Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805022336/bv6022sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805022336/bv6022Isup2.hkl |
CCDC reference: 282259
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).
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) Å3 | 0.39 × 0.37 × 0.34 mm |
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 on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.094 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.246 | H-atom parameters constrained |
S = 1.08 | w = 1/[σ2(Fo2) + (0.0711P)2 + 17.0328P] where P = (Fo2 + 2Fc2)/3 |
12200 reflections | (Δ/σ)max < 0.001 |
1027 parameters | Δρmax = 1.10 e Å−3 |
72 restraints | Δρmin = −0.71 e Å−3 |
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. |
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) |
U11 | U22 | U33 | U12 | U13 | U23 | |
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) |
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—F22i | 2.071 (13) | C64—C65 | 1.400 (6) |
Li1—F23i | 2.232 (15) | C65—F65 | 1.347 (5) |
Li1—F44ii | 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—Li2ii | 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—Li2iv | 2.231 (8) |
C25—F25 | 1.340 (8) | F86—Li2iv | 2.047 (9) |
C25—C26 | 1.401 (8) | C101—C105 | 1.368 (9) |
C26—F26 | 1.354 (7) | C101—C103 | 1.396 (8) |
F22—Li1i | 2.071 (13) | C101—H101 | 0.9500 |
F23—Li1i | 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—C114v | 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—Li1iii | 2.238 (14) | C121—C125vi | 1.393 (8) |
C91—C96 | 1.401 (15) | C121—C121vi | 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—C121vi | 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—F86iv | 2.047 (9) | C133—C134 | 1.402 (9) |
Li2—F74iii | 2.213 (10) | C133—H133 | 0.9500 |
Li2—F85iv | 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—C141vii | 1.404 (8) |
Li2—C103 | 2.751 (11) | C141—C145vii | 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—C141vii | 1.414 (8) |
C61—C66 | 1.395 (6) | C145—H145 | 0.9500 |
C61—C62 | 1.397 (6) | ||
C41—B1—C31 | 102.8 (5) | F85iv—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—F22i | 127.1 (7) | C56—C51—C52 | 112.5 (4) |
F33—Li1—F23i | 83.0 (5) | C56—C51—B2 | 119.3 (4) |
F22i—Li1—F23i | 73.9 (5) | C52—C51—B2 | 127.4 (4) |
F33—Li1—F44ii | 84.5 (5) | F52—C52—C53 | 115.5 (4) |
F22i—Li1—F44ii | 77.7 (4) | F52—C52—C51 | 120.2 (4) |
F23i—Li1—F44ii | 132.2 (7) | C53—C52—C51 | 124.3 (4) |
F33—Li1—C95 | 134.4 (7) | F53—C53—C54 | 119.5 (4) |
F22i—Li1—C95 | 96.5 (5) | F53—C53—C52 | 120.5 (5) |
F23i—Li1—C95 | 126.7 (6) | C54—C53—C52 | 120.0 (5) |
F44ii—Li1—C95 | 93.9 (6) | F54—C54—C53 | 119.8 (5) |
F33—Li1—C94 | 141.2 (6) | F54—C54—C55 | 121.1 (5) |
F22i—Li1—C94 | 88.7 (4) | C53—C54—C55 | 119.1 (4) |
F23i—Li1—C94 | 95.5 (5) | F55—C55—C56 | 121.7 (5) |
F44ii—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) |
F22i—Li1—C96 | 125.0 (6) | F56—C56—C51 | 119.0 (4) |
F23i—Li1—C96 | 141.0 (6) | C55—C56—C51 | 125.1 (5) |
F44ii—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) |
F22i—Li1—C93 | 107.4 (5) | F62—C62—C61 | 121.6 (4) |
F23i—Li1—C93 | 78.0 (5) | C63—C62—C61 | 123.1 (4) |
F44ii—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) |
F22i—Li1—C91 | 151.1 (7) | C63—C64—C65 | 118.3 (4) |
F23i—Li1—C91 | 116.8 (6) | F65—C65—C66 | 122.2 (4) |
F44ii—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) |
F22i—Li1—C92 | 137.7 (6) | C72—C71—C76 | 114.2 (3) |
F23i—Li1—C92 | 88.1 (5) | C72—C71—B2 | 119.8 (3) |
F44ii—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—Li2ii | 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—Li2iv | 110.9 (3) |
F25—C25—C24 | 120.3 (5) | C86—F86—Li2iv | 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—Li1i | 120.0 (5) | Li2—C101—H101 | 125.3 |
C23—F23—Li1i | 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—Li1iii | 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—C114v | 96.5 (16) |
C92—C91—Li1 | 76.0 (7) | C113—C114—C114v | 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 | C114v—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—C125vi | 120.0 (7) |
C94—C93—Li1 | 70.1 (5) | C122—C121—C121vi | 119.2 (7) |
C92—C93—Li1 | 77.0 (6) | C125vi—C121—C121vi | 120.6 (7) |
C94—C93—H93 | 119.9 | C122—C121—H121 | 120.7 |
C92—C93—H93 | 119.9 | C125vi—C121—H121 | 2.5 |
Li1—C93—H93 | 124.5 | C121vi—C121—H121 | 120.1 |
C95—C94—C93 | 120.3 (7) | C122—C121—H12' | 2.6 |
C95—C94—Li1 | 73.4 (5) | C125vi—C121—H12' | 119.8 |
C93—C94—Li1 | 79.3 (6) | C121vi—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 | C121vi—C125—C124 | 119.5 (7) |
Li1—C96—H96 | 120.6 | C121vi—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—F86iv | 126.8 (4) | C131—C132—H132 | 119.7 |
F63—Li2—F74iii | 84.1 (3) | C132—C133—C134 | 120.4 (7) |
F86iv—Li2—F74iii | 78.1 (3) | C132—C133—H133 | 119.8 |
F63—Li2—F85iv | 82.0 (3) | C134—C133—H133 | 119.8 |
F86iv—Li2—F85iv | 74.8 (3) | C135—C134—C133 | 119.2 (7) |
F74iii—Li2—F85iv | 132.6 (4) | C135—C134—H134 | 120.4 |
F63—Li2—C106 | 133.1 (4) | C133—C134—H134 | 120.4 |
F86iv—Li2—C106 | 98.0 (4) | C136—C135—C134 | 121.1 (7) |
F74iii—Li2—C106 | 93.6 (3) | C136—C135—H135 | 119.5 |
F85iv—Li2—C106 | 128.0 (4) | C134—C135—H135 | 119.5 |
F63—Li2—C104 | 139.9 (5) | C135—C136—C131 | 119.8 (7) |
F86iv—Li2—C104 | 90.2 (3) | C135—C136—H136 | 120.1 |
F74iii—Li2—C104 | 122.6 (4) | C131—C136—H136 | 120.1 |
F85iv—Li2—C104 | 95.8 (4) | C141vii—C141—C145vii | 120.6 (7) |
C106—Li2—C104 | 32.2 (2) | C141vii—C141—C142 | 117.5 (7) |
F63—Li2—C105 | 101.7 (4) | C145vii—C141—C142 | 121.9 (7) |
F86iv—Li2—C105 | 126.6 (4) | C141vii—C141—H141 | 120.8 |
F74iii—Li2—C105 | 87.3 (3) | C145vii—C141—H141 | 0.2 |
F85iv—Li2—C105 | 139.9 (5) | C142—C141—H141 | 121.7 |
C106—Li2—C105 | 31.5 (2) | C141vii—C141—H14' | 119.8 |
C104—Li2—C105 | 55.9 (2) | C145vii—C141—H14' | 119.6 |
F63—Li2—C102 | 112.1 (4) | C142—C141—H14' | 2.3 |
F86iv—Li2—C102 | 108.7 (4) | H141—C141—H14' | 119.4 |
F74iii—Li2—C102 | 148.6 (4) | C143—C142—C141 | 121.9 (7) |
F85iv—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 |
F86iv—Li2—C101 | 151.6 (4) | C145—C144—C143 | 118.0 (7) |
F74iii—Li2—C101 | 106.8 (3) | C145—C144—H144 | 121.0 |
F85iv—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—C141vii | 121.5 (7) |
F63—Li2—C103 | 86.5 (3) | C144—C145—H145 | 119.2 |
F86iv—Li2—C103 | 138.1 (4) | C141vii—C145—H145 | 119.2 |
F74iii—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) | F86iv—Li2—F63—C63 | −30.9 (9) |
C23—C24—C25—C26 | 2.1 (9) | F74iii—Li2—F63—C63 | −101.3 (5) |
C22—C21—C26—F26 | 179.0 (5) | F85iv—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—Li1i | 170.7 (6) | C81—B2—C71—C72 | −54.0 (5) |
C23—C22—F22—Li1i | −8.7 (7) | C61—B2—C71—C72 | 67.2 (5) |
C24—C23—F23—Li1i | −169.2 (6) | C51—B2—C71—C76 | 18.2 (6) |
C22—C23—F23—Li1i | 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—Li2ii | 94.9 (7) |
C32—C31—C36—F36 | −177.0 (5) | C73—C74—F74—Li2ii | −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) |
F22i—Li1—F33—C33 | 31.2 (12) | C61—B2—C81—C82 | 56.3 (5) |
F23i—Li1—F33—C33 | −32.5 (8) | C86—C81—C82—F82 | −179.0 (4) |
F44ii—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—Li2iv | 168.8 (4) |
C42—C43—C44—C45 | −0.9 (8) | C86—C85—F85—Li2iv | −11.2 (5) |
F44—C44—C45—F45 | −0.7 (8) | C81—C86—F86—Li2iv | −169.9 (4) |
C43—C44—C45—F45 | −179.3 (5) | C85—C86—F86—Li2iv | 9.9 (5) |
F44—C44—C45—C46 | 179.9 (5) | F63—Li2—C101—C105 | 132.3 (5) |
C43—C44—C45—C46 | 1.3 (8) | F86iv—Li2—C101—C105 | −45.0 (10) |
C44—C45—C46—F46 | 177.8 (5) | F74iii—Li2—C101—C105 | 51.1 (4) |
F45—C45—C46—F46 | −1.6 (8) | F85iv—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) | F86iv—Li2—C101—C103 | 85.0 (10) |
C45—C44—F44—Li1iii | 83.8 (10) | F74iii—Li2—C101—C103 | −179.0 (5) |
C43—C44—F44—Li1iii | −97.6 (9) | F85iv—Li2—C101—C103 | −20.9 (5) |
F33—Li1—C91—C96 | −133.4 (6) | C106—Li2—C101—C103 | 98.9 (4) |
F22i—Li1—C91—C96 | 43.0 (14) | C104—Li2—C101—C103 | 62.5 (4) |
F23i—Li1—C91—C96 | 148.9 (7) | C105—Li2—C101—C103 | 129.9 (5) |
F44ii—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) | F86iv—Li2—C102—C103 | 176.5 (4) |
C93—Li1—C91—C96 | 99.8 (6) | F74iii—Li2—C102—C103 | −85.6 (8) |
C92—Li1—C91—C96 | 129.0 (8) | F85iv—Li2—C102—C103 | 107.3 (4) |
F33—Li1—C91—C92 | 97.6 (8) | C106—Li2—C102—C103 | −96.6 (4) |
F22i—Li1—C91—C92 | −86.0 (16) | C104—Li2—C102—C103 | −127.9 (5) |
F23i—Li1—C91—C92 | 19.9 (8) | C105—Li2—C102—C103 | −61.2 (4) |
F44ii—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) | F86iv—Li2—C102—C104 | −55.6 (4) |
C96—Li1—C91—C92 | −129.0 (8) | F74iii—Li2—C102—C104 | 42.3 (8) |
C93—Li1—C91—C92 | −29.2 (6) | F85iv—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) |
F22i—Li1—C92—C93 | 5.7 (14) | C104—C102—C103—C101 | −0.6 (8) |
F23i—Li1—C92—C93 | 69.1 (8) | Li2—C102—C103—C101 | 58.5 (5) |
F44ii—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) | F86iv—Li2—C103—C102 | −5.0 (6) |
F22i—Li1—C92—C91 | 134.3 (11) | F74iii—Li2—C103—C102 | 131.2 (6) |
F23i—Li1—C92—C91 | −162.3 (7) | F85iv—Li2—C103—C102 | −69.0 (4) |
F44ii—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) | F86iv—Li2—C103—C101 | −134.8 (6) |
Li1—C92—C93—C94 | 57.4 (10) | F74iii—Li2—C103—C101 | 1.4 (6) |
C91—C92—C93—Li1 | −59.3 (10) | F85iv—Li2—C103—C101 | 161.2 (4) |
F33—Li1—C93—C94 | −159.7 (8) | C106—Li2—C103—C101 | −63.6 (4) |
F22i—Li1—C93—C94 | 54.9 (8) | C104—Li2—C103—C101 | −99.8 (4) |
F23i—Li1—C93—C94 | 123.5 (6) | C105—Li2—C103—C101 | −28.3 (3) |
F44ii—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) | F86iv—Li2—C104—C102 | 128.6 (4) |
F22i—Li1—C93—C92 | −176.0 (10) | F74iii—Li2—C104—C102 | −155.4 (5) |
F23i—Li1—C93—C92 | −107.3 (9) | F85iv—Li2—C104—C102 | 53.8 (4) |
F44ii—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) | F86iv—Li2—C104—C106 | −104.8 (5) |
Li1—C93—C94—C95 | 63.4 (8) | F74iii—Li2—C104—C106 | −28.8 (5) |
C92—C93—C94—Li1 | −60.8 (11) | F85iv—Li2—C104—C106 | −179.6 (5) |
F33—Li1—C94—C95 | −95.8 (12) | C105—Li2—C104—C106 | 31.1 (4) |
F22i—Li1—C94—C95 | 104.9 (6) | C102—Li2—C104—C106 | 126.6 (5) |
F23i—Li1—C94—C95 | 178.6 (6) | C101—Li2—C104—C106 | 64.7 (4) |
F44ii—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) | F86iv—Li2—C105—C101 | 155.2 (6) |
F22i—Li1—C94—C93 | −128.7 (7) | F74iii—Li2—C105—C101 | −131.8 (4) |
F23i—Li1—C94—C93 | −55.0 (6) | F85iv—Li2—C105—C101 | 43.1 (7) |
F44ii—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) | F86iv—Li2—C105—C106 | 28.4 (6) |
Li1—C94—C95—C96 | 64.2 (7) | F74iii—Li2—C105—C106 | 101.4 (4) |
C93—C94—C95—Li1 | −66.4 (9) | F85iv—Li2—C105—C106 | −83.8 (7) |
F33—Li1—C95—C94 | 119.3 (9) | C104—Li2—C105—C106 | −31.7 (3) |
F22i—Li1—C95—C94 | −76.5 (6) | C102—Li2—C105—C106 | −66.2 (4) |
F23i—Li1—C95—C94 | −1.7 (8) | C101—Li2—C105—C106 | −126.9 (5) |
F44ii—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) |
F22i—Li1—C95—C96 | 155.6 (7) | C102—C104—C106—Li2 | 64.9 (5) |
F23i—Li1—C95—C96 | −129.6 (8) | F63—Li2—C106—C105 | 6.4 (7) |
F44ii—Li1—C95—C96 | 77.6 (6) | F86iv—Li2—C106—C105 | −157.3 (5) |
C94—Li1—C95—C96 | −127.9 (8) | F74iii—Li2—C106—C105 | −78.9 (4) |
C93—Li1—C95—C96 | −97.6 (6) | F85iv—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) | F86iv—Li2—C106—C104 | 77.5 (4) |
Li1—C95—C96—C91 | 64.8 (8) | F74iii—Li2—C106—C104 | 156.0 (4) |
C94—C95—C96—Li1 | −63.5 (7) | F85iv—Li2—C106—C104 | 0.5 (6) |
F33—Li1—C96—C91 | 47.5 (6) | C105—Li2—C106—C104 | −125.2 (5) |
F22i—Li1—C96—C91 | −156.3 (8) | C102—Li2—C106—C104 | −29.8 (3) |
F23i—Li1—C96—C91 | −47.1 (9) | C101—Li2—C106—C104 | −95.9 (4) |
F44ii—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—C114v | 176 (4) |
F33—Li1—C96—C95 | 173.8 (7) | C113—C114—C115—C116 | −1 (4) |
F22i—Li1—C96—C95 | −30.0 (8) | C114v—C114—C115—C116 | −178 (2) |
F23i—Li1—C96—C95 | 79.1 (10) | C114—C115—C116—C111 | 0 (3) |
F44ii—Li1—C96—C95 | −102.6 (6) | C112—C111—C116—C115 | 1 (3) |
C94—Li1—C96—C95 | 29.6 (5) | C125vi—C121—C122—C123 | 176.8 (16) |
C93—Li1—C96—C95 | 63.8 (5) | C121vi—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—C121vi | −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) | C141vii—C141—C142—C143 | −2.0 (17) |
C56—C51—C52—C53 | 0.2 (6) | C145vii—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—C141vii | −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. |