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
Key indicators
- Single-crystal X-ray study
- T = 173 K
- Mean (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
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. |