metal-organic compounds
The title compound, [K(C12H24O6)(C4H8O)2]I, has iodide anions on crystallographic twofold rotation axes and cations in general positions. The coordination of potassium is distorted hexagonal bipyramidal, with an 18-crown-6 ligand as an equatorial belt and two axial tetrahydrofuran ligands. Distortion is marked, consisting mainly of a significant bending of the axial arrangement [O-K-O = 148.53 (13)°] and a shortening of the two equatorial K-O bonds closest to the axial O atoms. This conformation is unprecedented in the previous reports of this cation, with almost thirty different occurrences in nearly twenty crystal structures.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680302676X/lh6144sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680302676X/lh6144Isup2.hkl |
CCDC reference: 227772
Computing details top
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and local programs.
(18-Crown-6)-bis(tetrahydrofuran)potassium iodide top
Crystal data top
[K(C12H24O6)(C4H8O)2]I | Dx = 1.476 Mg m−3 |
Mr = 574.52 | Mo Kα radiation, λ = 0.71073 Å |
Tetragonal, P41212 | Cell parameters from 6732 reflections |
Hall symbol: P 4abw 2nw | θ = 2.8–28.6° |
a = 12.2645 (15) Å | µ = 1.44 mm−1 |
c = 34.372 (6) Å | T = 160 K |
V = 5170.2 (13) Å3 | Square antiprism, colourless |
Z = 8 | 0.66 × 0.62 × 0.54 mm |
F(000) = 2368 |
Data collection top
Bruker SMART 1K CCD diffractometer | 4570 independent reflections |
Radiation source: sealed tube | 4051 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.050 |
Detector resolution: 8.192 pixels mm-1 | θmax = 25.0°, θmin = 1.8° |
thin–slice ω scans | h = −13→14 |
Absorption correction: multi-scan (SADABS; Sheldrick, 2002) | k = −13→14 |
Tmin = 0.29, Tmax = 0.46 | l = −40→39 |
26143 measured reflections |
Refinement top
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.037 | w = 1/[σ2(Fo2) + (0.0303P)2 + 5.4555P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.081 | (Δ/σ)max = 0.001 |
S = 1.10 | Δρmax = 0.86 e Å−3 |
4570 reflections | Δρmin = −0.68 e Å−3 |
273 parameters | Extinction correction: SHELXTL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 restraints | Extinction coefficient: 0.00029 (6) |
Primary atom site location: structure-invariant direct methods | Absolute structure: Flack (1983); 1862 Friedel pairs |
Secondary atom site location: difference Fourier map | Absolute structure parameter: 0.00 (3) |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
K | 0.51423 (9) | 0.00307 (9) | 0.12559 (4) | 0.0267 (2) | |
O1 | 0.6250 (3) | −0.0945 (3) | 0.18612 (9) | 0.0246 (7) | |
O2 | 0.7437 (2) | −0.0146 (3) | 0.12204 (9) | 0.0279 (8) | |
O3 | 0.6358 (3) | 0.1273 (3) | 0.07121 (9) | 0.0282 (8) | |
O4 | 0.4039 (3) | 0.1065 (3) | 0.06323 (9) | 0.0275 (8) | |
O5 | 0.2838 (2) | 0.0288 (3) | 0.12669 (8) | 0.0261 (7) | |
O6 | 0.3913 (3) | −0.1190 (3) | 0.17739 (8) | 0.0243 (7) | |
C1 | 0.7347 (4) | −0.1262 (4) | 0.17826 (14) | 0.0282 (11) | |
H1A | 0.7353 | −0.1908 | 0.1610 | 0.034* | |
H1B | 0.7718 | −0.1459 | 0.2028 | 0.034* | |
C2 | 0.7933 (4) | −0.0338 (5) | 0.15913 (14) | 0.0310 (11) | |
H2A | 0.7882 | 0.0325 | 0.1755 | 0.037* | |
H2B | 0.8713 | −0.0523 | 0.1557 | 0.037* | |
C3 | 0.8005 (4) | 0.0650 (4) | 0.09990 (13) | 0.0285 (11) | |
H3A | 0.8758 | 0.0401 | 0.0946 | 0.034* | |
H3B | 0.8041 | 0.1346 | 0.1144 | 0.034* | |
C4 | 0.7399 (4) | 0.0809 (4) | 0.06231 (14) | 0.0279 (11) | |
H4A | 0.7813 | 0.1302 | 0.0449 | 0.033* | |
H4B | 0.7304 | 0.0101 | 0.0489 | 0.033* | |
C5 | 0.5764 (4) | 0.1529 (4) | 0.03642 (13) | 0.0275 (11) | |
H5A | 0.5694 | 0.0869 | 0.0200 | 0.033* | |
H5B | 0.6161 | 0.2090 | 0.0213 | 0.033* | |
C6 | 0.4655 (4) | 0.1944 (3) | 0.04722 (13) | 0.0269 (10) | |
H6A | 0.4722 | 0.2539 | 0.0666 | 0.032* | |
H6B | 0.4283 | 0.2237 | 0.0239 | 0.032* | |
C7 | 0.2933 (4) | 0.1371 (4) | 0.07022 (14) | 0.0265 (11) | |
H7A | 0.2572 | 0.1552 | 0.0453 | 0.032* | |
H7B | 0.2911 | 0.2026 | 0.0871 | 0.032* | |
C8 | 0.2349 (4) | 0.0465 (4) | 0.08933 (12) | 0.0267 (10) | |
H8A | 0.1568 | 0.0651 | 0.0924 | 0.032* | |
H8B | 0.2404 | −0.0204 | 0.0733 | 0.032* | |
C9 | 0.2280 (4) | −0.0517 (4) | 0.14900 (13) | 0.0268 (11) | |
H9A | 0.2238 | −0.1205 | 0.1340 | 0.032* | |
H9B | 0.1528 | −0.0268 | 0.1544 | 0.032* | |
C10 | 0.2862 (3) | −0.0712 (4) | 0.18619 (13) | 0.0211 (10) | |
H10A | 0.2960 | −0.0016 | 0.2003 | 0.025* | |
H10B | 0.2433 | −0.1213 | 0.2028 | 0.025* | |
C11 | 0.4508 (4) | −0.1417 (4) | 0.21201 (12) | 0.0255 (10) | |
H11A | 0.4121 | −0.1981 | 0.2274 | 0.031* | |
H11B | 0.4561 | −0.0749 | 0.2281 | 0.031* | |
C12 | 0.5629 (4) | −0.1814 (4) | 0.20183 (13) | 0.0251 (11) | |
H12A | 0.5993 | −0.2101 | 0.2254 | 0.030* | |
H12B | 0.5577 | −0.2412 | 0.1826 | 0.030* | |
O7 | 0.4837 (3) | 0.1427 (3) | 0.19156 (12) | 0.0501 (10) | |
C13 | 0.5835 (5) | 0.1881 (5) | 0.20547 (17) | 0.0497 (15) | |
H13A | 0.6426 | 0.1333 | 0.2043 | 0.060* | |
H13B | 0.5753 | 0.2128 | 0.2327 | 0.060* | |
C14 | 0.6088 (5) | 0.2824 (5) | 0.1795 (2) | 0.0616 (19) | |
H14A | 0.6609 | 0.2612 | 0.1589 | 0.074* | |
H14B | 0.6398 | 0.3439 | 0.1945 | 0.074* | |
C15 | 0.4990 (5) | 0.3125 (4) | 0.16235 (16) | 0.0468 (15) | |
H15A | 0.4796 | 0.3889 | 0.1686 | 0.056* | |
H15B | 0.4988 | 0.3029 | 0.1337 | 0.056* | |
C16 | 0.4224 (5) | 0.2347 (4) | 0.18143 (19) | 0.0445 (16) | |
H16A | 0.3897 | 0.2681 | 0.2049 | 0.053* | |
H16B | 0.3630 | 0.2144 | 0.1633 | 0.053* | |
O8 | 0.5448 (4) | −0.2137 (4) | 0.09561 (13) | 0.0713 (14) | |
C17 | 0.5759 (6) | −0.2020 (7) | 0.05895 (18) | 0.084 (3) | |
H17A | 0.6184 | −0.2664 | 0.0505 | 0.100* | |
H17B | 0.6225 | −0.1365 | 0.0563 | 0.100* | |
C18 | 0.4770 (7) | −0.1905 (6) | 0.0347 (2) | 0.077 (2) | |
H18A | 0.4864 | −0.2266 | 0.0091 | 0.093* | |
H18B | 0.4584 | −0.1128 | 0.0305 | 0.093* | |
C19 | 0.3911 (5) | −0.2472 (6) | 0.0588 (2) | 0.067 (2) | |
H19A | 0.3311 | −0.1967 | 0.0656 | 0.080* | |
H19B | 0.3605 | −0.3108 | 0.0448 | 0.080* | |
C20 | 0.4511 (7) | −0.2817 (6) | 0.0937 (2) | 0.074 (2) | |
H20A | 0.4056 | −0.2725 | 0.1173 | 0.089* | |
H20B | 0.4727 | −0.3593 | 0.0916 | 0.089* | |
I1 | 0.03374 (2) | 0.03374 (2) | 0.0000 | 0.03463 (13) | |
I2 | 0.48543 (2) | 0.48543 (2) | 0.0000 | 0.03338 (13) |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
K | 0.0298 (5) | 0.0223 (6) | 0.0281 (5) | −0.0009 (5) | −0.0017 (5) | 0.0042 (3) |
O1 | 0.0224 (17) | 0.0225 (17) | 0.0288 (19) | 0.0043 (13) | 0.0003 (14) | 0.0008 (14) |
O2 | 0.0291 (16) | 0.028 (2) | 0.0266 (17) | −0.0070 (14) | −0.0032 (13) | 0.0020 (13) |
O3 | 0.0275 (19) | 0.032 (2) | 0.0247 (18) | −0.0048 (15) | −0.0013 (15) | 0.0033 (15) |
O4 | 0.0308 (19) | 0.0261 (18) | 0.0257 (18) | −0.0008 (15) | −0.0007 (15) | 0.0056 (15) |
O5 | 0.0311 (16) | 0.0256 (19) | 0.0215 (16) | −0.0024 (15) | −0.0047 (13) | 0.0044 (13) |
O6 | 0.0276 (18) | 0.0305 (19) | 0.0147 (16) | 0.0060 (14) | 0.0024 (14) | −0.0039 (14) |
C1 | 0.027 (3) | 0.029 (3) | 0.029 (3) | 0.004 (2) | −0.007 (2) | 0.001 (2) |
C2 | 0.022 (2) | 0.036 (3) | 0.034 (3) | 0.004 (2) | −0.002 (2) | 0.006 (3) |
C3 | 0.025 (3) | 0.026 (3) | 0.034 (3) | −0.003 (2) | 0.004 (2) | −0.001 (2) |
C4 | 0.032 (3) | 0.028 (3) | 0.023 (3) | −0.005 (2) | 0.003 (2) | 0.002 (2) |
C5 | 0.035 (3) | 0.034 (3) | 0.014 (2) | −0.014 (2) | −0.006 (2) | 0.001 (2) |
C6 | 0.038 (3) | 0.020 (2) | 0.023 (2) | −0.005 (2) | −0.006 (2) | 0.0003 (18) |
C7 | 0.028 (3) | 0.026 (3) | 0.025 (3) | 0.011 (2) | 0.002 (2) | 0.002 (2) |
C8 | 0.030 (3) | 0.028 (3) | 0.022 (2) | 0.006 (2) | −0.0030 (19) | −0.004 (2) |
C9 | 0.027 (3) | 0.029 (3) | 0.024 (3) | −0.001 (2) | −0.0044 (19) | 0.004 (2) |
C10 | 0.021 (2) | 0.019 (2) | 0.023 (3) | −0.0064 (18) | 0.0039 (19) | −0.0036 (19) |
C11 | 0.033 (3) | 0.028 (3) | 0.015 (2) | −0.001 (2) | 0.005 (2) | −0.0011 (18) |
C12 | 0.036 (3) | 0.019 (2) | 0.021 (2) | 0.001 (2) | −0.001 (2) | 0.0011 (18) |
O7 | 0.052 (3) | 0.035 (2) | 0.064 (3) | 0.0006 (19) | −0.003 (2) | −0.0024 (18) |
C13 | 0.049 (4) | 0.049 (4) | 0.051 (4) | −0.003 (3) | −0.013 (3) | 0.008 (3) |
C14 | 0.036 (4) | 0.060 (4) | 0.088 (5) | −0.010 (3) | −0.002 (3) | 0.030 (4) |
C15 | 0.059 (4) | 0.049 (3) | 0.033 (3) | 0.007 (3) | −0.012 (3) | 0.002 (2) |
C16 | 0.036 (3) | 0.028 (3) | 0.069 (4) | 0.004 (3) | 0.000 (3) | −0.017 (3) |
O8 | 0.097 (4) | 0.057 (3) | 0.060 (3) | −0.025 (3) | −0.025 (3) | 0.005 (2) |
C17 | 0.066 (5) | 0.150 (8) | 0.035 (4) | −0.071 (5) | 0.005 (3) | −0.002 (4) |
C18 | 0.108 (6) | 0.069 (5) | 0.056 (4) | −0.024 (5) | −0.039 (5) | 0.022 (3) |
C19 | 0.029 (3) | 0.060 (5) | 0.112 (6) | 0.010 (3) | −0.003 (4) | −0.029 (4) |
C20 | 0.103 (6) | 0.058 (4) | 0.063 (5) | −0.049 (4) | 0.022 (5) | −0.009 (4) |
I1 | 0.03565 (17) | 0.03565 (17) | 0.0326 (2) | 0.00175 (18) | −0.00208 (15) | 0.00208 (15) |
I2 | 0.03099 (16) | 0.03099 (16) | 0.0382 (3) | −0.00381 (16) | 0.00053 (13) | −0.00053 (13) |
Geometric parameters (Å, º) top
K—O1 | 2.758 (3) | C8—H8A | 0.990 |
K—O2 | 2.825 (3) | C8—H8B | 0.990 |
K—O3 | 2.835 (3) | C9—H9A | 0.990 |
K—O4 | 2.834 (3) | C9—H9B | 0.990 |
K—O5 | 2.844 (3) | C9—C10 | 1.483 (6) |
K—O6 | 2.772 (3) | C10—H10A | 0.990 |
K—O7 | 2.866 (4) | C10—H10B | 0.990 |
K—O8 | 2.876 (5) | C11—H11A | 0.990 |
O1—C1 | 1.426 (6) | C11—H11B | 0.990 |
O1—C12 | 1.417 (5) | C11—C12 | 1.500 (7) |
O2—C2 | 1.432 (5) | C12—H12A | 0.990 |
O2—C3 | 1.420 (5) | C12—H12B | 0.990 |
O3—C4 | 1.431 (6) | O7—C13 | 1.427 (7) |
O3—C5 | 1.435 (5) | O7—C16 | 1.401 (6) |
O4—C6 | 1.428 (5) | C13—H13A | 0.990 |
O4—C7 | 1.428 (5) | C13—H13B | 0.990 |
O5—C8 | 1.434 (5) | C13—C14 | 1.493 (8) |
O5—C9 | 1.425 (5) | C14—H14A | 0.990 |
O6—C10 | 1.448 (5) | C14—H14B | 0.990 |
O6—C11 | 1.423 (5) | C14—C15 | 1.516 (8) |
C1—H1A | 0.990 | C15—H15A | 0.990 |
C1—H1B | 0.990 | C15—H15B | 0.990 |
C1—C2 | 1.495 (7) | C15—C16 | 1.491 (8) |
C2—H2A | 0.990 | C16—H16A | 0.990 |
C2—H2B | 0.990 | C16—H16B | 0.990 |
C3—H3A | 0.990 | O8—C17 | 1.324 (7) |
C3—H3B | 0.990 | O8—C20 | 1.422 (8) |
C3—C4 | 1.503 (6) | C17—H17A | 0.990 |
C4—H4A | 0.990 | C17—H17B | 0.990 |
C4—H4B | 0.990 | C17—C18 | 1.479 (9) |
C5—H5A | 0.990 | C18—H18A | 0.990 |
C5—H5B | 0.990 | C18—H18B | 0.990 |
C5—C6 | 1.499 (7) | C18—C19 | 1.511 (10) |
C6—H6A | 0.990 | C19—H19A | 0.990 |
C6—H6B | 0.990 | C19—H19B | 0.990 |
C7—H7A | 0.990 | C19—C20 | 1.469 (9) |
C7—H7B | 0.990 | C20—H20A | 0.990 |
C7—C8 | 1.477 (6) | C20—H20B | 0.990 |
O1—K—O2 | 60.56 (9) | H7A—C7—C8 | 109.7 |
O1—K—O3 | 118.12 (11) | H7B—C7—C8 | 109.7 |
O1—K—O4 | 178.83 (11) | O5—C8—C7 | 108.0 (4) |
O1—K—O5 | 121.85 (10) | O5—C8—H8A | 110.1 |
O1—K—O6 | 63.21 (10) | O5—C8—H8B | 110.1 |
O1—K—O7 | 74.14 (11) | C7—C8—H8A | 110.1 |
O1—K—O8 | 78.75 (11) | C7—C8—H8B | 110.1 |
O2—K—O3 | 59.26 (9) | H8A—C8—H8B | 108.4 |
O2—K—O4 | 118.51 (10) | O5—C9—H9A | 109.6 |
O2—K—O5 | 177.39 (11) | O5—C9—H9B | 109.6 |
O2—K—O6 | 121.89 (10) | O5—C9—C10 | 110.2 (4) |
O2—K—O7 | 102.12 (11) | H9A—C9—H9B | 108.1 |
O2—K—O8 | 77.50 (12) | H9A—C9—C10 | 109.6 |
O3—K—O4 | 60.80 (10) | H9B—C9—C10 | 109.6 |
O3—K—O5 | 118.14 (10) | O6—C10—C9 | 108.3 (4) |
O3—K—O6 | 178.57 (11) | O6—C10—H10A | 110.0 |
O3—K—O7 | 105.61 (11) | O6—C10—H10B | 110.0 |
O3—K—O8 | 101.07 (13) | C9—C10—H10A | 110.0 |
O4—K—O5 | 59.06 (9) | C9—C10—H10B | 110.0 |
O4—K—O6 | 117.87 (11) | H10A—C10—H10B | 108.4 |
O4—K—O7 | 105.59 (11) | O6—C11—H11A | 109.7 |
O4—K—O8 | 101.82 (11) | O6—C11—H11B | 109.7 |
O5—K—O6 | 60.71 (9) | O6—C11—C12 | 109.8 (3) |
O5—K—O7 | 78.08 (11) | H11A—C11—H11B | 108.2 |
O5—K—O8 | 103.72 (13) | H11A—C11—C12 | 109.7 |
O6—K—O7 | 75.13 (11) | H11B—C11—C12 | 109.7 |
O6—K—O8 | 78.58 (12) | O1—C12—C11 | 109.8 (4) |
O7—K—O8 | 148.53 (13) | O1—C12—H12A | 109.7 |
K—O1—C1 | 116.1 (3) | O1—C12—H12B | 109.7 |
K—O1—C12 | 110.4 (3) | C11—C12—H12A | 109.7 |
C1—O1—C12 | 112.0 (3) | C11—C12—H12B | 109.7 |
K—O2—C2 | 113.4 (2) | H12A—C12—H12B | 108.2 |
K—O2—C3 | 117.3 (3) | K—O7—C13 | 112.8 (3) |
C2—O2—C3 | 112.5 (3) | K—O7—C16 | 110.8 (3) |
K—O3—C4 | 113.3 (3) | C13—O7—C16 | 103.2 (4) |
K—O3—C5 | 113.6 (3) | O7—C13—H13A | 110.5 |
C4—O3—C5 | 111.2 (3) | O7—C13—H13B | 110.5 |
K—O4—C6 | 112.1 (3) | O7—C13—C14 | 106.3 (5) |
K—O4—C7 | 116.4 (3) | H13A—C13—H13B | 108.7 |
C6—O4—C7 | 111.6 (4) | H13A—C13—C14 | 110.5 |
K—O5—C8 | 114.9 (2) | H13B—C13—C14 | 110.5 |
K—O5—C9 | 114.0 (3) | C13—C14—H14A | 111.0 |
C8—O5—C9 | 112.7 (3) | C13—C14—H14B | 111.0 |
K—O6—C10 | 113.6 (2) | C13—C14—C15 | 103.6 (5) |
K—O6—C11 | 111.3 (3) | H14A—C14—H14B | 109.0 |
C10—O6—C11 | 111.2 (3) | H14A—C14—C15 | 111.0 |
O1—C1—H1A | 109.8 | H14B—C14—C15 | 111.0 |
O1—C1—H1B | 109.8 | C14—C15—H15A | 111.1 |
O1—C1—C2 | 109.2 (4) | C14—C15—H15B | 111.1 |
H1A—C1—H1B | 108.3 | C14—C15—C16 | 103.5 (4) |
H1A—C1—C2 | 109.8 | H15A—C15—H15B | 109.0 |
H1B—C1—C2 | 109.8 | H15A—C15—C16 | 111.1 |
O2—C2—C1 | 108.2 (4) | H15B—C15—C16 | 111.1 |
O2—C2—H2A | 110.1 | O7—C16—C15 | 106.6 (5) |
O2—C2—H2B | 110.1 | O7—C16—H16A | 110.4 |
C1—C2—H2A | 110.1 | O7—C16—H16B | 110.4 |
C1—C2—H2B | 110.1 | C15—C16—H16A | 110.4 |
H2A—C2—H2B | 108.4 | C15—C16—H16B | 110.4 |
O2—C3—H3A | 110.1 | H16A—C16—H16B | 108.6 |
O2—C3—H3B | 110.1 | K—O8—C17 | 106.2 (5) |
O2—C3—C4 | 107.9 (4) | K—O8—C20 | 117.0 (4) |
H3A—C3—H3B | 108.4 | C17—O8—C20 | 104.6 (5) |
H3A—C3—C4 | 110.1 | O8—C17—H17A | 110.1 |
H3B—C3—C4 | 110.1 | O8—C17—H17B | 110.1 |
O3—C4—C3 | 108.0 (4) | O8—C17—C18 | 108.2 (6) |
O3—C4—H4A | 110.1 | H17A—C17—H17B | 108.4 |
O3—C4—H4B | 110.1 | H17A—C17—C18 | 110.1 |
C3—C4—H4A | 110.1 | H17B—C17—C18 | 110.1 |
C3—C4—H4B | 110.1 | C17—C18—H18A | 111.3 |
H4A—C4—H4B | 108.4 | C17—C18—H18B | 111.3 |
O3—C5—H5A | 109.8 | C17—C18—C19 | 102.6 (5) |
O3—C5—H5B | 109.8 | H18A—C18—H18B | 109.2 |
O3—C5—C6 | 109.2 (4) | H18A—C18—C19 | 111.3 |
H5A—C5—H5B | 108.3 | H18B—C18—C19 | 111.3 |
H5A—C5—C6 | 109.8 | C18—C19—H19A | 111.1 |
H5B—C5—C6 | 109.8 | C18—C19—H19B | 111.1 |
O4—C6—C5 | 108.6 (4) | C18—C19—C20 | 103.4 (5) |
O4—C6—H6A | 110.0 | H19A—C19—H19B | 109.0 |
O4—C6—H6B | 110.0 | H19A—C19—C20 | 111.1 |
C5—C6—H6A | 110.0 | H19B—C19—C20 | 111.1 |
C5—C6—H6B | 110.0 | O8—C20—C19 | 105.9 (5) |
H6A—C6—H6B | 108.4 | O8—C20—H20A | 110.6 |
O4—C7—H7A | 109.7 | O8—C20—H20B | 110.6 |
O4—C7—H7B | 109.7 | C19—C20—H20A | 110.6 |
O4—C7—C8 | 109.7 (4) | C19—C20—H20B | 110.6 |
H7A—C7—H7B | 108.2 | H20A—C20—H20B | 108.7 |
O6—K—O1—C12 | 20.0 (2) | C12—O1—C1—C2 | 175.9 (4) |
O2—K—O1—C12 | −144.7 (3) | K—O1—C1—C2 | 47.8 (5) |
O3—K—O1—C12 | −159.4 (2) | C3—O2—C2—C1 | −174.2 (4) |
O5—K—O1—C12 | 36.5 (3) | K—O2—C2—C1 | 49.7 (5) |
O7—K—O1—C12 | 101.1 (3) | O1—C1—C2—O2 | −64.9 (5) |
O8—K—O1—C12 | −62.8 (3) | C2—O2—C3—C4 | −178.4 (4) |
O6—K—O1—C1 | 148.8 (3) | K—O2—C3—C4 | −44.2 (4) |
O2—K—O1—C1 | −15.8 (3) | C5—O3—C4—C3 | 175.5 (4) |
O3—K—O1—C1 | −30.6 (3) | K—O3—C4—C3 | −55.2 (4) |
O5—K—O1—C1 | 165.3 (3) | O2—C3—C4—O3 | 65.6 (5) |
O7—K—O1—C1 | −130.1 (3) | C4—O3—C5—C6 | 176.4 (4) |
O8—K—O1—C1 | 66.0 (3) | K—O3—C5—C6 | 47.1 (4) |
O1—K—O2—C3 | −152.5 (3) | C7—O4—C6—C5 | −173.6 (4) |
O6—K—O2—C3 | −168.6 (3) | K—O4—C6—C5 | 53.8 (4) |
O4—K—O2—C3 | 26.7 (3) | O3—C5—C6—O4 | −68.9 (4) |
O3—K—O2—C3 | 12.3 (3) | C6—O4—C7—C8 | −175.9 (4) |
O7—K—O2—C3 | −88.8 (3) | K—O4—C7—C8 | −45.5 (4) |
O8—K—O2—C3 | 123.5 (3) | C9—O5—C8—C7 | 175.4 (4) |
O1—K—O2—C2 | −18.7 (3) | K—O5—C8—C7 | −51.7 (4) |
O6—K—O2—C2 | −34.9 (3) | O4—C7—C8—O5 | 64.1 (5) |
O4—K—O2—C2 | 160.5 (3) | C8—O5—C9—C10 | 176.5 (4) |
O3—K—O2—C2 | 146.1 (3) | K—O5—C9—C10 | 43.2 (4) |
O7—K—O2—C2 | 45.0 (3) | C11—O6—C10—C9 | −178.9 (4) |
O8—K—O2—C2 | −102.7 (3) | K—O6—C10—C9 | 54.6 (4) |
O1—K—O3—C4 | 38.1 (3) | O5—C9—C10—O6 | −65.6 (5) |
O2—K—O3—C4 | 23.1 (3) | C10—O6—C11—C12 | −174.8 (3) |
O4—K—O3—C4 | −142.5 (3) | K—O6—C11—C12 | −47.1 (4) |
O5—K—O3—C4 | −157.3 (3) | C1—O1—C12—C11 | 176.2 (4) |
O7—K—O3—C4 | 118.1 (3) | K—O1—C12—C11 | −52.7 (4) |
O8—K—O3—C4 | −45.0 (3) | O6—C11—C12—O1 | 69.8 (4) |
O1—K—O3—C5 | 166.2 (3) | O1—K—O7—C16 | 178.3 (3) |
O2—K—O3—C5 | 151.3 (3) | O6—K—O7—C16 | −115.8 (3) |
O4—K—O3—C5 | −14.3 (3) | O2—K—O7—C16 | 124.1 (3) |
O5—K—O3—C5 | −29.1 (3) | O4—K—O7—C16 | −0.5 (3) |
O7—K—O3—C5 | −113.7 (3) | O3—K—O7—C16 | 62.9 (3) |
O8—K—O3—C5 | 83.2 (3) | O5—K—O7—C16 | −53.3 (3) |
O6—K—O4—C6 | 159.6 (3) | O8—K—O7—C16 | −150.1 (3) |
O2—K—O4—C6 | −35.1 (3) | O1—K—O7—C13 | 63.2 (3) |
O3—K—O4—C6 | −21.0 (3) | O6—K—O7—C13 | 129.0 (3) |
O5—K—O4—C6 | 143.8 (3) | O2—K—O7—C13 | 8.9 (3) |
O7—K—O4—C6 | 78.4 (3) | O4—K—O7—C13 | −115.6 (3) |
O8—K—O4—C6 | −117.2 (3) | O3—K—O7—C13 | −52.2 (3) |
O6—K—O4—C7 | 29.4 (3) | O5—K—O7—C13 | −168.4 (3) |
O2—K—O4—C7 | −165.3 (3) | O8—K—O7—C13 | 94.7 (4) |
O3—K—O4—C7 | −151.2 (3) | C16—O7—C13—C14 | −39.1 (6) |
O5—K—O4—C7 | 13.6 (3) | K—O7—C13—C14 | 80.5 (5) |
O7—K—O4—C7 | −51.8 (3) | O7—C13—C14—C15 | 22.2 (7) |
O8—K—O4—C7 | 112.6 (3) | C13—C14—C15—C16 | 1.9 (7) |
O1—K—O5—C9 | −28.0 (3) | C13—O7—C16—C15 | 40.6 (6) |
O6—K—O5—C9 | −11.1 (3) | K—O7—C16—C15 | −80.4 (4) |
O4—K—O5—C9 | 152.9 (3) | C14—C15—C16—O7 | −26.1 (6) |
O3—K—O5—C9 | 167.9 (3) | O1—K—O8—C17 | −136.0 (4) |
O7—K—O5—C9 | −90.6 (3) | O6—K—O8—C17 | 159.4 (4) |
O8—K—O5—C9 | 57.1 (3) | O2—K—O8—C17 | −74.0 (4) |
O1—K—O5—C8 | −160.3 (3) | O4—K—O8—C17 | 43.0 (4) |
O6—K—O5—C8 | −143.4 (3) | O3—K—O8—C17 | −19.2 (4) |
O4—K—O5—C8 | 20.6 (3) | O5—K—O8—C17 | 103.7 (4) |
O3—K—O5—C8 | 35.6 (3) | O7—K—O8—C17 | −166.8 (4) |
O7—K—O5—C8 | 137.1 (3) | O1—K—O8—C20 | 107.8 (4) |
O8—K—O5—C8 | −75.1 (3) | O6—K—O8—C20 | 43.1 (4) |
O1—K—O6—C11 | 14.7 (3) | O2—K—O8—C20 | 169.8 (4) |
O2—K—O6—C11 | 30.4 (3) | O4—K—O8—C20 | −73.3 (4) |
O4—K—O6—C11 | −164.8 (3) | O3—K—O8—C20 | −135.4 (4) |
O5—K—O6—C11 | −149.2 (3) | O5—K—O8—C20 | −12.6 (4) |
O7—K—O6—C11 | −64.8 (3) | O7—K—O8—C20 | 76.9 (5) |
O8—K—O6—C11 | 97.8 (3) | C20—O8—C17—C18 | 39.3 (8) |
O1—K—O6—C10 | 141.1 (3) | K—O8—C17—C18 | −85.0 (6) |
O2—K—O6—C10 | 156.9 (2) | O8—C17—C18—C19 | −24.9 (9) |
O4—K—O6—C10 | −38.4 (3) | C17—C18—C19—C20 | 0.9 (8) |
O5—K—O6—C10 | −22.8 (2) | C17—O8—C20—C19 | −38.1 (8) |
O7—K—O6—C10 | 61.7 (3) | K—O8—C20—C19 | 79.0 (5) |
O8—K—O6—C10 | −135.8 (3) | C18—C19—C20—O8 | 21.3 (7) |