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The molecular structure of a donor-functionalized ter­phenyl–lithium compound, {(μ-2,2′′-di­methoxy-m-ter­phenyl)(μ-Li)[μ-Li(tetra­hydro­furan)I]}2 or [Li4I2(C4H8O)2(C20H17O2)2], is reported, featuring a dimeric and centrosymmetric arrangement in its solid-state structure. The molecular structure is comprised of a distorted transoid four-step ladder formed by four Li, two I, and two ipso-C atoms of the ter­phenyl moieties. The two methoxy functions of each ter­phenyl moiety coordinate to different Li atoms. One mol­ecule of tetra­hydro­furan coordinates to each of the Li atoms, which occupy terminal positions of the ladder-type arrangement.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802012345/cm6012sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536802012345/cm6012Isup2.hkl
Contains datablock I

CCDC reference: 193714

Key indicators

  • Single-crystal X-ray study
  • T = 203 K
  • Mean [sigma](C-C) = 0.010 Å
  • Disorder in main residue
  • R factor = 0.068
  • wR factor = 0.120
  • Data-to-parameter ratio = 17.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Red Alert Alert Level A:
PLAT_305 Alert A Isolated Hydrogen Atom (Outside Bond Range ??) PLAT_305 Alert A Isolated Hydrogen Atom (Outside Bond Range ??) Yellow Alert Alert Level C:
RINTA_01 Alert C The value of Rint is greater than 0.10 Rint given 0.128
2 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
1 Alert Level C = Please check

Computing details top

Data collection: SMART (Bruker 2001); cell refinement: SMART; data reduction: SAINT (Bruker 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker 2001); software used to prepare material for publication: SHELXTL.

{(2,6-Di-o-anisol-phenyl)(µ-Li)[µ-Li(tetrahydrofuran)I]}2 top
Crystal data top
[Li4I2(C4H8O)2(C20H17O2)2]F(000) = 1008
Mr = 1004.44Dx = 1.433 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 10.1825 (14) ÅCell parameters from 21 reflections
b = 14.863 (2) Åθ = 1.5–26.4°
c = 15.396 (2) ŵ = 1.40 mm1
β = 92.009 (2)°T = 203 K
V = 2328.7 (5) Å3Plate, clear light colourless
Z = 20.10 × 0.10 × 0.02 mm
Data collection top
Bruker (Siemens) 1K CCD area-detector
diffractometer
4726 independent reflections
Radiation source: fine-focus sealed tube2429 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.128
φ and ω scansθmax = 26.4°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
h = 1212
Tmin = 0.866, Tmax = 0.972k = 018
14670 measured reflectionsl = 019
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)] = 0.068Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.120H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.039P)2]
where P = (Fo2 + 2Fc2)/3
4726 reflections(Δ/σ)max < 0.001
270 parametersΔρmax = 0.58 e Å3
2 restraintsΔρmin = 0.66 e Å3
Special details top

Experimental. Data collection is performed with three batch runs at φ = 0.00° (606 frames), at °f = 90.00 ° (435 frames), and at φ = 180° (230 frames) A fourth batch run is collected at φ = 0.00° (50 frames,57 reflections) to monitor crystal and diffractometer stability. Frame width = 0.30° in ω. Data was merged, corrected for decay (if any), and treated with multi-scan absorption corrections. All symmetry-equivalent reflections are merged for centrosymmetric data.

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. Hydrogen atoms were put in idealized positions that were reidealized with each refinement cycle and with positions and isotropic parameters based on the previous nonhydrogen atom position and isotropic, or equivalent isotropic, parameter.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
I10.86804 (5)0.60898 (4)1.00488 (3)0.04303 (18)
Li10.9667 (10)0.6812 (9)0.8510 (8)0.037 (3)
Li20.9993 (12)0.5054 (8)0.8813 (8)0.040 (3)
O11.1241 (4)0.7547 (3)0.8834 (3)0.0315 (12)
O20.8758 (5)0.4387 (3)0.8023 (3)0.0401 (13)
O30.8216 (4)0.7540 (4)0.8099 (3)0.0490 (15)
C11.0862 (7)0.8344 (5)0.9301 (5)0.045 (2)
H1A1.16390.86920.94620.068*
H1B1.04160.81700.98220.068*
H1C1.02760.87050.89340.068*
C21.2394 (6)0.7124 (5)0.9116 (5)0.0292 (18)
C31.3131 (7)0.7440 (5)0.9836 (5)0.039 (2)
H3A1.28510.79471.01440.046*
C41.4287 (7)0.6994 (6)1.0093 (5)0.047 (2)
H4A1.47940.72071.05710.056*
C51.4686 (7)0.6252 (6)0.9654 (5)0.043 (2)
H5A1.54480.59400.98400.052*
C61.3959 (6)0.5965 (5)0.8934 (5)0.040 (2)
H6A1.42520.54600.86280.047*
C71.2813 (6)0.6389 (4)0.8642 (4)0.0239 (17)
C81.2132 (6)0.6066 (5)0.7820 (4)0.0231 (14)
C91.2913 (6)0.5934 (5)0.7104 (4)0.0299 (18)
H9A1.38150.60680.71530.036*
C101.2386 (6)0.5611 (5)0.6325 (4)0.0316 (18)
H10A1.29210.55220.58470.038*
C111.1055 (6)0.5422 (4)0.6264 (4)0.0274 (17)
H11A1.06850.51950.57410.033*
C121.0257 (6)0.5563 (4)0.6966 (4)0.0247 (16)
C131.0761 (6)0.5868 (4)0.7793 (4)0.0221 (16)
C140.8820 (7)0.5391 (5)0.6822 (5)0.0305 (17)
C150.8157 (7)0.5799 (5)0.6116 (5)0.037 (2)
H15A0.86140.62050.57680.045*
C160.6855 (8)0.5625 (6)0.5914 (6)0.052 (2)
H16A0.64410.59000.54270.062*
C170.6164 (7)0.5056 (6)0.6417 (6)0.055 (3)
H17A0.52740.49380.62780.066*
C180.6772 (7)0.4646 (6)0.7140 (5)0.045 (2)
H18A0.62950.42560.74920.054*
C190.8088 (7)0.4818 (5)0.7334 (5)0.0352 (19)
C200.8124 (9)0.3614 (6)0.8396 (6)0.084 (4)
H20A0.75400.33390.79610.126*
H20B0.76220.38040.88870.126*
H20C0.87860.31820.85890.126*
C210.6861 (10)0.7177 (8)0.8186 (9)0.048 (3)*0.62
H21A0.67680.65870.79070.058*0.62
H21B0.66420.71220.87980.058*0.62
C220.6043 (9)0.7833 (9)0.7750 (8)0.122 (5)0.62
H22A0.53240.75310.74280.146*0.62
H22B0.56610.82340.81790.146*0.62
C21'0.6977 (14)0.7726 (16)0.8519 (11)0.048 (3)*0.38
H21C0.70320.82780.88670.058*0.38
H21D0.67200.72240.88900.058*0.38
C22'0.6043 (9)0.7833 (9)0.7750 (8)0.122 (5)0.38
H22C0.57960.72480.75000.146*0.38
H22D0.52480.81570.79080.146*0.38
C230.6790 (9)0.8338 (8)0.7174 (7)0.098 (4)
H23A0.66460.89830.72640.117*
H23B0.65350.81900.65710.117*
C240.8190 (7)0.8108 (6)0.7356 (5)0.050 (2)
H24A0.85540.77940.68590.060*
H24B0.87070.86530.74720.060*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
I10.0420 (3)0.0572 (3)0.0302 (3)0.0167 (3)0.00664 (19)0.0076 (3)
Li10.023 (6)0.046 (9)0.043 (8)0.003 (6)0.005 (5)0.010 (7)
Li20.059 (9)0.024 (8)0.035 (8)0.004 (6)0.006 (6)0.001 (6)
O10.033 (3)0.028 (3)0.033 (3)0.002 (2)0.004 (2)0.004 (2)
O20.046 (3)0.044 (3)0.030 (3)0.019 (3)0.001 (2)0.009 (3)
O30.032 (3)0.064 (4)0.052 (4)0.008 (3)0.008 (3)0.029 (3)
C10.050 (5)0.039 (5)0.047 (5)0.009 (4)0.001 (4)0.010 (4)
C20.026 (4)0.028 (5)0.034 (5)0.004 (3)0.001 (3)0.005 (4)
C30.036 (4)0.041 (5)0.039 (5)0.005 (4)0.002 (4)0.003 (4)
C40.035 (5)0.071 (7)0.032 (5)0.025 (5)0.012 (4)0.006 (5)
C50.030 (4)0.053 (6)0.047 (5)0.009 (4)0.008 (4)0.014 (5)
C60.022 (4)0.054 (6)0.042 (5)0.002 (4)0.004 (3)0.000 (4)
C70.014 (3)0.031 (5)0.027 (4)0.003 (3)0.005 (3)0.005 (3)
C80.026 (3)0.020 (4)0.024 (4)0.001 (4)0.001 (3)0.002 (4)
C90.021 (3)0.033 (5)0.036 (4)0.002 (3)0.001 (3)0.002 (4)
C100.031 (4)0.036 (5)0.028 (4)0.008 (4)0.008 (3)0.008 (4)
C110.030 (4)0.026 (4)0.026 (4)0.002 (3)0.001 (3)0.002 (3)
C120.029 (4)0.022 (4)0.024 (4)0.001 (3)0.003 (3)0.005 (3)
C130.022 (3)0.020 (4)0.025 (4)0.005 (3)0.003 (3)0.003 (3)
C140.028 (4)0.031 (5)0.033 (5)0.001 (4)0.001 (3)0.004 (4)
C150.026 (4)0.048 (6)0.037 (5)0.009 (4)0.001 (3)0.001 (4)
C160.047 (6)0.059 (6)0.049 (6)0.013 (5)0.016 (4)0.013 (5)
C170.020 (4)0.083 (8)0.062 (7)0.004 (5)0.010 (4)0.027 (6)
C180.030 (5)0.059 (6)0.046 (6)0.011 (4)0.012 (4)0.010 (5)
C190.031 (4)0.039 (5)0.035 (5)0.005 (4)0.006 (4)0.014 (4)
C200.080 (7)0.098 (9)0.073 (7)0.054 (6)0.018 (5)0.047 (6)
C220.041 (6)0.180 (14)0.146 (12)0.012 (8)0.008 (7)0.086 (11)
C22'0.041 (6)0.180 (14)0.146 (12)0.012 (8)0.008 (7)0.086 (11)
C230.060 (7)0.122 (10)0.109 (10)0.002 (7)0.025 (6)0.069 (8)
C240.052 (5)0.060 (6)0.037 (5)0.008 (5)0.004 (4)0.016 (5)
Geometric parameters (Å, º) top
I1—Li2i2.761 (12)C9—H9A0.9400
I1—Li22.820 (13)C10—C111.385 (8)
I1—Li12.818 (13)C10—H10A0.9400
Li1—O31.921 (13)C11—C121.390 (9)
Li1—O11.989 (12)C11—H11A0.9400
Li1—C132.124 (13)C12—C131.431 (8)
Li1—Li22.672 (18)C12—C141.493 (9)
Li2—O21.984 (13)C14—C151.398 (9)
Li2—C132.151 (14)C14—C191.395 (10)
Li2—I1i2.761 (12)C15—C161.376 (9)
O1—C21.387 (7)C15—H15A0.9400
O1—C11.446 (8)C16—C171.360 (11)
O2—C191.397 (8)C16—H16A0.9400
O2—C201.446 (8)C17—C181.395 (11)
O3—C241.420 (8)C17—H17A0.9400
O3—C21'1.465 (15)C18—C191.386 (9)
O3—C211.493 (11)C18—H18A0.9400
C1—H1A0.9700C20—H20A0.9700
C1—H1B0.9700C20—H20B0.9700
C1—H1C0.9700C20—H20C0.9700
C2—C71.388 (9)C21—C221.433 (13)
C2—C31.398 (9)C21—H21A0.9800
C3—C41.396 (9)C21—H21B0.9800
C3—H3A0.9400C22—C231.405 (13)
C4—C51.362 (10)C22—H22A0.9800
C4—H4A0.9400C22—H22B0.9800
C5—C61.379 (9)C21'—H21C0.9800
C5—H5A0.9400C21'—H21D0.9800
C6—C71.387 (8)C23—C241.484 (10)
C6—H6A0.9400C23—H23A0.9800
C7—C81.501 (8)C23—H23B0.9800
C8—C91.395 (8)C24—H24A0.9800
C8—C131.426 (8)C24—H24B0.9800
C9—C101.383 (9)
Li2i—I1—Li281.9 (4)C11—C10—H10A120.7
Li2i—I1—Li1126.0 (4)C9—C10—H10A120.7
Li2—I1—Li156.6 (4)C10—C11—C12121.0 (6)
O3—Li1—O1112.2 (7)C10—C11—H11A119.5
O3—Li1—C13127.7 (7)C12—C11—H11A119.5
O1—Li1—C1393.5 (5)C11—C12—C13122.6 (6)
O3—Li1—Li2134.3 (6)C11—C12—C14117.1 (6)
O1—Li1—Li2113.5 (6)C13—C12—C14120.3 (6)
C13—Li1—Li251.7 (4)C8—C13—C12114.3 (6)
O3—Li1—I1101.5 (5)C8—C13—Li1112.3 (5)
O1—Li1—I1107.8 (5)C12—C13—Li1119.6 (5)
C13—Li1—I1113.2 (5)C8—C13—Li2118.4 (5)
Li2—Li1—I161.8 (4)C12—C13—Li2110.1 (5)
O2—Li2—C1394.1 (5)Li1—C13—Li277.4 (5)
O2—Li2—Li1108.0 (5)C15—C14—C19116.8 (6)
C13—Li2—Li150.9 (4)C15—C14—C12119.0 (6)
O2—Li2—I1i111.5 (5)C19—C14—C12124.1 (6)
C13—Li2—I1i128.9 (6)C16—C15—C14122.0 (7)
Li1—Li2—I1i140.2 (5)C16—C15—H15A119.0
O2—Li2—I1112.4 (5)C14—C15—H15A119.0
C13—Li2—I1112.2 (5)C17—C16—C15120.2 (8)
Li1—Li2—I161.7 (4)C17—C16—H16A119.9
I1i—Li2—I198.1 (4)C15—C16—H16A119.9
C2—O1—C1117.0 (5)C16—C17—C18120.2 (7)
C2—O1—Li1119.7 (5)C16—C17—H17A119.9
C1—O1—Li1110.3 (5)C18—C17—H17A119.9
C19—O2—C20116.9 (6)C19—C18—C17119.3 (8)
C19—O2—Li2121.3 (5)C19—C18—H18A120.3
C20—O2—Li2115.8 (6)C17—C18—H18A120.3
C24—O3—C21'104.6 (9)C18—C19—O2121.4 (7)
C24—O3—C21107.2 (6)C18—C19—C14121.6 (7)
C24—O3—Li1126.4 (6)O2—C19—C14116.9 (6)
C21'—O3—Li1128.7 (9)O2—C20—H20A109.5
C21—O3—Li1118.0 (6)O2—C20—H20B109.5
O1—C1—H1A109.5H20A—C20—H20B109.5
O1—C1—H1B109.5O2—C20—H20C109.5
H1A—C1—H1B109.5H20A—C20—H20C109.5
O1—C1—H1C109.5H20B—C20—H20C109.5
H1A—C1—H1C109.5C22—C21—O3103.6 (8)
H1B—C1—H1C109.5C22—C21—H21A111.0
C7—C2—O1117.6 (6)O3—C21—H21A111.0
C7—C2—C3121.0 (7)C22—C21—H21B111.0
O1—C2—C3121.4 (6)O3—C21—H21B111.0
C4—C3—C2119.3 (7)H21A—C21—H21B109.0
C4—C3—H3A120.4C23—C22—C21109.9 (9)
C2—C3—H3A120.4C23—C22—H22A109.7
C5—C4—C3120.5 (7)C21—C22—H22A109.7
C5—C4—H4A119.7C23—C22—H22B109.7
C3—C4—H4A119.7C21—C22—H22B109.7
C4—C5—C6119.2 (7)H22A—C22—H22B108.2
C4—C5—H5A120.4O3—C21'—H21C111.4
C6—C5—H5A120.4O3—C21'—H21D111.4
C5—C6—C7122.8 (7)H21C—C21'—H21D109.3
C5—C6—H6A118.6C22—C23—C24107.1 (8)
C7—C6—H6A118.6C22—C23—H23A110.3
C2—C7—C6117.3 (6)C24—C23—H23A110.3
C2—C7—C8123.6 (6)C22—C23—H23B110.3
C6—C7—C8119.1 (6)C24—C23—H23B110.3
C9—C8—C13122.2 (6)H23A—C23—H23B108.5
C9—C8—C7116.9 (5)O3—C24—C23106.3 (6)
C13—C8—C7120.9 (5)O3—C24—H24A110.5
C10—C9—C8121.3 (6)C23—C24—H24A110.5
C10—C9—H9A119.4O3—C24—H24B110.5
C8—C9—H9A119.4C23—C24—H24B110.5
C11—C10—C9118.6 (6)H24A—C24—H24B108.7
Li2i—I1—Li1—O3179.0 (4)C6—C7—C8—C947.8 (9)
Li2—I1—Li1—O3134.4 (6)C2—C7—C8—C1353.5 (9)
Li2i—I1—Li1—O161.0 (7)C6—C7—C8—C13129.6 (7)
Li2—I1—Li1—O1107.6 (6)C13—C8—C9—C100.7 (11)
Li2i—I1—Li1—C1340.9 (7)C7—C8—C9—C10178.0 (6)
Li2—I1—Li1—C135.7 (4)C8—C9—C10—C110.3 (10)
Li2i—I1—Li1—Li246.6 (6)C9—C10—C11—C120.8 (10)
O3—Li1—Li2—O228.2 (11)C10—C11—C12—C132.9 (10)
O1—Li1—Li2—O2155.4 (6)C10—C11—C12—C14176.4 (6)
C13—Li1—Li2—O280.4 (6)C9—C8—C13—C122.5 (9)
I1—Li1—Li2—O2106.3 (6)C7—C8—C13—C12179.7 (6)
O3—Li1—Li2—C13108.6 (10)C9—C8—C13—Li1142.9 (7)
O1—Li1—Li2—C1375.0 (6)C7—C8—C13—Li139.9 (8)
I1—Li1—Li2—C13173.3 (5)C9—C8—C13—Li2129.8 (7)
O3—Li1—Li2—I1i144.6 (8)C7—C8—C13—Li247.4 (9)
O1—Li1—Li2—I1i31.7 (12)C11—C12—C13—C83.6 (9)
C13—Li1—Li2—I1i106.7 (9)C14—C12—C13—C8175.7 (6)
I1—Li1—Li2—I1i66.6 (8)C11—C12—C13—Li1140.9 (7)
O3—Li1—Li2—I178.0 (8)C14—C12—C13—Li138.4 (9)
O1—Li1—Li2—I198.4 (6)C11—C12—C13—Li2132.5 (7)
C13—Li1—Li2—I1173.3 (5)C14—C12—C13—Li248.2 (8)
Li2i—I1—Li2—O2117.4 (7)O3—Li1—C13—C8123.3 (7)
Li1—I1—Li2—O299.1 (6)O1—Li1—C13—C81.7 (7)
Li2i—I1—Li2—C13138.0 (7)Li2—Li1—C13—C8115.8 (6)
Li1—I1—Li2—C135.6 (4)I1—Li1—C13—C8109.4 (5)
Li2i—I1—Li2—Li1143.6 (5)O3—Li1—C13—C1214.8 (11)
Li2i—I1—Li2—I1i0.0O1—Li1—C13—C12136.4 (6)
Li1—I1—Li2—I1i143.6 (5)Li2—Li1—C13—C12106.1 (6)
O3—Li1—O1—C2177.7 (6)I1—Li1—C13—C12112.5 (6)
C13—Li1—O1—C244.4 (7)O3—Li1—C13—Li2120.9 (8)
Li2—Li1—O1—C25.1 (9)O1—Li1—C13—Li2117.5 (6)
I1—Li1—O1—C271.3 (6)I1—Li1—C13—Li26.4 (5)
O3—Li1—O1—C142.0 (8)O2—Li2—C13—C8141.4 (6)
C13—Li1—O1—C1175.4 (5)Li1—Li2—C13—C8108.7 (6)
Li2—Li1—O1—C1135.1 (6)I1i—Li2—C13—C819.3 (9)
I1—Li1—O1—C168.9 (6)I1—Li2—C13—C8102.4 (6)
C13—Li2—O2—C1938.3 (8)O2—Li2—C13—C127.3 (7)
Li1—Li2—O2—C1911.8 (9)Li1—Li2—C13—C12117.2 (6)
I1i—Li2—O2—C19173.1 (5)I1i—Li2—C13—C12114.8 (7)
I1—Li2—O2—C1977.9 (7)I1—Li2—C13—C12123.5 (5)
C13—Li2—O2—C20169.8 (6)O2—Li2—C13—Li1109.9 (5)
Li1—Li2—O2—C20140.1 (7)I1i—Li2—C13—Li1128.0 (7)
I1i—Li2—O2—C2035.0 (8)I1—Li2—C13—Li16.3 (5)
I1—Li2—O2—C2074.0 (7)C11—C12—C14—C1552.0 (9)
O1—Li1—O3—C2461.5 (9)C13—C12—C14—C15127.4 (7)
C13—Li1—O3—C2451.9 (11)C11—C12—C14—C19125.8 (8)
Li2—Li1—O3—C24122.0 (9)C13—C12—C14—C1954.9 (10)
I1—Li1—O3—C24176.4 (6)C19—C14—C15—C162.1 (11)
O1—Li1—O3—C21'110.2 (13)C12—C14—C15—C16175.8 (7)
C13—Li1—O3—C21'136.4 (13)C14—C15—C16—C171.4 (12)
Li2—Li1—O3—C21'66.2 (15)C15—C16—C17—C180.0 (13)
I1—Li1—O3—C21'4.7 (13)C16—C17—C18—C190.6 (13)
O1—Li1—O3—C21154.6 (8)C17—C18—C19—O2176.5 (7)
C13—Li1—O3—C2192.0 (10)C17—C18—C19—C140.1 (12)
Li2—Li1—O3—C2121.8 (12)C20—O2—C19—C1813.7 (10)
I1—Li1—O3—C2139.8 (9)Li2—O2—C19—C18137.9 (7)
C1—O1—C2—C7176.2 (6)C20—O2—C19—C14162.8 (7)
Li1—O1—C2—C746.1 (8)Li2—O2—C19—C1445.6 (9)
C1—O1—C2—C32.0 (9)C15—C14—C19—C181.4 (11)
Li1—O1—C2—C3135.7 (7)C12—C14—C19—C18176.3 (7)
C7—C2—C3—C41.6 (10)C15—C14—C19—O2178.0 (6)
O1—C2—C3—C4179.7 (6)C12—C14—C19—O20.2 (10)
C2—C3—C4—C50.9 (11)C24—O3—C21—C2224.5 (12)
C3—C4—C5—C62.3 (11)C21'—O3—C21—C2267.4 (12)
C4—C5—C6—C71.4 (11)Li1—O3—C21—C22174.7 (9)
O1—C2—C7—C6179.3 (6)O3—C21—C22—C2321.1 (15)
C3—C2—C7—C62.5 (10)C21—C22—C23—C2410.1 (16)
O1—C2—C7—C83.7 (9)C21'—O3—C24—C2320.9 (12)
C3—C2—C7—C8174.5 (6)C21—O3—C24—C2318.8 (10)
C5—C6—C7—C21.0 (10)Li1—O3—C24—C23165.8 (8)
C5—C6—C7—C8176.1 (7)C22—C23—C24—O35.9 (13)
C2—C7—C8—C9129.2 (7)
Symmetry code: (i) x+2, y+1, z+2.
 

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