Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802012345/cm6012sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802012345/cm6012Isup2.hkl |
CCDC reference: 193714
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.
[Li4I2(C4H8O)2(C20H17O2)2] | F(000) = 1008 |
Mr = 1004.44 | Dx = 1.433 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 10.1825 (14) Å | Cell parameters from 21 reflections |
b = 14.863 (2) Å | θ = 1.5–26.4° |
c = 15.396 (2) Å | µ = 1.40 mm−1 |
β = 92.009 (2)° | T = 203 K |
V = 2328.7 (5) Å3 | Plate, clear light colourless |
Z = 2 | 0.10 × 0.10 × 0.02 mm |
Bruker (Siemens) 1K CCD area-detector diffractometer | 4726 independent reflections |
Radiation source: fine-focus sealed tube | 2429 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.128 |
φ and ω scans | θmax = 26.4°, θmin = 1.9° |
Absorption correction: multi-scan (SADABS; Bruker, 2001) | h = −12→12 |
Tmin = 0.866, Tmax = 0.972 | k = 0→18 |
14670 measured reflections | l = 0→19 |
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)] = 0.068 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.120 | H-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 parameters | Δρmax = 0.58 e Å−3 |
2 restraints | Δρmin = −0.66 e Å−3 |
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. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
I1 | 0.86804 (5) | 0.60898 (4) | 1.00488 (3) | 0.04303 (18) | |
Li1 | 0.9667 (10) | 0.6812 (9) | 0.8510 (8) | 0.037 (3) | |
Li2 | 0.9993 (12) | 0.5054 (8) | 0.8813 (8) | 0.040 (3) | |
O1 | 1.1241 (4) | 0.7547 (3) | 0.8834 (3) | 0.0315 (12) | |
O2 | 0.8758 (5) | 0.4387 (3) | 0.8023 (3) | 0.0401 (13) | |
O3 | 0.8216 (4) | 0.7540 (4) | 0.8099 (3) | 0.0490 (15) | |
C1 | 1.0862 (7) | 0.8344 (5) | 0.9301 (5) | 0.045 (2) | |
H1A | 1.1639 | 0.8692 | 0.9462 | 0.068* | |
H1B | 1.0416 | 0.8170 | 0.9822 | 0.068* | |
H1C | 1.0276 | 0.8705 | 0.8934 | 0.068* | |
C2 | 1.2394 (6) | 0.7124 (5) | 0.9116 (5) | 0.0292 (18) | |
C3 | 1.3131 (7) | 0.7440 (5) | 0.9836 (5) | 0.039 (2) | |
H3A | 1.2851 | 0.7947 | 1.0144 | 0.046* | |
C4 | 1.4287 (7) | 0.6994 (6) | 1.0093 (5) | 0.047 (2) | |
H4A | 1.4794 | 0.7207 | 1.0571 | 0.056* | |
C5 | 1.4686 (7) | 0.6252 (6) | 0.9654 (5) | 0.043 (2) | |
H5A | 1.5448 | 0.5940 | 0.9840 | 0.052* | |
C6 | 1.3959 (6) | 0.5965 (5) | 0.8934 (5) | 0.040 (2) | |
H6A | 1.4252 | 0.5460 | 0.8628 | 0.047* | |
C7 | 1.2813 (6) | 0.6389 (4) | 0.8642 (4) | 0.0239 (17) | |
C8 | 1.2132 (6) | 0.6066 (5) | 0.7820 (4) | 0.0231 (14) | |
C9 | 1.2913 (6) | 0.5934 (5) | 0.7104 (4) | 0.0299 (18) | |
H9A | 1.3815 | 0.6068 | 0.7153 | 0.036* | |
C10 | 1.2386 (6) | 0.5611 (5) | 0.6325 (4) | 0.0316 (18) | |
H10A | 1.2921 | 0.5522 | 0.5847 | 0.038* | |
C11 | 1.1055 (6) | 0.5422 (4) | 0.6264 (4) | 0.0274 (17) | |
H11A | 1.0685 | 0.5195 | 0.5741 | 0.033* | |
C12 | 1.0257 (6) | 0.5563 (4) | 0.6966 (4) | 0.0247 (16) | |
C13 | 1.0761 (6) | 0.5868 (4) | 0.7793 (4) | 0.0221 (16) | |
C14 | 0.8820 (7) | 0.5391 (5) | 0.6822 (5) | 0.0305 (17) | |
C15 | 0.8157 (7) | 0.5799 (5) | 0.6116 (5) | 0.037 (2) | |
H15A | 0.8614 | 0.6205 | 0.5768 | 0.045* | |
C16 | 0.6855 (8) | 0.5625 (6) | 0.5914 (6) | 0.052 (2) | |
H16A | 0.6441 | 0.5900 | 0.5427 | 0.062* | |
C17 | 0.6164 (7) | 0.5056 (6) | 0.6417 (6) | 0.055 (3) | |
H17A | 0.5274 | 0.4938 | 0.6278 | 0.066* | |
C18 | 0.6772 (7) | 0.4646 (6) | 0.7140 (5) | 0.045 (2) | |
H18A | 0.6295 | 0.4256 | 0.7492 | 0.054* | |
C19 | 0.8088 (7) | 0.4818 (5) | 0.7334 (5) | 0.0352 (19) | |
C20 | 0.8124 (9) | 0.3614 (6) | 0.8396 (6) | 0.084 (4) | |
H20A | 0.7540 | 0.3339 | 0.7961 | 0.126* | |
H20B | 0.7622 | 0.3804 | 0.8887 | 0.126* | |
H20C | 0.8786 | 0.3182 | 0.8589 | 0.126* | |
C21 | 0.6861 (10) | 0.7177 (8) | 0.8186 (9) | 0.048 (3)* | 0.62 |
H21A | 0.6768 | 0.6587 | 0.7907 | 0.058* | 0.62 |
H21B | 0.6642 | 0.7122 | 0.8798 | 0.058* | 0.62 |
C22 | 0.6043 (9) | 0.7833 (9) | 0.7750 (8) | 0.122 (5) | 0.62 |
H22A | 0.5324 | 0.7531 | 0.7428 | 0.146* | 0.62 |
H22B | 0.5661 | 0.8234 | 0.8179 | 0.146* | 0.62 |
C21' | 0.6977 (14) | 0.7726 (16) | 0.8519 (11) | 0.048 (3)* | 0.38 |
H21C | 0.7032 | 0.8278 | 0.8867 | 0.058* | 0.38 |
H21D | 0.6720 | 0.7224 | 0.8890 | 0.058* | 0.38 |
C22' | 0.6043 (9) | 0.7833 (9) | 0.7750 (8) | 0.122 (5) | 0.38 |
H22C | 0.5796 | 0.7248 | 0.7500 | 0.146* | 0.38 |
H22D | 0.5248 | 0.8157 | 0.7908 | 0.146* | 0.38 |
C23 | 0.6790 (9) | 0.8338 (8) | 0.7174 (7) | 0.098 (4) | |
H23A | 0.6646 | 0.8983 | 0.7264 | 0.117* | |
H23B | 0.6535 | 0.8190 | 0.6571 | 0.117* | |
C24 | 0.8190 (7) | 0.8108 (6) | 0.7356 (5) | 0.050 (2) | |
H24A | 0.8554 | 0.7794 | 0.6859 | 0.060* | |
H24B | 0.8707 | 0.8653 | 0.7472 | 0.060* |
U11 | U22 | U33 | U12 | U13 | U23 | |
I1 | 0.0420 (3) | 0.0572 (3) | 0.0302 (3) | 0.0167 (3) | 0.00664 (19) | 0.0076 (3) |
Li1 | 0.023 (6) | 0.046 (9) | 0.043 (8) | −0.003 (6) | 0.005 (5) | −0.010 (7) |
Li2 | 0.059 (9) | 0.024 (8) | 0.035 (8) | −0.004 (6) | −0.006 (6) | 0.001 (6) |
O1 | 0.033 (3) | 0.028 (3) | 0.033 (3) | 0.002 (2) | −0.004 (2) | −0.004 (2) |
O2 | 0.046 (3) | 0.044 (3) | 0.030 (3) | −0.019 (3) | 0.001 (2) | 0.009 (3) |
O3 | 0.032 (3) | 0.064 (4) | 0.052 (4) | 0.008 (3) | 0.008 (3) | 0.029 (3) |
C1 | 0.050 (5) | 0.039 (5) | 0.047 (5) | 0.009 (4) | 0.001 (4) | −0.010 (4) |
C2 | 0.026 (4) | 0.028 (5) | 0.034 (5) | −0.004 (3) | −0.001 (3) | 0.005 (4) |
C3 | 0.036 (4) | 0.041 (5) | 0.039 (5) | −0.005 (4) | 0.002 (4) | 0.003 (4) |
C4 | 0.035 (5) | 0.071 (7) | 0.032 (5) | −0.025 (5) | −0.012 (4) | 0.006 (5) |
C5 | 0.030 (4) | 0.053 (6) | 0.047 (5) | −0.009 (4) | −0.008 (4) | 0.014 (5) |
C6 | 0.022 (4) | 0.054 (6) | 0.042 (5) | 0.002 (4) | 0.004 (3) | 0.000 (4) |
C7 | 0.014 (3) | 0.031 (5) | 0.027 (4) | −0.003 (3) | 0.005 (3) | 0.005 (3) |
C8 | 0.026 (3) | 0.020 (4) | 0.024 (4) | 0.001 (4) | 0.001 (3) | 0.002 (4) |
C9 | 0.021 (3) | 0.033 (5) | 0.036 (4) | −0.002 (3) | −0.001 (3) | 0.002 (4) |
C10 | 0.031 (4) | 0.036 (5) | 0.028 (4) | 0.008 (4) | 0.008 (3) | 0.008 (4) |
C11 | 0.030 (4) | 0.026 (4) | 0.026 (4) | −0.002 (3) | −0.001 (3) | −0.002 (3) |
C12 | 0.029 (4) | 0.022 (4) | 0.024 (4) | −0.001 (3) | 0.003 (3) | 0.005 (3) |
C13 | 0.022 (3) | 0.020 (4) | 0.025 (4) | 0.005 (3) | 0.003 (3) | 0.003 (3) |
C14 | 0.028 (4) | 0.031 (5) | 0.033 (5) | −0.001 (4) | 0.001 (3) | −0.004 (4) |
C15 | 0.026 (4) | 0.048 (6) | 0.037 (5) | 0.009 (4) | −0.001 (3) | 0.001 (4) |
C16 | 0.047 (6) | 0.059 (6) | 0.049 (6) | 0.013 (5) | −0.016 (4) | −0.013 (5) |
C17 | 0.020 (4) | 0.083 (8) | 0.062 (7) | 0.004 (5) | −0.010 (4) | −0.027 (6) |
C18 | 0.030 (5) | 0.059 (6) | 0.046 (6) | −0.011 (4) | 0.012 (4) | −0.010 (5) |
C19 | 0.031 (4) | 0.039 (5) | 0.035 (5) | −0.005 (4) | −0.006 (4) | −0.014 (4) |
C20 | 0.080 (7) | 0.098 (9) | 0.073 (7) | −0.054 (6) | −0.018 (5) | 0.047 (6) |
C22 | 0.041 (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) |
C23 | 0.060 (7) | 0.122 (10) | 0.109 (10) | −0.002 (7) | −0.025 (6) | 0.069 (8) |
C24 | 0.052 (5) | 0.060 (6) | 0.037 (5) | −0.008 (5) | 0.004 (4) | 0.016 (5) |
I1—Li2i | 2.761 (12) | C9—H9A | 0.9400 |
I1—Li2 | 2.820 (13) | C10—C11 | 1.385 (8) |
I1—Li1 | 2.818 (13) | C10—H10A | 0.9400 |
Li1—O3 | 1.921 (13) | C11—C12 | 1.390 (9) |
Li1—O1 | 1.989 (12) | C11—H11A | 0.9400 |
Li1—C13 | 2.124 (13) | C12—C13 | 1.431 (8) |
Li1—Li2 | 2.672 (18) | C12—C14 | 1.493 (9) |
Li2—O2 | 1.984 (13) | C14—C15 | 1.398 (9) |
Li2—C13 | 2.151 (14) | C14—C19 | 1.395 (10) |
Li2—I1i | 2.761 (12) | C15—C16 | 1.376 (9) |
O1—C2 | 1.387 (7) | C15—H15A | 0.9400 |
O1—C1 | 1.446 (8) | C16—C17 | 1.360 (11) |
O2—C19 | 1.397 (8) | C16—H16A | 0.9400 |
O2—C20 | 1.446 (8) | C17—C18 | 1.395 (11) |
O3—C24 | 1.420 (8) | C17—H17A | 0.9400 |
O3—C21' | 1.465 (15) | C18—C19 | 1.386 (9) |
O3—C21 | 1.493 (11) | C18—H18A | 0.9400 |
C1—H1A | 0.9700 | C20—H20A | 0.9700 |
C1—H1B | 0.9700 | C20—H20B | 0.9700 |
C1—H1C | 0.9700 | C20—H20C | 0.9700 |
C2—C7 | 1.388 (9) | C21—C22 | 1.433 (13) |
C2—C3 | 1.398 (9) | C21—H21A | 0.9800 |
C3—C4 | 1.396 (9) | C21—H21B | 0.9800 |
C3—H3A | 0.9400 | C22—C23 | 1.405 (13) |
C4—C5 | 1.362 (10) | C22—H22A | 0.9800 |
C4—H4A | 0.9400 | C22—H22B | 0.9800 |
C5—C6 | 1.379 (9) | C21'—H21C | 0.9800 |
C5—H5A | 0.9400 | C21'—H21D | 0.9800 |
C6—C7 | 1.387 (8) | C23—C24 | 1.484 (10) |
C6—H6A | 0.9400 | C23—H23A | 0.9800 |
C7—C8 | 1.501 (8) | C23—H23B | 0.9800 |
C8—C9 | 1.395 (8) | C24—H24A | 0.9800 |
C8—C13 | 1.426 (8) | C24—H24B | 0.9800 |
C9—C10 | 1.383 (9) | ||
Li2i—I1—Li2 | 81.9 (4) | C11—C10—H10A | 120.7 |
Li2i—I1—Li1 | 126.0 (4) | C9—C10—H10A | 120.7 |
Li2—I1—Li1 | 56.6 (4) | C10—C11—C12 | 121.0 (6) |
O3—Li1—O1 | 112.2 (7) | C10—C11—H11A | 119.5 |
O3—Li1—C13 | 127.7 (7) | C12—C11—H11A | 119.5 |
O1—Li1—C13 | 93.5 (5) | C11—C12—C13 | 122.6 (6) |
O3—Li1—Li2 | 134.3 (6) | C11—C12—C14 | 117.1 (6) |
O1—Li1—Li2 | 113.5 (6) | C13—C12—C14 | 120.3 (6) |
C13—Li1—Li2 | 51.7 (4) | C8—C13—C12 | 114.3 (6) |
O3—Li1—I1 | 101.5 (5) | C8—C13—Li1 | 112.3 (5) |
O1—Li1—I1 | 107.8 (5) | C12—C13—Li1 | 119.6 (5) |
C13—Li1—I1 | 113.2 (5) | C8—C13—Li2 | 118.4 (5) |
Li2—Li1—I1 | 61.8 (4) | C12—C13—Li2 | 110.1 (5) |
O2—Li2—C13 | 94.1 (5) | Li1—C13—Li2 | 77.4 (5) |
O2—Li2—Li1 | 108.0 (5) | C15—C14—C19 | 116.8 (6) |
C13—Li2—Li1 | 50.9 (4) | C15—C14—C12 | 119.0 (6) |
O2—Li2—I1i | 111.5 (5) | C19—C14—C12 | 124.1 (6) |
C13—Li2—I1i | 128.9 (6) | C16—C15—C14 | 122.0 (7) |
Li1—Li2—I1i | 140.2 (5) | C16—C15—H15A | 119.0 |
O2—Li2—I1 | 112.4 (5) | C14—C15—H15A | 119.0 |
C13—Li2—I1 | 112.2 (5) | C17—C16—C15 | 120.2 (8) |
Li1—Li2—I1 | 61.7 (4) | C17—C16—H16A | 119.9 |
I1i—Li2—I1 | 98.1 (4) | C15—C16—H16A | 119.9 |
C2—O1—C1 | 117.0 (5) | C16—C17—C18 | 120.2 (7) |
C2—O1—Li1 | 119.7 (5) | C16—C17—H17A | 119.9 |
C1—O1—Li1 | 110.3 (5) | C18—C17—H17A | 119.9 |
C19—O2—C20 | 116.9 (6) | C19—C18—C17 | 119.3 (8) |
C19—O2—Li2 | 121.3 (5) | C19—C18—H18A | 120.3 |
C20—O2—Li2 | 115.8 (6) | C17—C18—H18A | 120.3 |
C24—O3—C21' | 104.6 (9) | C18—C19—O2 | 121.4 (7) |
C24—O3—C21 | 107.2 (6) | C18—C19—C14 | 121.6 (7) |
C24—O3—Li1 | 126.4 (6) | O2—C19—C14 | 116.9 (6) |
C21'—O3—Li1 | 128.7 (9) | O2—C20—H20A | 109.5 |
C21—O3—Li1 | 118.0 (6) | O2—C20—H20B | 109.5 |
O1—C1—H1A | 109.5 | H20A—C20—H20B | 109.5 |
O1—C1—H1B | 109.5 | O2—C20—H20C | 109.5 |
H1A—C1—H1B | 109.5 | H20A—C20—H20C | 109.5 |
O1—C1—H1C | 109.5 | H20B—C20—H20C | 109.5 |
H1A—C1—H1C | 109.5 | C22—C21—O3 | 103.6 (8) |
H1B—C1—H1C | 109.5 | C22—C21—H21A | 111.0 |
C7—C2—O1 | 117.6 (6) | O3—C21—H21A | 111.0 |
C7—C2—C3 | 121.0 (7) | C22—C21—H21B | 111.0 |
O1—C2—C3 | 121.4 (6) | O3—C21—H21B | 111.0 |
C4—C3—C2 | 119.3 (7) | H21A—C21—H21B | 109.0 |
C4—C3—H3A | 120.4 | C23—C22—C21 | 109.9 (9) |
C2—C3—H3A | 120.4 | C23—C22—H22A | 109.7 |
C5—C4—C3 | 120.5 (7) | C21—C22—H22A | 109.7 |
C5—C4—H4A | 119.7 | C23—C22—H22B | 109.7 |
C3—C4—H4A | 119.7 | C21—C22—H22B | 109.7 |
C4—C5—C6 | 119.2 (7) | H22A—C22—H22B | 108.2 |
C4—C5—H5A | 120.4 | O3—C21'—H21C | 111.4 |
C6—C5—H5A | 120.4 | O3—C21'—H21D | 111.4 |
C5—C6—C7 | 122.8 (7) | H21C—C21'—H21D | 109.3 |
C5—C6—H6A | 118.6 | C22—C23—C24 | 107.1 (8) |
C7—C6—H6A | 118.6 | C22—C23—H23A | 110.3 |
C2—C7—C6 | 117.3 (6) | C24—C23—H23A | 110.3 |
C2—C7—C8 | 123.6 (6) | C22—C23—H23B | 110.3 |
C6—C7—C8 | 119.1 (6) | C24—C23—H23B | 110.3 |
C9—C8—C13 | 122.2 (6) | H23A—C23—H23B | 108.5 |
C9—C8—C7 | 116.9 (5) | O3—C24—C23 | 106.3 (6) |
C13—C8—C7 | 120.9 (5) | O3—C24—H24A | 110.5 |
C10—C9—C8 | 121.3 (6) | C23—C24—H24A | 110.5 |
C10—C9—H9A | 119.4 | O3—C24—H24B | 110.5 |
C8—C9—H9A | 119.4 | C23—C24—H24B | 110.5 |
C11—C10—C9 | 118.6 (6) | H24A—C24—H24B | 108.7 |
Li2i—I1—Li1—O3 | −179.0 (4) | C6—C7—C8—C9 | −47.8 (9) |
Li2—I1—Li1—O3 | 134.4 (6) | C2—C7—C8—C13 | −53.5 (9) |
Li2i—I1—Li1—O1 | −61.0 (7) | C6—C7—C8—C13 | 129.6 (7) |
Li2—I1—Li1—O1 | −107.6 (6) | C13—C8—C9—C10 | 0.7 (11) |
Li2i—I1—Li1—C13 | 40.9 (7) | C7—C8—C9—C10 | 178.0 (6) |
Li2—I1—Li1—C13 | −5.7 (4) | C8—C9—C10—C11 | 0.3 (10) |
Li2i—I1—Li1—Li2 | 46.6 (6) | C9—C10—C11—C12 | 0.8 (10) |
O3—Li1—Li2—O2 | 28.2 (11) | C10—C11—C12—C13 | −2.9 (10) |
O1—Li1—Li2—O2 | −155.4 (6) | C10—C11—C12—C14 | 176.4 (6) |
C13—Li1—Li2—O2 | −80.4 (6) | C9—C8—C13—C12 | −2.5 (9) |
I1—Li1—Li2—O2 | 106.3 (6) | C7—C8—C13—C12 | −179.7 (6) |
O3—Li1—Li2—C13 | 108.6 (10) | C9—C8—C13—Li1 | −142.9 (7) |
O1—Li1—Li2—C13 | −75.0 (6) | C7—C8—C13—Li1 | 39.9 (8) |
I1—Li1—Li2—C13 | −173.3 (5) | C9—C8—C13—Li2 | 129.8 (7) |
O3—Li1—Li2—I1i | −144.6 (8) | C7—C8—C13—Li2 | −47.4 (9) |
O1—Li1—Li2—I1i | 31.7 (12) | C11—C12—C13—C8 | 3.6 (9) |
C13—Li1—Li2—I1i | 106.7 (9) | C14—C12—C13—C8 | −175.7 (6) |
I1—Li1—Li2—I1i | −66.6 (8) | C11—C12—C13—Li1 | 140.9 (7) |
O3—Li1—Li2—I1 | −78.0 (8) | C14—C12—C13—Li1 | −38.4 (9) |
O1—Li1—Li2—I1 | 98.4 (6) | C11—C12—C13—Li2 | −132.5 (7) |
C13—Li1—Li2—I1 | 173.3 (5) | C14—C12—C13—Li2 | 48.2 (8) |
Li2i—I1—Li2—O2 | 117.4 (7) | O3—Li1—C13—C8 | 123.3 (7) |
Li1—I1—Li2—O2 | −99.1 (6) | O1—Li1—C13—C8 | 1.7 (7) |
Li2i—I1—Li2—C13 | −138.0 (7) | Li2—Li1—C13—C8 | −115.8 (6) |
Li1—I1—Li2—C13 | 5.6 (4) | I1—Li1—C13—C8 | −109.4 (5) |
Li2i—I1—Li2—Li1 | −143.6 (5) | O3—Li1—C13—C12 | −14.8 (11) |
Li2i—I1—Li2—I1i | 0.0 | O1—Li1—C13—C12 | −136.4 (6) |
Li1—I1—Li2—I1i | 143.6 (5) | Li2—Li1—C13—C12 | 106.1 (6) |
O3—Li1—O1—C2 | −177.7 (6) | I1—Li1—C13—C12 | 112.5 (6) |
C13—Li1—O1—C2 | −44.4 (7) | O3—Li1—C13—Li2 | −120.9 (8) |
Li2—Li1—O1—C2 | 5.1 (9) | O1—Li1—C13—Li2 | 117.5 (6) |
I1—Li1—O1—C2 | 71.3 (6) | I1—Li1—C13—Li2 | 6.4 (5) |
O3—Li1—O1—C1 | 42.0 (8) | O2—Li2—C13—C8 | −141.4 (6) |
C13—Li1—O1—C1 | 175.4 (5) | Li1—Li2—C13—C8 | 108.7 (6) |
Li2—Li1—O1—C1 | −135.1 (6) | I1i—Li2—C13—C8 | −19.3 (9) |
I1—Li1—O1—C1 | −68.9 (6) | I1—Li2—C13—C8 | 102.4 (6) |
C13—Li2—O2—C19 | −38.3 (8) | O2—Li2—C13—C12 | −7.3 (7) |
Li1—Li2—O2—C19 | 11.8 (9) | Li1—Li2—C13—C12 | −117.2 (6) |
I1i—Li2—O2—C19 | −173.1 (5) | I1i—Li2—C13—C12 | 114.8 (7) |
I1—Li2—O2—C19 | 77.9 (7) | I1—Li2—C13—C12 | −123.5 (5) |
C13—Li2—O2—C20 | 169.8 (6) | O2—Li2—C13—Li1 | 109.9 (5) |
Li1—Li2—O2—C20 | −140.1 (7) | I1i—Li2—C13—Li1 | −128.0 (7) |
I1i—Li2—O2—C20 | 35.0 (8) | I1—Li2—C13—Li1 | −6.3 (5) |
I1—Li2—O2—C20 | −74.0 (7) | C11—C12—C14—C15 | −52.0 (9) |
O1—Li1—O3—C24 | 61.5 (9) | C13—C12—C14—C15 | 127.4 (7) |
C13—Li1—O3—C24 | −51.9 (11) | C11—C12—C14—C19 | 125.8 (8) |
Li2—Li1—O3—C24 | −122.0 (9) | C13—C12—C14—C19 | −54.9 (10) |
I1—Li1—O3—C24 | 176.4 (6) | C19—C14—C15—C16 | −2.1 (11) |
O1—Li1—O3—C21' | −110.2 (13) | C12—C14—C15—C16 | 175.8 (7) |
C13—Li1—O3—C21' | 136.4 (13) | C14—C15—C16—C17 | 1.4 (12) |
Li2—Li1—O3—C21' | 66.2 (15) | C15—C16—C17—C18 | 0.0 (13) |
I1—Li1—O3—C21' | 4.7 (13) | C16—C17—C18—C19 | −0.6 (13) |
O1—Li1—O3—C21 | −154.6 (8) | C17—C18—C19—O2 | −176.5 (7) |
C13—Li1—O3—C21 | 92.0 (10) | C17—C18—C19—C14 | −0.1 (12) |
Li2—Li1—O3—C21 | 21.8 (12) | C20—O2—C19—C18 | 13.7 (10) |
I1—Li1—O3—C21 | −39.8 (9) | Li2—O2—C19—C18 | −137.9 (7) |
C1—O1—C2—C7 | −176.2 (6) | C20—O2—C19—C14 | −162.8 (7) |
Li1—O1—C2—C7 | 46.1 (8) | Li2—O2—C19—C14 | 45.6 (9) |
C1—O1—C2—C3 | 2.0 (9) | C15—C14—C19—C18 | 1.4 (11) |
Li1—O1—C2—C3 | −135.7 (7) | C12—C14—C19—C18 | −176.3 (7) |
C7—C2—C3—C4 | −1.6 (10) | C15—C14—C19—O2 | 178.0 (6) |
O1—C2—C3—C4 | −179.7 (6) | C12—C14—C19—O2 | 0.2 (10) |
C2—C3—C4—C5 | −0.9 (11) | C24—O3—C21—C22 | −24.5 (12) |
C3—C4—C5—C6 | 2.3 (11) | C21'—O3—C21—C22 | 67.4 (12) |
C4—C5—C6—C7 | −1.4 (11) | Li1—O3—C21—C22 | −174.7 (9) |
O1—C2—C7—C6 | −179.3 (6) | O3—C21—C22—C23 | 21.1 (15) |
C3—C2—C7—C6 | 2.5 (10) | C21—C22—C23—C24 | −10.1 (16) |
O1—C2—C7—C8 | 3.7 (9) | C21'—O3—C24—C23 | −20.9 (12) |
C3—C2—C7—C8 | −174.5 (6) | C21—O3—C24—C23 | 18.8 (10) |
C5—C6—C7—C2 | −1.0 (10) | Li1—O3—C24—C23 | 165.8 (8) |
C5—C6—C7—C8 | 176.1 (7) | C22—C23—C24—O3 | −5.9 (13) |
C2—C7—C8—C9 | 129.2 (7) |
Symmetry code: (i) −x+2, −y+1, −z+2. |