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The mol­ecule of the title compound, [Li6(C9H6NO)6], is a centrosymmetric hexa­mer consisting of two stacked ring trimers. In addition to the O atom of the quinolin-8-olate, the quinoline N atom is also involved in coordination to lithium, resulting in a coordination number of four for each Li atom in the structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806015601/hk2033sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806015601/hk2033Isup2.hkl
Contains datablock I

CCDC reference: 610806

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.061
  • wR factor = 0.191
  • Data-to-parameter ratio = 16.2

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for C12 - C13 .. 7.26 su PLAT230_ALERT_2_B Hirshfeld Test Diff for C14 - C15 .. 11.29 su
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.697 0.987 Tmin(prime) and Tmax expected: 0.937 0.996 RR(prime) = 0.750 Please check that your absorption correction is appropriate. RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.108 PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.11 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 PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.75 PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size ....... 0.76 mm PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C14 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C25 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.23 Ratio
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: COLLECT (Nonius, 2000); cell refinement: DENZO and SCALEPACK (Otwinowski & Minor, 1997)'; data reduction: DENZO and SCALEPACK; program(s) used to solve structure: SHELXTL (Bruker, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL and Materials Studio (Accelrys, 2002); software used to prepare material for publication: SHELXTL.

cyclo-Tris(µ-quinolin-8-olato)trilithium(I) top
Crystal data top
[Li3(C9H6NO)3]Z = 2
Mr = 453.27F(000) = 468
Triclinic, P1Dx = 1.309 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.6725 (3) ÅCell parameters from 9226 reflections
b = 11.765 (4) Åθ = 1.0–27.5°
c = 11.8623 (4) ŵ = 0.08 mm1
α = 63.043 (1)°T = 296 K
β = 74.089 (1)°Plate, yellow
γ = 77.357 (1)°0.76 × 0.45 × 0.05 mm
V = 1150.0 (4) Å3
Data collection top
Nonius Kappa CCD
diffractometer
5275 independent reflections
Radiation source: fine-focus sealed tube2683 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.108
Detector resolution: 9 pixels mm-1θmax = 27.6°, θmin = 4.1°
ω scansh = 1212
Absorption correction: multi-scan
(SORTAV; Blessing, 1995)
k = 1515
Tmin = 0.697, Tmax = 0.987l = 1515
20408 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.061Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.191H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0983P)2]
where P = (Fo2 + 2Fc2)/3
5275 reflections(Δ/σ)max < 0.001
325 parametersΔρmax = 0.19 e Å3
0 restraintsΔρmin = 0.24 e Å3
Special details top

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

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
O10.13279 (15)0.44049 (14)0.34206 (13)0.0525 (4)
O20.16845 (16)0.55865 (14)0.54821 (13)0.0544 (4)
O30.01466 (16)0.30751 (13)0.66942 (13)0.0546 (4)
N10.1355 (2)0.18428 (18)0.44237 (16)0.0534 (5)
C10.2184 (2)0.2440 (2)0.32157 (18)0.0458 (5)
C20.2109 (2)0.3806 (2)0.2681 (2)0.0469 (5)
N20.3805 (2)0.63742 (18)0.33723 (19)0.0586 (5)
N30.0193 (2)0.32295 (19)0.88169 (18)0.0588 (5)
C200.0716 (2)0.2202 (2)0.78630 (19)0.0508 (5)
C30.2857 (3)0.4424 (2)0.1455 (2)0.0588 (6)
H30.27780.53150.10700.071*
C60.3114 (2)0.1739 (2)0.2542 (2)0.0559 (6)
C100.3925 (2)0.64854 (19)0.4440 (2)0.0502 (5)
C110.2790 (2)0.6056 (2)0.5554 (2)0.0518 (5)
C190.0596 (2)0.2302 (2)0.89885 (19)0.0520 (6)
C80.2412 (3)0.0181 (3)0.4369 (3)0.0787 (8)
H80.24810.10720.47920.094*
C150.5101 (3)0.7004 (2)0.4433 (3)0.0657 (7)
C50.3895 (3)0.2423 (3)0.1289 (2)0.0701 (7)
H50.45060.19830.08260.084*
C90.1487 (3)0.0570 (2)0.4961 (2)0.0669 (7)
H90.09320.01560.57780.080*
C40.3750 (3)0.3734 (3)0.0758 (2)0.0687 (7)
H40.42470.41800.00760.082*
C70.3199 (3)0.0396 (3)0.3186 (3)0.0737 (8)
H70.38110.00990.27830.088*
C210.1436 (3)0.1253 (2)0.8030 (3)0.0705 (7)
H210.14850.11530.73080.085*
C120.2908 (3)0.6152 (2)0.6623 (2)0.0730 (7)
H120.21950.58700.73670.088*
C240.1278 (3)0.1470 (3)1.0225 (2)0.0706 (7)
C270.0328 (3)0.3297 (3)0.9872 (3)0.0774 (8)
H270.08830.39000.97760.093*
C180.4828 (3)0.6781 (3)0.2337 (3)0.0825 (9)
H180.47420.67070.16120.099*
C160.6169 (3)0.7402 (3)0.3265 (4)0.0885 (10)
H160.69810.77320.32220.106*
C170.6001 (4)0.7300 (3)0.2240 (4)0.0989 (11)
H170.66760.75810.14690.119*
C140.5155 (4)0.7094 (3)0.5554 (4)0.1003 (12)
H140.59190.74450.55700.120*
C260.0329 (4)0.2498 (4)1.1120 (3)0.0995 (11)
H260.02060.25751.18320.119*
C130.4091 (5)0.6670 (3)0.6624 (3)0.0988 (11)
H130.41460.67230.73700.119*
C230.2075 (4)0.0516 (3)1.0321 (3)0.0922 (10)
H230.25630.00281.11170.111*
C250.1131 (4)0.1628 (4)1.1283 (3)0.1020 (11)
H250.15980.11221.21080.122*
C220.2097 (3)0.0431 (3)0.9229 (3)0.0884 (9)
H220.25760.02050.92900.106*
Li10.1976 (4)0.5615 (3)0.3804 (3)0.0546 (9)
Li20.0182 (4)0.3229 (3)0.4963 (3)0.0521 (9)
Li30.0466 (4)0.4381 (4)0.6909 (3)0.0527 (9)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O10.0514 (9)0.0558 (9)0.0535 (9)0.0090 (7)0.0005 (7)0.0305 (7)
O20.0498 (9)0.0629 (9)0.0523 (9)0.0142 (7)0.0052 (7)0.0249 (7)
O30.0655 (10)0.0510 (9)0.0445 (8)0.0120 (7)0.0026 (7)0.0199 (7)
N10.0537 (11)0.0599 (12)0.0519 (10)0.0073 (9)0.0108 (9)0.0273 (9)
C10.0440 (12)0.0554 (12)0.0462 (11)0.0058 (9)0.0097 (9)0.0277 (10)
C20.0411 (12)0.0578 (13)0.0520 (12)0.0044 (9)0.0079 (9)0.0331 (10)
N20.0502 (12)0.0541 (11)0.0690 (12)0.0073 (9)0.0018 (10)0.0286 (9)
N30.0538 (12)0.0682 (12)0.0575 (11)0.0002 (10)0.0105 (9)0.0323 (10)
C200.0544 (13)0.0491 (12)0.0464 (12)0.0016 (10)0.0109 (10)0.0192 (10)
C30.0610 (15)0.0581 (13)0.0584 (14)0.0115 (11)0.0037 (11)0.0278 (11)
C60.0543 (14)0.0619 (14)0.0627 (14)0.0016 (11)0.0124 (11)0.0388 (12)
C100.0404 (12)0.0386 (11)0.0695 (14)0.0035 (9)0.0148 (10)0.0190 (10)
C110.0521 (13)0.0445 (11)0.0568 (13)0.0029 (10)0.0158 (11)0.0179 (10)
C190.0500 (13)0.0551 (13)0.0417 (11)0.0006 (10)0.0063 (9)0.0171 (10)
C80.095 (2)0.0513 (15)0.088 (2)0.0043 (14)0.0269 (17)0.0285 (14)
C150.0547 (15)0.0464 (13)0.0956 (19)0.0027 (11)0.0341 (15)0.0200 (13)
C50.0641 (16)0.0877 (19)0.0724 (17)0.0010 (14)0.0005 (13)0.0567 (15)
C90.0789 (18)0.0577 (15)0.0585 (14)0.0131 (13)0.0155 (13)0.0160 (12)
C40.0683 (17)0.0825 (18)0.0551 (14)0.0160 (14)0.0081 (12)0.0369 (13)
C70.0770 (19)0.0669 (17)0.0887 (19)0.0086 (14)0.0197 (15)0.0480 (15)
C210.0815 (19)0.0557 (14)0.0705 (16)0.0109 (13)0.0200 (14)0.0191 (13)
C120.096 (2)0.0649 (16)0.0619 (15)0.0093 (14)0.0280 (14)0.0226 (12)
C240.0703 (17)0.0761 (17)0.0423 (13)0.0002 (14)0.0053 (11)0.0122 (12)
C270.0710 (18)0.099 (2)0.0838 (19)0.0074 (15)0.0280 (15)0.0570 (17)
C180.0681 (19)0.0821 (19)0.0857 (19)0.0143 (15)0.0196 (15)0.0423 (16)
C160.0397 (15)0.0560 (15)0.142 (3)0.0159 (12)0.0119 (17)0.0164 (18)
C170.065 (2)0.085 (2)0.117 (3)0.0129 (16)0.0186 (19)0.035 (2)
C140.105 (3)0.0653 (18)0.138 (3)0.0176 (18)0.076 (2)0.0170 (19)
C260.113 (3)0.135 (3)0.0533 (18)0.016 (2)0.0275 (17)0.0484 (19)
C130.159 (4)0.0735 (19)0.089 (2)0.007 (2)0.075 (2)0.0297 (17)
C230.092 (2)0.0716 (19)0.0680 (19)0.0228 (16)0.0023 (16)0.0046 (14)
C250.111 (3)0.124 (3)0.0468 (16)0.003 (2)0.0105 (16)0.0254 (18)
C220.097 (2)0.0637 (17)0.091 (2)0.0248 (16)0.0214 (18)0.0124 (16)
Li10.049 (2)0.052 (2)0.055 (2)0.0134 (17)0.0023 (17)0.0206 (16)
Li20.064 (2)0.0492 (19)0.0471 (19)0.0122 (17)0.0124 (17)0.0205 (16)
Li30.054 (2)0.063 (2)0.0425 (18)0.0083 (17)0.0044 (16)0.0259 (16)
Geometric parameters (Å, º) top
O1—C21.342 (2)C15—C161.430 (4)
O1—Li21.937 (4)C5—C41.366 (4)
O1—Li11.939 (4)C5—H50.9300
O1—Li3i1.996 (4)C9—H90.9300
O2—C111.345 (3)C4—H40.9300
O2—Li11.918 (4)C7—H70.9300
O2—Li31.930 (4)C21—C221.375 (4)
O2—Li2i2.058 (4)C21—H210.9300
O3—C201.348 (2)C12—C131.410 (4)
O3—Li31.901 (4)C12—H120.9300
O3—Li21.919 (4)C24—C251.397 (4)
O3—Li1i2.100 (4)C24—C231.442 (4)
N1—C91.327 (3)C27—C261.401 (4)
N1—C11.376 (3)C27—H270.9300
N1—Li22.023 (4)C18—C171.356 (5)
C1—C61.416 (3)C18—H180.9300
C1—C21.428 (3)C16—C171.330 (5)
C2—C31.365 (3)C16—H160.9300
N2—C181.313 (3)C17—H170.9300
N2—C101.368 (3)C14—C131.361 (4)
N2—Li11.992 (4)C14—H140.9300
N3—C271.332 (3)C26—C251.331 (5)
N3—C191.376 (3)C26—H260.9300
N3—Li32.019 (4)C13—H130.9300
C20—C211.355 (3)C23—C221.349 (4)
C20—C191.429 (3)C23—H230.9300
C20—Li1i2.709 (4)C25—H250.9300
C3—C41.413 (3)C22—H220.9300
C3—H30.9300Li1—O3i2.100 (4)
C6—C71.404 (3)Li1—Li2i2.690 (5)
C6—C51.412 (3)Li1—C20i2.709 (4)
C10—C151.401 (3)Li1—Li3i2.718 (5)
C10—C111.431 (3)Li2—O2i2.058 (4)
C11—C121.359 (3)Li2—Li1i2.690 (5)
C19—C241.412 (3)Li2—Li3i2.749 (5)
C8—C71.337 (4)Li3—O1i1.996 (4)
C8—C91.395 (4)Li3—Li1i2.718 (5)
C8—H80.9300Li3—Li2i2.749 (5)
C15—C141.397 (4)
C2—O1—Li2110.58 (17)N3—C27—C26122.8 (3)
C2—O1—Li1126.77 (16)N3—C27—H27118.6
Li2—O1—Li1110.17 (16)C26—C27—H27118.6
C2—O1—Li3i126.05 (16)N2—C18—C17125.3 (3)
Li2—O1—Li3i88.68 (16)N2—C18—H18117.3
Li1—O1—Li3i87.34 (16)C17—C18—H18117.3
C11—O2—Li1110.00 (17)C17—C16—C15120.1 (3)
C11—O2—Li3126.27 (17)C17—C16—H16120.0
Li1—O2—Li3118.51 (17)C15—C16—H16120.0
C11—O2—Li2i119.77 (16)C16—C17—C18118.9 (3)
Li1—O2—Li2i85.07 (16)C16—C17—H17120.6
Li3—O2—Li2i87.11 (16)C18—C17—H17120.6
C20—O3—Li3109.02 (17)C13—C14—C15120.2 (3)
C20—O3—Li2134.12 (18)C13—C14—H14119.9
Li3—O3—Li2116.84 (16)C15—C14—H14119.9
C20—O3—Li1i101.32 (15)C25—C26—C27119.8 (3)
Li3—O3—Li1i85.41 (16)C25—C26—H26120.1
Li2—O3—Li1i83.89 (16)C27—C26—H26120.1
C9—N1—C1117.4 (2)C14—C13—C12121.2 (3)
C9—N1—Li2135.1 (2)C14—C13—H13119.4
C1—N1—Li2107.50 (17)C12—C13—H13119.4
N1—C1—C6122.0 (2)C22—C23—C24118.5 (2)
N1—C1—C2117.04 (18)C22—C23—H23120.7
C6—C1—C2120.92 (19)C24—C23—H23120.7
O1—C2—C3123.9 (2)C26—C25—C24120.6 (3)
O1—C2—C1118.15 (18)C26—C25—H25119.7
C3—C2—C1117.99 (19)C24—C25—H25119.7
C18—N2—C10117.5 (2)C23—C22—C21122.3 (3)
C18—N2—Li1134.8 (2)C23—C22—H22118.9
C10—N2—Li1107.67 (18)C21—C22—H22118.9
C27—N3—C19117.3 (2)O2—Li1—O1125.75 (19)
C27—N3—Li3136.5 (2)O2—Li1—N286.98 (18)
C19—N3—Li3104.55 (18)O1—Li1—N2136.6 (2)
O3—C20—C21123.5 (2)O2—Li1—O3i94.71 (16)
O3—C20—C19118.5 (2)O1—Li1—O3i91.25 (17)
C21—C20—C19118.0 (2)N2—Li1—O3i116.02 (18)
O3—C20—Li1i49.47 (12)O2—Li1—Li2i49.66 (12)
C21—C20—Li1i105.17 (18)O1—Li1—Li2i113.06 (18)
C19—C20—Li1i112.87 (16)N2—Li1—Li2i109.97 (18)
C2—C3—C4121.3 (2)O3i—Li1—Li2i45.18 (11)
C2—C3—H3119.4O2—Li1—C20i112.55 (17)
C4—C3—H3119.4O1—Li1—C20i97.94 (17)
C7—C6—C5124.5 (2)N2—Li1—C20i92.96 (14)
C7—C6—C1116.8 (2)O3i—Li1—C20i29.21 (8)
C5—C6—C1118.6 (2)Li2i—Li1—C20i67.95 (12)
N2—C10—C15121.3 (2)O2—Li1—Li3i115.05 (17)
N2—C10—C11116.91 (19)O1—Li1—Li3i47.20 (12)
C15—C10—C11121.8 (2)N2—Li1—Li3i148.65 (19)
O2—C11—C12124.3 (2)O3i—Li1—Li3i44.21 (12)
O2—C11—C10118.4 (2)Li2i—Li1—Li3i74.00 (14)
C12—C11—C10117.3 (2)C20i—Li1—Li3i58.83 (12)
N3—C19—C24122.1 (2)O3—Li2—O1127.8 (2)
N3—C19—C20117.72 (19)O3—Li2—N1122.42 (19)
C24—C19—C20120.2 (2)O1—Li2—N185.52 (16)
C7—C8—C9119.1 (2)O3—Li2—O2i96.07 (17)
C7—C8—H8120.5O1—Li2—O2i90.84 (15)
C9—C8—H8120.5N1—Li2—O2i133.27 (19)
C14—C15—C10118.3 (3)O3—Li2—Li1i50.93 (13)
C14—C15—C16124.7 (3)O1—Li2—Li1i114.13 (17)
C10—C15—C16116.9 (3)N1—Li2—Li1i159.4 (2)
C4—C5—C6119.8 (2)O2i—Li2—Li1i45.27 (12)
C4—C5—H5120.1O3—Li2—Li3i117.07 (18)
C6—C5—H5120.1O1—Li2—Li3i46.54 (11)
N1—C9—C8123.6 (2)N1—Li2—Li3i119.14 (17)
N1—C9—H9118.2O2i—Li2—Li3i44.52 (11)
C8—C9—H9118.2Li1i—Li2—Li3i74.89 (14)
C5—C4—C3121.2 (2)O3—Li3—O2119.69 (18)
C5—C4—H4119.4O3—Li3—O1i95.66 (17)
C3—C4—H4119.4O2—Li3—O1i92.92 (16)
C8—C7—C6121.0 (2)O3—Li3—N387.65 (16)
C8—C7—H7119.5O2—Li3—N3143.9 (2)
C6—C7—H7119.5O1i—Li3—N3108.41 (17)
C20—C21—C22122.3 (3)O3—Li3—Li1i50.38 (12)
C20—C21—H21118.8O2—Li3—Li1i110.08 (17)
C22—C21—H21118.8O1i—Li3—Li1i45.46 (12)
C11—C12—C13121.2 (3)N3—Li3—Li1i105.61 (17)
C11—C12—H12119.4O3—Li3—Li2i111.41 (17)
C13—C12—H12119.4O2—Li3—Li2i48.37 (12)
C25—C24—C19117.2 (3)O1i—Li3—Li2i44.78 (12)
C25—C24—C23124.2 (3)N3—Li3—Li2i146.44 (19)
C19—C24—C23118.6 (3)Li1i—Li3—Li2i71.10 (14)
C9—N1—C1—C61.9 (3)C11—O2—Li1—Li3i157.18 (17)
Li2—N1—C1—C6178.6 (2)Li3—O2—Li1—Li3i46.8 (3)
C9—N1—C1—C2175.9 (2)Li2i—O2—Li1—Li3i37.24 (19)
Li2—N1—C1—C23.6 (2)C2—O1—Li1—O2133.0 (2)
Li2—O1—C2—C3170.3 (2)Li2—O1—Li1—O24.9 (3)
Li1—O1—C2—C352.0 (3)Li3i—O1—Li1—O292.5 (2)
Li3i—O1—C2—C366.2 (3)C2—O1—Li1—N21.1 (4)
Li2—O1—C2—C110.9 (3)Li2—O1—Li1—N2136.8 (3)
Li1—O1—C2—C1126.8 (2)Li3i—O1—Li1—N2135.6 (3)
Li3i—O1—C2—C1115.0 (2)C2—O1—Li1—O3i130.32 (18)
N1—C1—C2—O14.8 (3)Li2—O1—Li1—O3i91.78 (17)
C6—C1—C2—O1173.01 (18)Li3i—O1—Li1—O3i4.17 (15)
N1—C1—C2—C3176.28 (19)C2—O1—Li1—Li2i171.12 (17)
C6—C1—C2—C35.9 (3)Li2—O1—Li1—Li2i51.0 (3)
Li3—O3—C20—C21170.2 (2)Li3i—O1—Li1—Li2i36.63 (19)
Li2—O3—C20—C2111.2 (4)C2—O1—Li1—C20i101.8 (2)
Li1i—O3—C20—C2181.2 (3)Li2—O1—Li1—C20i120.32 (16)
Li3—O3—C20—C197.7 (3)Li3i—O1—Li1—C20i32.72 (14)
Li2—O3—C20—C19170.8 (2)C2—O1—Li1—Li3i134.5 (2)
Li1i—O3—C20—C1996.7 (2)Li2—O1—Li1—Li3i87.61 (17)
Li3—O3—C20—Li1i89.01 (18)C18—N2—Li1—O2178.5 (2)
Li2—O3—C20—Li1i92.5 (3)C10—N2—Li1—O20.07 (19)
O1—C2—C3—C4175.1 (2)C18—N2—Li1—O138.8 (4)
C1—C2—C3—C43.7 (3)C10—N2—Li1—O1142.7 (3)
N1—C1—C6—C72.5 (3)C18—N2—Li1—O3i84.7 (3)
C2—C1—C6—C7175.2 (2)C10—N2—Li1—O3i93.8 (2)
N1—C1—C6—C5178.0 (2)C18—N2—Li1—Li2i133.6 (3)
C2—C1—C6—C54.3 (3)C10—N2—Li1—Li2i44.9 (2)
C18—N2—C10—C150.5 (3)C18—N2—Li1—C20i66.1 (3)
Li1—N2—C10—C15179.35 (19)C10—N2—Li1—C20i112.52 (16)
C18—N2—C10—C11179.1 (2)C18—N2—Li1—Li3i41.8 (5)
Li1—N2—C10—C110.2 (2)C10—N2—Li1—Li3i136.8 (4)
Li1—O2—C11—C12179.4 (2)C20—O3—Li2—O1168.1 (2)
Li3—O2—C11—C1225.6 (3)Li3—O3—Li2—O110.4 (3)
Li2i—O2—C11—C1284.7 (3)Li1i—O3—Li2—O192.1 (3)
Li1—O2—C11—C100.6 (3)C20—O3—Li2—N156.0 (4)
Li3—O2—C11—C10154.34 (19)Li3—O3—Li2—N1122.5 (2)
Li2i—O2—C11—C1095.3 (2)Li1i—O3—Li2—N1155.8 (2)
N2—C10—C11—O20.6 (3)C20—O3—Li2—O2i96.1 (2)
C15—C10—C11—O2179.00 (19)Li3—O3—Li2—O2i85.4 (2)
N2—C10—C11—C12179.4 (2)Li1i—O3—Li2—O2i3.72 (15)
C15—C10—C11—C121.0 (3)C20—O3—Li2—Li1i99.9 (2)
C27—N3—C19—C241.7 (3)Li3—O3—Li2—Li1i81.70 (19)
Li3—N3—C19—C24166.2 (2)C20—O3—Li2—Li3i137.5 (2)
C27—N3—C19—C20178.4 (2)Li3—O3—Li2—Li3i44.1 (3)
Li3—N3—C19—C2013.6 (3)Li1i—O3—Li2—Li3i37.6 (2)
O3—C20—C19—N34.9 (3)C2—O1—Li2—O3138.3 (2)
C21—C20—C19—N3177.1 (2)Li1—O1—Li2—O36.7 (3)
Li1i—C20—C19—N359.9 (2)Li3i—O1—Li2—O393.3 (3)
O3—C20—C19—C24174.94 (19)C2—O1—Li2—N110.02 (19)
C21—C20—C19—C243.1 (3)Li1—O1—Li2—N1134.98 (16)
Li1i—C20—C19—C24119.9 (2)Li3i—O1—Li2—N1138.35 (15)
N2—C10—C15—C14179.8 (2)C2—O1—Li2—O2i123.33 (16)
C11—C10—C15—C140.2 (3)Li1—O1—Li2—O2i91.68 (17)
N2—C10—C15—C160.4 (3)Li3i—O1—Li2—O2i5.00 (15)
C11—C10—C15—C16179.9 (2)C2—O1—Li2—Li1i163.45 (18)
C7—C6—C5—C4179.0 (3)Li1—O1—Li2—Li1i51.6 (3)
C1—C6—C5—C40.5 (4)Li3i—O1—Li2—Li1i35.1 (2)
C1—N1—C9—C80.0 (4)C2—O1—Li2—Li3i128.33 (18)
Li2—N1—C9—C8179.3 (2)Li1—O1—Li2—Li3i86.68 (18)
C7—C8—C9—N11.2 (4)C9—N1—Li2—O339.2 (4)
C6—C5—C4—C31.7 (4)C1—N1—Li2—O3140.1 (2)
C2—C3—C4—C50.0 (4)C9—N1—Li2—O1172.0 (2)
C9—C8—C7—C60.6 (4)C1—N1—Li2—O17.39 (18)
C5—C6—C7—C8179.3 (3)C9—N1—Li2—O2i101.1 (3)
C1—C6—C7—C81.2 (4)C1—N1—Li2—O2i79.5 (3)
O3—C20—C21—C22175.2 (2)C9—N1—Li2—Li1i25.2 (7)
C19—C20—C21—C222.8 (4)C1—N1—Li2—Li1i155.5 (5)
Li1i—C20—C21—C22124.1 (3)C9—N1—Li2—Li3i154.5 (2)
O2—C11—C12—C13179.2 (2)C1—N1—Li2—Li3i26.1 (3)
C10—C11—C12—C130.9 (4)C20—O3—Li3—O2167.2 (2)
N3—C19—C24—C250.5 (4)Li2—O3—Li3—O211.6 (3)
C20—C19—C24—C25179.3 (2)Li1i—O3—Li3—O292.3 (2)
N3—C19—C24—C23179.5 (2)C20—O3—Li3—O1i96.12 (17)
C20—C19—C24—C230.7 (4)Li2—O3—Li3—O1i85.1 (2)
C19—N3—C27—C262.0 (4)Li1i—O3—Li3—O1i4.28 (15)
Li3—N3—C27—C26160.9 (3)C20—O3—Li3—N312.15 (19)
C10—N2—C18—C170.2 (4)Li2—O3—Li3—N3166.67 (17)
Li1—N2—C18—C17178.7 (3)Li1i—O3—Li3—N3112.55 (15)
C14—C15—C16—C17178.6 (3)C20—O3—Li3—Li1i100.41 (17)
C10—C15—C16—C171.6 (4)Li2—O3—Li3—Li1i80.78 (19)
C15—C16—C17—C181.9 (5)C20—O3—Li3—Li2i139.46 (17)
N2—C18—C17—C161.0 (5)Li2—O3—Li3—Li2i41.7 (3)
C10—C15—C14—C130.8 (4)Li1i—O3—Li3—Li2i39.06 (18)
C16—C15—C14—C13179.0 (3)C11—O2—Li3—O3141.4 (2)
N3—C27—C26—C250.1 (5)Li1—O2—Li3—O310.4 (3)
C15—C14—C13—C121.0 (5)Li2i—O2—Li3—O393.2 (2)
C11—C12—C13—C140.1 (5)C11—O2—Li3—O1i120.39 (19)
C25—C24—C23—C22177.8 (3)Li1—O2—Li3—O1i87.8 (2)
C19—C24—C23—C222.1 (4)Li2i—O2—Li3—O1i5.03 (15)
C27—C26—C25—C242.5 (5)C11—O2—Li3—N36.9 (5)
C19—C24—C25—C262.7 (5)Li1—O2—Li3—N3144.9 (3)
C23—C24—C25—C26177.3 (3)Li2i—O2—Li3—N3132.3 (4)
C24—C23—C22—C212.6 (5)C11—O2—Li3—Li1i163.58 (18)
C20—C21—C22—C230.1 (5)Li1—O2—Li3—Li1i44.6 (3)
C11—O2—Li1—O1148.8 (2)Li2i—O2—Li3—Li1i38.16 (18)
Li3—O2—Li1—O17.2 (3)C11—O2—Li3—Li2i125.4 (2)
Li2i—O2—Li1—O191.3 (2)Li1—O2—Li3—Li2i82.80 (19)
C11—O2—Li1—N20.36 (19)C27—N3—Li3—O3178.5 (3)
Li3—O2—Li1—N2156.42 (16)C19—N3—Li3—O314.12 (19)
Li2i—O2—Li1—N2119.58 (16)C27—N3—Li3—O239.8 (5)
C11—O2—Li1—O3i116.23 (17)C19—N3—Li3—O2155.8 (3)
Li3—O2—Li1—O3i87.71 (19)C27—N3—Li3—O1i83.3 (3)
Li2i—O2—Li1—O3i3.70 (15)C19—N3—Li3—O1i81.1 (2)
C11—O2—Li1—Li2i119.94 (18)C27—N3—Li3—Li1i130.9 (3)
Li3—O2—Li1—Li2i84.00 (19)C19—N3—Li3—Li1i33.5 (2)
C11—O2—Li1—C20i92.3 (2)C27—N3—Li3—Li2i51.7 (5)
Li3—O2—Li1—C20i111.63 (19)C19—N3—Li3—Li2i112.7 (4)
Li2i—O2—Li1—C20i27.63 (17)
Symmetry code: (i) x, y+1, z+1.
 

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