C34	−178.1 (5)	C72—C73—C74—F74	179.9 (4)
C31—C32—C33—C34	1.4 (9)	F74—C74—C75—F75	−1.6 (6)
F33—C33—C34—F34	−0.7 (7)	C73—C74—C75—F75	177.2 (4)
C32—C33—C34—F34	−179.4 (5)	F74—C74—C75—C76	179.3 (4)
F33—C33—C34—C35	−179.7 (5)	C73—C74—C75—C76	−1.8 (7)
C32—C33—C34—C35	1.6 (8)	C72—C71—C76—F76	−176.0 (4)
F34—C34—C35—F35	0.2 (8)	B2—C71—C76—F76	−2.9 (7)
C33—C34—C35—F35	179.2 (5)	C72—C71—C76—C75	1.6 (6)
F34—C34—C35—C36	179.0 (5)	B2—C71—C76—C75	174.7 (4)
C33—C34—C35—C36	−2.0 (8)	C74—C75—C76—F76	178.2 (4)
C34—C35—C36—F36	179.7 (5)	F75—C75—C76—F76	−0.9 (6)
F35—C35—C36—F36	−1.5 (7)	C74—C75—C76—C71	0.5 (7)
C34—C35—C36—C31	−0.4 (8)	F75—C75—C76—C71	−178.6 (4)
F35—C35—C36—C31	178.4 (5)	C75—C74—F74—Li2^ii	94.9 (7)
C32—C31—C36—F36	−177.0 (5)	C73—C74—F74—Li2^ii	−84.0 (7)
B1—C31—C36—F36	−1.6 (8)	C51—B2—C81—C86	108.4 (4)
C32—C31—C36—C35	3.1 (8)	C71—B2—C81—C86	−14.1 (6)
B1—C31—C36—C35	178.5 (5)	C61—B2—C81—C86	−130.3 (4)
C34—C33—F33—Li1	133.7 (7)	C51—B2—C81—C82	−65.0 (4)
C32—C33—F33—Li1	−47.7 (9)	C71—B2—C81—C82	172.4 (4)
F22^i—Li1—F33—C33	31.2 (12)	C61—B2—C81—C82	56.3 (5)
F23^i—Li1—F33—C33	−32.5 (8)	C86—C81—C82—F82	−179.0 (4)
F44^ii—Li1—F33—C33	101.3 (7)	B2—C81—C82—F82	−4.5 (6)
C95—Li1—F33—C33	−168.6 (6)	C86—C81—C82—C83	2.3 (6)
C94—Li1—F33—C33	−122.5 (10)	B2—C81—C82—C83	176.9 (4)
C96—Li1—F33—C33	−173.2 (5)	F82—C82—C83—F83	1.3 (6)
C93—Li1—F33—C33	−106.1 (8)	C81—C82—C83—F83	180.0 (4)
C91—Li1—F33—C33	−151.0 (6)	F82—C82—C83—C84	179.3 (4)
C92—Li1—F33—C33	−121.0 (6)	C81—C82—C83—C84	−2.0 (7)
C31—B1—C41—C42	104.7 (6)	F83—C83—C84—F84	−1.8 (6)
C21—B1—C41—C42	−134.2 (6)	C82—C83—C84—F84	−179.9 (4)
C11—B1—C41—C42	−18.5 (8)	F83—C83—C84—C85	179.3 (4)
C31—B1—C41—C46	−67.4 (6)	C82—C83—C84—C85	1.2 (6)
C21—B1—C41—C46	53.7 (7)	F84—C84—C85—F85	0.0 (6)
C11—B1—C41—C46	169.4 (5)	C83—C84—C85—F85	178.9 (4)
C46—C41—C42—C43	−3.6 (8)	F84—C84—C85—C86	180.0 (4)
B1—C41—C42—C43	−176.1 (6)	C83—C84—C85—C86	−1.1 (6)
C46—C41—C42—F42	177.0 (5)	C82—C81—C86—C85	−2.2 (6)
B1—C41—C42—F42	4.4 (9)	B2—C81—C86—C85	−176.0 (4)
C41—C42—C43—F43	178.4 (5)	C82—C81—C86—F86	177.6 (3)
F42—C42—C43—F43	−2.1 (8)	B2—C81—C86—F86	3.7 (6)
C41—C42—C43—C44	2.3 (9)	F85—C85—C86—C81	−178.2 (4)
F42—C42—C43—C44	−178.2 (5)	C84—C85—C86—C81	1.8 (6)
F43—C43—C44—F44	4.1 (8)	F85—C85—C86—F86	2.0 (5)
C42—C43—C44—F44	−179.6 (5)	C84—C85—C86—F86	−178.0 (3)
F43—C43—C44—C45	−177.2 (5)	C84—C85—F85—Li2^iv	168.8 (4)
C42—C43—C44—C45	−0.9 (8)	C86—C85—F85—Li2^iv	−11.2 (5)
F44—C44—C45—F45	−0.7 (8)	C81—C86—F86—Li2^iv	−169.9 (4)
C43—C44—C45—F45	−179.3 (5)	C85—C86—F86—Li2^iv	9.9 (5)
F44—C44—C45—C46	179.9 (5)	F63—Li2—C101—C105	132.3 (5)
C43—C44—C45—C46	1.3 (8)	F86^iv—Li2—C101—C105	−45.0 (10)
C44—C45—C46—F46	177.8 (5)	F74^iii—Li2—C101—C105	51.1 (4)
F45—C45—C46—F46	−1.6 (8)	F85^iv—Li2—C101—C105	−150.8 (5)
C44—C45—C46—C41	−3.0 (9)	C106—Li2—C101—C105	−31.0 (3)
F45—C45—C46—C41	177.7 (5)	C104—Li2—C101—C105	−67.4 (4)
C42—C41—C46—F46	−176.9 (5)	C102—Li2—C101—C105	−101.7 (4)
B1—C41—C46—F46	−3.6 (8)	C103—Li2—C101—C105	−129.9 (5)
C42—C41—C46—C45	3.8 (8)	F63—Li2—C101—C103	−97.8 (4)
B1—C41—C46—C45	177.1 (5)	F86^iv—Li2—C101—C103	85.0 (10)
C45—C44—F44—Li1^iii	83.8 (10)	F74^iii—Li2—C101—C103	−179.0 (5)
C43—C44—F44—Li1^iii	−97.6 (9)	F85^iv—Li2—C101—C103	−20.9 (5)
F33—Li1—C91—C96	−133.4 (6)	C106—Li2—C101—C103	98.9 (4)
F22^i—Li1—C91—C96	43.0 (14)	C104—Li2—C101—C103	62.5 (4)
F23^i—Li1—C91—C96	148.9 (7)	C105—Li2—C101—C103	129.9 (5)
F44^ii—Li1—C91—C96	−51.7 (6)	C102—Li2—C101—C103	28.2 (3)
C95—Li1—C91—C96	31.3 (5)	F63—Li2—C102—C103	31.4 (4)
C94—Li1—C91—C96	66.0 (5)	F86^iv—Li2—C102—C103	176.5 (4)
C93—Li1—C91—C96	99.8 (6)	F74^iii—Li2—C102—C103	−85.6 (8)
C92—Li1—C91—C96	129.0 (8)	F85^iv—Li2—C102—C103	107.3 (4)
F33—Li1—C91—C92	97.6 (8)	C106—Li2—C102—C103	−96.6 (4)
F22^i—Li1—C91—C92	−86.0 (16)	C104—Li2—C102—C103	−127.9 (5)
F23^i—Li1—C91—C92	19.9 (8)	C105—Li2—C102—C103	−61.2 (4)
F44^ii—Li1—C91—C92	179.3 (8)	C101—Li2—C102—C103	−28.4 (3)
C95—Li1—C91—C92	−97.7 (7)	F63—Li2—C102—C104	159.3 (5)
C94—Li1—C91—C92	−63.0 (7)	F86^iv—Li2—C102—C104	−55.6 (4)
C96—Li1—C91—C92	−129.0 (8)	F74^iii—Li2—C102—C104	42.3 (8)
C93—Li1—C91—C92	−29.2 (6)	F85^iv—Li2—C102—C104	−124.7 (4)
C96—C91—C92—C93	1.0 (16)	C106—Li2—C102—C104	31.3 (3)
Li1—C91—C92—C93	58.8 (11)	C105—Li2—C102—C104	66.7 (4)
C96—C91—C92—Li1	−57.8 (9)	C101—Li2—C102—C104	99.6 (4)
F33—Li1—C92—C93	152.2 (10)	C103—Li2—C102—C104	127.9 (5)
F22^i—Li1—C92—C93	5.7 (14)	C104—C102—C103—C101	−0.6 (8)
F23^i—Li1—C92—C93	69.1 (8)	Li2—C102—C103—C101	58.5 (5)
F44^ii—Li1—C92—C93	−129.5 (11)	C104—C102—C103—Li2	−59.1 (5)
C95—Li1—C92—C93	−63.9 (8)	C105—C101—C103—C102	−0.9 (8)
C94—Li1—C92—C93	−29.0 (7)	Li2—C101—C103—C102	−57.7 (5)
C96—Li1—C92—C93	−99.5 (9)	C105—C101—C103—Li2	56.8 (5)
C91—Li1—C92—C93	−128.6 (12)	F63—Li2—C103—C102	−151.1 (4)
F33—Li1—C92—C91	−79.3 (7)	F86^iv—Li2—C103—C102	−5.0 (6)
F22^i—Li1—C92—C91	134.3 (11)	F74^iii—Li2—C103—C102	131.2 (6)
F23^i—Li1—C92—C91	−162.3 (7)	F85^iv—Li2—C103—C102	−69.0 (4)
F44^ii—Li1—C92—C91	−0.9 (11)	C106—Li2—C103—C102	66.2 (4)
C95—Li1—C92—C91	64.7 (7)	C104—Li2—C103—C102	30.0 (3)
C94—Li1—C92—C91	99.6 (8)	C105—Li2—C103—C102	101.4 (4)
C96—Li1—C92—C91	29.1 (6)	C101—Li2—C103—C102	129.8 (5)
C93—Li1—C92—C91	128.6 (12)	F63—Li2—C103—C101	79.1 (4)
C91—C92—C93—C94	−1.9 (17)	F86^iv—Li2—C103—C101	−134.8 (6)
Li1—C92—C93—C94	57.4 (10)	F74^iii—Li2—C103—C101	1.4 (6)
C91—C92—C93—Li1	−59.3 (10)	F85^iv—Li2—C103—C101	161.2 (4)
F33—Li1—C93—C94	−159.7 (8)	C106—Li2—C103—C101	−63.6 (4)
F22^i—Li1—C93—C94	54.9 (8)	C104—Li2—C103—C101	−99.8 (4)
F23^i—Li1—C93—C94	123.5 (6)	C105—Li2—C103—C101	−28.3 (3)
F44^ii—Li1—C93—C94	−39.8 (12)	C102—Li2—C103—C101	−129.8 (5)
C95—Li1—C93—C94	−30.8 (5)	C103—C102—C104—C106	2.2 (8)
C96—Li1—C93—C94	−66.2 (6)	Li2—C102—C104—C106	−60.9 (5)
C91—Li1—C93—C94	−100.1 (8)	C103—C102—C104—Li2	63.1 (5)
C92—Li1—C93—C94	−129.2 (11)	F63—Li2—C104—C102	−30.6 (7)
F33—Li1—C93—C92	−30.5 (10)	F86^iv—Li2—C104—C102	128.6 (4)
F22^i—Li1—C93—C92	−176.0 (10)	F74^iii—Li2—C104—C102	−155.4 (5)
F23^i—Li1—C93—C92	−107.3 (9)	F85^iv—Li2—C104—C102	53.8 (4)
F44^ii—Li1—C93—C92	89.3 (13)	C106—Li2—C104—C102	−126.6 (5)
C95—Li1—C93—C92	98.4 (9)	C105—Li2—C104—C102	−95.5 (4)
C94—Li1—C93—C92	129.2 (11)	C101—Li2—C104—C102	−61.9 (3)
C96—Li1—C93—C92	62.9 (8)	C103—Li2—C104—C102	−28.9 (3)
C91—Li1—C93—C92	29.1 (8)	F63—Li2—C104—C106	95.9 (7)
C92—C93—C94—C95	2.5 (15)	F86^iv—Li2—C104—C106	−104.8 (5)
Li1—C93—C94—C95	63.4 (8)	F74^iii—Li2—C104—C106	−28.8 (5)
C92—C93—C94—Li1	−60.8 (11)	F85^iv—Li2—C104—C106	−179.6 (5)
F33—Li1—C94—C95	−95.8 (12)	C105—Li2—C104—C106	31.1 (4)
F22^i—Li1—C94—C95	104.9 (6)	C102—Li2—C104—C106	126.6 (5)
F23^i—Li1—C94—C95	178.6 (6)	C101—Li2—C104—C106	64.7 (4)
F44^ii—Li1—C94—C95	30.2 (7)	C103—Li2—C104—C106	97.7 (4)
C96—Li1—C94—C95	−30.1 (5)	C103—C101—C105—C106	0.9 (8)
C93—Li1—C94—C95	−126.4 (8)	Li2—C101—C105—C106	60.8 (5)
C91—Li1—C94—C95	−64.2 (5)	C103—C101—C105—Li2	−60.0 (5)
C92—Li1—C94—C95	−97.6 (6)	F63—Li2—C105—C101	−48.4 (5)
F33—Li1—C94—C93	30.6 (12)	F86^iv—Li2—C105—C101	155.2 (6)
F22^i—Li1—C94—C93	−128.7 (7)	F74^iii—Li2—C105—C101	−131.8 (4)
F23^i—Li1—C94—C93	−55.0 (6)	F85^iv—Li2—C105—C101	43.1 (7)
F44^ii—Li1—C94—C93	156.6 (8)	C106—Li2—C105—C101	126.9 (5)
C95—Li1—C94—C93	126.4 (8)	C104—Li2—C105—C101	95.1 (4)
C96—Li1—C94—C93	96.3 (6)	C102—Li2—C105—C101	60.7 (4)
C91—Li1—C94—C93	62.2 (6)	C103—Li2—C105—C101	28.2 (3)
C92—Li1—C94—C93	28.7 (6)	F63—Li2—C105—C106	−175.2 (5)
C93—C94—C95—C96	−2.2 (12)	F86^iv—Li2—C105—C106	28.4 (6)
Li1—C94—C95—C96	64.2 (7)	F74^iii—Li2—C105—C106	101.4 (4)
C93—C94—C95—Li1	−66.4 (9)	F85^iv—Li2—C105—C106	−83.8 (7)
F33—Li1—C95—C94	119.3 (9)	C104—Li2—C105—C106	−31.7 (3)
F22^i—Li1—C95—C94	−76.5 (6)	C102—Li2—C105—C106	−66.2 (4)
F23^i—Li1—C95—C94	−1.7 (8)	C101—Li2—C105—C106	−126.9 (5)
F44^ii—Li1—C95—C94	−154.6 (6)	C103—Li2—C105—C106	−98.7 (4)
C96—Li1—C95—C94	127.9 (8)	C101—C105—C106—C104	0.7 (8)
C93—Li1—C95—C94	30.2 (5)	Li2—C105—C106—C104	66.4 (5)
C91—Li1—C95—C94	97.8 (6)	C101—C105—C106—Li2	−65.7 (5)
C92—Li1—C95—C94	64.1 (5)	C102—C104—C106—C105	−2.2 (8)
F33—Li1—C95—C96	−8.5 (10)	Li2—C104—C106—C105	−67.1 (5)
F22^i—Li1—C95—C96	155.6 (7)	C102—C104—C106—Li2	64.9 (5)
F23^i—Li1—C95—C96	−129.6 (8)	F63—Li2—C106—C105	6.4 (7)
F44^ii—Li1—C95—C96	77.6 (6)	F86^iv—Li2—C106—C105	−157.3 (5)
C94—Li1—C95—C96	−127.9 (8)	F74^iii—Li2—C106—C105	−78.9 (4)
C93—Li1—C95—C96	−97.6 (6)	F85^iv—Li2—C106—C105	125.7 (6)
C91—Li1—C95—C96	−30.0 (5)	C104—Li2—C106—C105	125.2 (5)
C92—Li1—C95—C96	−63.8 (6)	C102—Li2—C106—C105	95.4 (4)
C92—C91—C96—C95	−0.7 (13)	C101—Li2—C106—C105	29.3 (3)
Li1—C91—C96—C95	−61.0 (7)	C103—Li2—C106—C105	62.3 (4)
C92—C91—C96—Li1	60.4 (10)	F63—Li2—C106—C104	−118.8 (7)
C94—C95—C96—C91	1.3 (12)	F86^iv—Li2—C106—C104	77.5 (4)
Li1—C95—C96—C91	64.8 (8)	F74^iii—Li2—C106—C104	156.0 (4)
C94—C95—C96—Li1	−63.5 (7)	F85^iv—Li2—C106—C104	0.5 (6)
F33—Li1—C96—C91	47.5 (6)	C105—Li2—C106—C104	−125.2 (5)
F22^i—Li1—C96—C91	−156.3 (8)	C102—Li2—C106—C104	−29.8 (3)
F23^i—Li1—C96—C91	−47.1 (9)	C101—Li2—C106—C104	−95.9 (4)
F44^ii—Li1—C96—C91	131.2 (5)	C103—Li2—C106—C104	−62.8 (4)
C95—Li1—C96—C91	−126.2 (8)	C116—C111—C112—C113	−1.2 (18)
C94—Li1—C96—C91	−96.7 (6)	C111—C112—C113—C114	0.3 (19)
C93—Li1—C96—C91	−62.4 (5)	C112—C113—C114—C115	1 (3)
C92—Li1—C96—C91	−28.8 (5)	C112—C113—C114—C114^v	176 (4)
F33—Li1—C96—C95	173.8 (7)	C113—C114—C115—C116	−1 (4)
F22^i—Li1—C96—C95	−30.0 (8)	C114^v—C114—C115—C116	−178 (2)
F23^i—Li1—C96—C95	79.1 (10)	C114—C115—C116—C111	0 (3)
F44^ii—Li1—C96—C95	−102.6 (6)	C112—C111—C116—C115	1 (3)
C94—Li1—C96—C95	29.6 (5)	C125^vi—C121—C122—C123	176.8 (16)
C93—Li1—C96—C95	63.8 (5)	C121^vi—C121—C122—C123	0.0 (17)
C91—Li1—C96—C95	126.2 (8)	C121—C122—C123—C124	−2.2 (18)
C92—Li1—C96—C95	97.4 (6)	C122—C123—C124—C125	8 (3)
C81—B2—C51—C56	−68.0 (4)	C123—C124—C125—C121^vi	−11 (3)
C71—B2—C51—C56	54.7 (5)	C136—C131—C132—C133	0.7 (18)
C61—B2—C51—C56	172.2 (3)	C131—C132—C133—C134	−0.8 (18)
C81—B2—C51—C52	101.1 (5)	C132—C133—C134—C135	2 (3)
C71—B2—C51—C52	−136.2 (4)	C133—C134—C135—C136	−3 (3)
C61—B2—C51—C52	−18.8 (6)	C134—C135—C136—C131	3 (3)
C56—C51—C52—F52	179.5 (4)	C132—C131—C136—C135	−2 (3)
B2—C51—C52—F52	9.8 (6)	C141^vii—C141—C142—C143	−2.0 (17)
C56—C51—C52—C53	0.2 (6)	C145^vii—C141—C142—C143	177.3 (17)
B2—C51—C52—C53	−169.5 (4)	C141—C142—C143—C144	3 (2)
F52—C52—C53—F53	−0.6 (7)	C145—C144—C143—C142	−2 (2)
C51—C52—C53—F53	178.8 (4)	C143—C144—C145—C141^vii	−1 (3)

Symmetry codes: (i) −x, −y+2, −z+1; (ii) x−1, y, z; (iii) x+1, y, z; (iv) −x+2, −y+1, −z; (v) −x+1, −y, −z; (vi) −x, −y, −z; (vii) −x, −y+1, −z+1.