| Literature DB >> 23476494 |
Abstract
The title compound, [Al2K2(C2H6N)8(C4H8O)] n , formed during the sonochemical reaction between Al(NMe2)3 and sodium-potassium alloy in the presence of tetra-hydro-furan (THF). Its asymmetric unit has two inequivalent K(+) sites. One site is coordinated by a THF ligand, and crystallizes as a one-dimensional polymer with a backbone of catenated AlN2K rings. A twofold rotation axis bis-ects one K(+) site and the THF ligand; the second K(+) site is situated on an inversion centre, resulting in a planar four-coordination by N atoms. The latter symmetry operation generates the second half of the THF mol-ecule and fills out the coordination sphere of the potassium sites. The chains extend along the c-axis direction and zigzag at the THF-coordinated K(+) sites by an angle of 106.02 (5)°.Entities:
Year: 2013 PMID: 23476494 PMCID: PMC3588537 DOI: 10.1107/S1600536813003553
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Al2K2(C2H6N)8(C4H8O)] | |
| Monoclinic, | Mo |
| Cell parameters from 6485 reflections | |
| θ = 2.3–30.2° | |
| µ = 0.36 mm−1 | |
| β = 90.979 (5)° | |
| Chunk, orange | |
| 0.74 × 0.57 × 0.42 mm |
| Bruker SMART APEXII CCD diffractometer | 4928 independent reflections |
| Radiation source: fine-focus sealed tube | 3986 reflections with |
| Graphite monochromator | |
| ω scans | θmax = 30.9°, θmin = 2.0° |
| Absorption correction: multi-scan ( | |
| 18795 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 4928 reflections | (Δ/σ)max = 0.001 |
| 155 parameters | Δρmax = 0.25 e Å−3 |
| 0 restraints | Δρmin = −0.30 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 |
| K1 | 0.5000 | 0.32471 (3) | 0.7500 | 0.03918 (11) | |
| K2 | 0.5000 | 0.0000 | 0.5000 | 0.07103 (19) | |
| Al | 0.52871 (2) | 0.22259 (3) | 0.595808 (16) | 0.02748 (9) | |
| O1S | 0.5000 | 0.54941 (12) | 0.7500 | 0.0520 (3) | |
| N1 | 0.50523 (8) | 0.23469 (9) | 0.50846 (5) | 0.0361 (2) | |
| N2 | 0.60258 (8) | 0.34150 (9) | 0.62545 (5) | 0.0374 (2) | |
| N3 | 0.59582 (7) | 0.09033 (8) | 0.61187 (5) | 0.0338 (2) | |
| N4 | 0.40721 (7) | 0.21492 (9) | 0.63840 (5) | 0.0358 (2) | |
| C1S | 0.57959 (13) | 0.61739 (15) | 0.77418 (9) | 0.0614 (4) | |
| H1SA | 0.6445 | 0.5961 | 0.7547 | 0.074* | |
| H1SB | 0.5862 | 0.6096 | 0.8214 | 0.074* | |
| C2S | 0.55312 (18) | 0.73207 (19) | 0.75688 (16) | 0.1055 (10) | |
| H2SA | 0.5692 | 0.7829 | 0.7929 | 0.127* | |
| H2SB | 0.5910 | 0.7561 | 0.7188 | 0.127* | |
| C11 | 0.40625 (11) | 0.24265 (14) | 0.47861 (7) | 0.0497 (3) | |
| H11A | 0.4061 | 0.2036 | 0.4374 | 0.075* | |
| H11B | 0.3893 | 0.3207 | 0.4715 | 0.075* | |
| H11C | 0.3562 | 0.2090 | 0.5067 | 0.075* | |
| C12 | 0.58075 (12) | 0.27839 (15) | 0.46587 (7) | 0.0543 (4) | |
| H12A | 0.5837 | 0.2323 | 0.4272 | 0.081* | |
| H12B | 0.6468 | 0.2781 | 0.4878 | 0.081* | |
| H12C | 0.5629 | 0.3544 | 0.4537 | 0.081* | |
| C21 | 0.59360 (13) | 0.44990 (12) | 0.59569 (8) | 0.0533 (4) | |
| H21A | 0.6505 | 0.4617 | 0.5670 | 0.080* | |
| H21B | 0.5942 | 0.5071 | 0.6291 | 0.080* | |
| H21C | 0.5301 | 0.4540 | 0.5709 | 0.080* | |
| C22 | 0.69696 (10) | 0.33235 (13) | 0.66072 (8) | 0.0501 (3) | |
| H22A | 0.7531 | 0.3352 | 0.6307 | 0.075* | |
| H22B | 0.6988 | 0.2619 | 0.6841 | 0.075* | |
| H22C | 0.7030 | 0.3937 | 0.6913 | 0.075* | |
| C31 | 0.68988 (10) | 0.06920 (12) | 0.57922 (7) | 0.0474 (3) | |
| H31A | 0.6982 | −0.0108 | 0.5731 | 0.057* | |
| H31B | 0.7463 | 0.0979 | 0.6052 | 0.057* | |
| H31C | 0.6885 | 0.1061 | 0.5373 | 0.057* | |
| C32 | 0.59875 (13) | 0.03606 (14) | 0.67380 (7) | 0.0561 (4) | |
| H32A | 0.6057 | −0.0440 | 0.6677 | 0.084* | |
| H32B | 0.5361 | 0.0516 | 0.6965 | 0.084* | |
| H32C | 0.6564 | 0.0639 | 0.6991 | 0.084* | |
| C41 | 0.34632 (11) | 0.11493 (15) | 0.63898 (8) | 0.0555 (4) | |
| H41A | 0.3036 | 0.1123 | 0.6001 | 0.083* | |
| H41B | 0.3036 | 0.1151 | 0.6769 | 0.083* | |
| H41C | 0.3906 | 0.0500 | 0.6403 | 0.083* | |
| C42 | 0.34249 (10) | 0.31184 (15) | 0.63825 (8) | 0.0526 (4) | |
| H42A | 0.2979 | 0.3102 | 0.6002 | 0.079* | |
| H42B | 0.3841 | 0.3789 | 0.6373 | 0.079* | |
| H42C | 0.3017 | 0.3119 | 0.6771 | 0.079* |
| K1 | 0.0424 (2) | 0.0394 (2) | 0.03566 (19) | 0.000 | −0.00112 (14) | 0.000 |
| K2 | 0.1055 (4) | 0.0351 (2) | 0.0709 (3) | 0.0086 (3) | −0.0445 (3) | −0.0172 (2) |
| Al | 0.02602 (16) | 0.02410 (17) | 0.03224 (17) | −0.00161 (12) | −0.00140 (12) | −0.00017 (12) |
| O1S | 0.0558 (8) | 0.0413 (8) | 0.0586 (9) | 0.000 | −0.0084 (7) | 0.000 |
| N1 | 0.0381 (5) | 0.0367 (6) | 0.0335 (5) | 0.0005 (4) | −0.0032 (4) | 0.0051 (4) |
| N2 | 0.0341 (5) | 0.0293 (5) | 0.0488 (6) | −0.0068 (4) | −0.0032 (4) | −0.0014 (4) |
| N3 | 0.0348 (5) | 0.0297 (5) | 0.0369 (5) | 0.0023 (4) | −0.0034 (4) | 0.0035 (4) |
| N4 | 0.0268 (4) | 0.0388 (6) | 0.0418 (5) | −0.0039 (4) | 0.0001 (4) | −0.0010 (4) |
| C1S | 0.0516 (8) | 0.0589 (10) | 0.0732 (11) | −0.0001 (7) | −0.0148 (7) | −0.0021 (8) |
| C2S | 0.0924 (17) | 0.0547 (13) | 0.167 (3) | −0.0215 (11) | −0.0594 (17) | 0.0213 (14) |
| C11 | 0.0500 (8) | 0.0513 (8) | 0.0473 (7) | 0.0007 (6) | −0.0152 (6) | 0.0074 (6) |
| C12 | 0.0571 (9) | 0.0629 (10) | 0.0433 (7) | 0.0029 (7) | 0.0091 (6) | 0.0151 (7) |
| C21 | 0.0656 (9) | 0.0294 (7) | 0.0650 (9) | −0.0119 (6) | 0.0007 (7) | 0.0004 (6) |
| C22 | 0.0353 (6) | 0.0531 (9) | 0.0615 (9) | −0.0094 (6) | −0.0054 (6) | −0.0121 (7) |
| C31 | 0.0379 (6) | 0.0431 (8) | 0.0611 (8) | 0.0102 (6) | −0.0014 (6) | 0.0014 (6) |
| C32 | 0.0657 (10) | 0.0530 (9) | 0.0494 (8) | 0.0089 (7) | −0.0050 (7) | 0.0171 (7) |
| C41 | 0.0431 (7) | 0.0640 (10) | 0.0593 (9) | −0.0239 (7) | 0.0007 (6) | 0.0040 (7) |
| C42 | 0.0341 (6) | 0.0654 (10) | 0.0581 (9) | 0.0127 (6) | −0.0050 (6) | −0.0092 (7) |
| K1—O1S | 2.7133 (18) | N3—C31 | 1.4521 (17) |
| K1—N4i | 2.9274 (12) | N4—C42 | 1.4506 (18) |
| K1—N4 | 2.9275 (12) | N4—C41 | 1.4522 (18) |
| K1—N2 | 2.9553 (14) | C1S—C2S | 1.472 (3) |
| K1—N2i | 2.9553 (14) | C1S—H1SA | 0.9900 |
| K1—C42i | 3.1026 (16) | C1S—H1SB | 0.9900 |
| K1—C42 | 3.1026 (16) | C2S—C2Si | 1.431 (4) |
| K1—C22i | 3.2306 (17) | C2S—H2SA | 0.9900 |
| K1—C22 | 3.2307 (17) | C2S—H2SB | 0.9900 |
| K1—Ali | 3.4662 (11) | C11—H11A | 0.9800 |
| K1—Al | 3.4662 (11) | C11—H11B | 0.9800 |
| K2—N1 | 2.8402 (14) | C11—H11C | 0.9800 |
| K2—N1ii | 2.8402 (14) | C12—H12A | 0.9800 |
| K2—N3ii | 2.8506 (12) | C12—H12B | 0.9800 |
| K2—N3 | 2.8506 (12) | C12—H12C | 0.9800 |
| K2—C31ii | 3.0990 (16) | C21—H21A | 0.9800 |
| K2—C31 | 3.0991 (16) | C21—H21B | 0.9800 |
| K2—C11ii | 3.2103 (18) | C21—H21C | 0.9800 |
| K2—C11 | 3.2103 (18) | C22—H22A | 0.9800 |
| K2—Alii | 3.3649 (9) | C22—H22B | 0.9800 |
| K2—Al | 3.3649 (9) | C22—H22C | 0.9800 |
| K2—H31A | 3.0156 | C31—H31A | 0.9807 |
| K2—H31C | 2.9013 | C31—H31B | 0.9791 |
| Al—N2 | 1.8383 (11) | C31—H31C | 0.9800 |
| Al—N1 | 1.8457 (12) | C32—H32A | 0.9800 |
| Al—N4 | 1.8533 (11) | C32—H32B | 0.9800 |
| Al—N3 | 1.8554 (11) | C32—H32C | 0.9800 |
| O1S—C1S | 1.4215 (19) | C41—H41A | 0.9800 |
| O1S—C1Si | 1.4215 (19) | C41—H41B | 0.9800 |
| N1—C11 | 1.4446 (17) | C41—H41C | 0.9800 |
| N1—C12 | 1.4478 (17) | C42—H42A | 0.9800 |
| N2—C22 | 1.4433 (17) | C42—H42B | 0.9800 |
| N2—C21 | 1.4522 (18) | C42—H42C | 0.9800 |
| N3—C32 | 1.4464 (17) | ||
| O1S—K1—N4i | 116.93 (2) | H31A—K2—H31C | 31.3 |
| O1S—K1—N4 | 116.93 (2) | N2—Al—N1 | 110.41 (5) |
| N4i—K1—N4 | 126.15 (5) | N2—Al—N4 | 109.88 (5) |
| O1S—K1—N2 | 86.06 (2) | N1—Al—N4 | 110.02 (5) |
| N4i—K1—N2 | 122.31 (3) | N2—Al—N3 | 111.17 (5) |
| N4—K1—N2 | 61.81 (3) | N1—Al—N3 | 108.54 (5) |
| O1S—K1—N2i | 86.07 (2) | N4—Al—N3 | 106.74 (5) |
| N4i—K1—N2i | 61.81 (3) | N2—Al—K2 | 151.29 (4) |
| N4—K1—N2i | 122.31 (3) | N1—Al—K2 | 57.56 (4) |
| N2—K1—N2i | 172.13 (4) | N4—Al—K2 | 98.83 (4) |
| O1S—K1—C42i | 92.87 (3) | N3—Al—K2 | 57.88 (4) |
| N4i—K1—C42i | 27.65 (4) | N2—Al—K1 | 58.49 (4) |
| N4—K1—C42i | 147.19 (4) | N1—Al—K1 | 149.91 (4) |
| N2—K1—C42i | 110.37 (4) | N4—Al—K1 | 57.63 (3) |
| N2i—K1—C42i | 70.05 (4) | N3—Al—K1 | 101.48 (4) |
| O1S—K1—C42 | 92.87 (3) | K2—Al—K1 | 145.105 (13) |
| N4i—K1—C42 | 147.19 (4) | C1S—O1S—C1Si | 109.46 (18) |
| N4—K1—C42 | 27.64 (4) | C1S—O1S—K1 | 125.27 (9) |
| N2—K1—C42 | 70.05 (4) | C1Si—O1S—K1 | 125.27 (9) |
| N2i—K1—C42 | 110.37 (4) | C11—N1—C12 | 110.11 (11) |
| C42i—K1—C42 | 174.26 (7) | C11—N1—Al | 124.45 (9) |
| O1S—K1—C22i | 88.36 (3) | C12—N1—Al | 121.72 (9) |
| N4i—K1—C22i | 83.60 (4) | C11—N1—K2 | 91.07 (8) |
| N4—K1—C22i | 97.90 (4) | C12—N1—K2 | 110.00 (9) |
| N2—K1—C22i | 152.99 (3) | Al—N1—K2 | 89.18 (4) |
| N2i—K1—C22i | 26.51 (3) | C22—N2—C21 | 110.49 (11) |
| C42i—K1—C22i | 96.27 (4) | C22—N2—Al | 124.23 (9) |
| C42—K1—C22i | 83.89 (5) | C21—N2—Al | 121.43 (9) |
| O1S—K1—C22 | 88.36 (3) | C22—N2—K1 | 87.45 (8) |
| N4i—K1—C22 | 97.90 (4) | C21—N2—K1 | 113.62 (9) |
| N4—K1—C22 | 83.60 (4) | Al—N2—K1 | 89.48 (4) |
| N2—K1—C22 | 26.51 (3) | C32—N3—C31 | 109.13 (11) |
| N2i—K1—C22 | 153.00 (3) | C32—N3—Al | 123.79 (10) |
| C42i—K1—C22 | 83.89 (5) | C31—N3—Al | 118.63 (9) |
| C42—K1—C22 | 96.27 (5) | C32—N3—K2 | 124.05 (9) |
| C22i—K1—C22 | 176.73 (6) | C31—N3—K2 | 85.63 (8) |
| O1S—K1—Ali | 110.839 (12) | Al—N3—K2 | 88.67 (4) |
| N4i—K1—Ali | 32.32 (2) | C42—N4—C41 | 110.02 (12) |
| N4—K1—Ali | 121.53 (3) | C42—N4—Al | 118.47 (10) |
| N2—K1—Ali | 153.72 (2) | C41—N4—Al | 122.18 (10) |
| N2i—K1—Ali | 32.03 (2) | C42—N4—K1 | 82.91 (8) |
| C42i—K1—Ali | 50.99 (3) | C41—N4—K1 | 126.56 (9) |
| C42—K1—Ali | 126.43 (4) | Al—N4—K1 | 90.05 (4) |
| C22i—K1—Ali | 51.29 (3) | O1S—C1S—C2S | 106.52 (14) |
| C22—K1—Ali | 130.21 (3) | O1S—C1S—H1SA | 110.4 |
| O1S—K1—Al | 110.838 (12) | C2S—C1S—H1SA | 110.4 |
| N4i—K1—Al | 121.53 (3) | O1S—C1S—H1SB | 110.4 |
| N4—K1—Al | 32.32 (2) | C2S—C1S—H1SB | 110.4 |
| N2—K1—Al | 32.03 (2) | H1SA—C1S—H1SB | 108.6 |
| N2i—K1—Al | 153.72 (3) | C2Si—C2S—C1S | 106.16 (14) |
| C42i—K1—Al | 126.43 (4) | C2Si—C2S—H2SA | 110.5 |
| C42—K1—Al | 50.99 (3) | C1S—C2S—H2SA | 110.5 |
| C22i—K1—Al | 130.21 (3) | C2Si—C2S—H2SB | 110.5 |
| C22—K1—Al | 51.29 (3) | C1S—C2S—H2SB | 110.5 |
| Ali—K1—Al | 138.32 (2) | H2SA—C2S—H2SB | 108.7 |
| N1—K2—N1ii | 180.0 | N1—C11—K2 | 62.19 (7) |
| N1—K2—N3ii | 116.27 (3) | N1—C11—H11A | 109.5 |
| N1ii—K2—N3ii | 63.73 (3) | K2—C11—H11A | 71.2 |
| N1—K2—N3 | 63.73 (3) | N1—C11—H11B | 109.5 |
| N1ii—K2—N3 | 116.26 (3) | K2—C11—H11B | 170.5 |
| N3ii—K2—N3 | 179.999 (1) | H11A—C11—H11B | 109.5 |
| N1—K2—C31ii | 108.71 (3) | N1—C11—H11C | 109.5 |
| N1ii—K2—C31ii | 71.29 (3) | K2—C11—H11C | 78.6 |
| N3ii—K2—C31ii | 27.85 (3) | H11A—C11—H11C | 109.5 |
| N3—K2—C31ii | 152.15 (3) | H11B—C11—H11C | 109.5 |
| N1—K2—C31 | 71.29 (3) | N1—C12—H12A | 109.5 |
| N1ii—K2—C31 | 108.71 (3) | N1—C12—H12B | 109.5 |
| N3ii—K2—C31 | 152.15 (3) | H12A—C12—H12B | 109.5 |
| N3—K2—C31 | 27.85 (3) | N1—C12—H12C | 109.5 |
| C31ii—K2—C31 | 180.0 | H12A—C12—H12C | 109.5 |
| N1—K2—C11ii | 153.26 (3) | H12B—C12—H12C | 109.5 |
| N1ii—K2—C11ii | 26.74 (3) | N2—C21—H21A | 109.5 |
| N3ii—K2—C11ii | 85.98 (4) | N2—C21—H21B | 109.5 |
| N3—K2—C11ii | 94.02 (4) | H21A—C21—H21B | 109.5 |
| C31ii—K2—C11ii | 97.83 (4) | N2—C21—H21C | 109.5 |
| C31—K2—C11ii | 82.17 (4) | H21A—C21—H21C | 109.5 |
| N1—K2—C11 | 26.74 (3) | H21B—C21—H21C | 109.5 |
| N1ii—K2—C11 | 153.26 (3) | N2—C22—K1 | 66.04 (7) |
| N3ii—K2—C11 | 94.02 (4) | N2—C22—H22A | 109.5 |
| N3—K2—C11 | 85.98 (4) | K1—C22—H22A | 175.5 |
| C31ii—K2—C11 | 82.17 (4) | N2—C22—H22B | 109.5 |
| C31—K2—C11 | 97.83 (4) | K1—C22—H22B | 72.8 |
| C11ii—K2—C11 | 180.0 | H22A—C22—H22B | 109.5 |
| N1—K2—Alii | 146.74 (2) | N2—C22—H22C | 109.5 |
| N1ii—K2—Alii | 33.26 (2) | K1—C22—H22C | 72.9 |
| N3ii—K2—Alii | 33.45 (2) | H22A—C22—H22C | 109.5 |
| N3—K2—Alii | 146.55 (2) | H22B—C22—H22C | 109.5 |
| C31ii—K2—Alii | 52.16 (3) | N3—C31—K2 | 66.52 (7) |
| C31—K2—Alii | 127.84 (3) | N3—C31—H31A | 109.5 |
| C11ii—K2—Alii | 52.61 (3) | K2—C31—H31A | 76.0 |
| C11—K2—Alii | 127.39 (3) | N3—C31—H31B | 109.4 |
| N1—K2—Al | 33.26 (2) | K2—C31—H31B | 174.3 |
| N1ii—K2—Al | 146.74 (2) | H31A—C31—H31B | 109.5 |
| N3ii—K2—Al | 146.55 (2) | N3—C31—H31C | 109.5 |
| N3—K2—Al | 33.45 (2) | K2—C31—H31C | 69.3 |
| C31ii—K2—Al | 127.84 (3) | H31A—C31—H31C | 109.4 |
| C31—K2—Al | 52.16 (3) | H31B—C31—H31C | 109.4 |
| C11ii—K2—Al | 127.39 (3) | N3—C32—H32A | 109.5 |
| C11—K2—Al | 52.61 (3) | N3—C32—H32B | 109.5 |
| Alii—K2—Al | 180.0 | H32A—C32—H32B | 109.5 |
| N1—K2—H31A | 89.5 | N3—C32—H32C | 109.5 |
| N1ii—K2—H31A | 90.5 | H32A—C32—H32C | 109.5 |
| N3ii—K2—H31A | 140.2 | H32B—C32—H32C | 109.5 |
| N3—K2—H31A | 39.8 | N4—C41—H41A | 109.5 |
| C31ii—K2—H31A | 161.6 | N4—C41—H41B | 109.5 |
| C31—K2—H31A | 18.4 | H41A—C41—H41B | 109.5 |
| C11ii—K2—H31A | 63.8 | N4—C41—H41C | 109.5 |
| C11—K2—H31A | 116.2 | H41A—C41—H41C | 109.5 |
| Alii—K2—H31A | 110.7 | H41B—C41—H41C | 109.5 |
| Al—K2—H31A | 69.3 | N4—C42—K1 | 69.45 (7) |
| N1—K2—H31C | 61.5 | N4—C42—H42A | 109.5 |
| N1ii—K2—H31C | 118.5 | K1—C42—H42A | 174.5 |
| N3ii—K2—H31C | 139.2 | N4—C42—H42B | 109.5 |
| N3—K2—H31C | 40.8 | K1—C42—H42B | 66.5 |
| C31ii—K2—H31C | 161.6 | H42A—C42—H42B | 109.5 |
| C31—K2—H31C | 18.4 | N4—C42—H42C | 109.5 |
| C11ii—K2—H31C | 92.1 | K1—C42—H42C | 75.8 |
| C11—K2—H31C | 87.9 | H42A—C42—H42C | 109.5 |
| Alii—K2—H31C | 126.8 | H42B—C42—H42C | 109.5 |
| Al—K2—H31C | 53.2 | ||
| N1—K2—Al—N2 | −72.54 (9) | K1—Al—N2—C21 | −117.65 (12) |
| N1ii—K2—Al—N2 | 107.46 (9) | N1—Al—N2—K1 | 148.73 (4) |
| N3ii—K2—Al—N2 | −104.99 (9) | N4—Al—N2—K1 | 27.20 (5) |
| N3—K2—Al—N2 | 75.01 (9) | N3—Al—N2—K1 | −90.74 (5) |
| C31ii—K2—Al—N2 | −136.20 (9) | K2—Al—N2—K1 | −152.06 (5) |
| C31—K2—Al—N2 | 43.80 (9) | O1S—K1—N2—C22 | 94.23 (7) |
| C11ii—K2—Al—N2 | 79.62 (9) | N4i—K1—N2—C22 | −25.34 (9) |
| C11—K2—Al—N2 | −100.37 (9) | N4—K1—N2—C22 | −142.28 (9) |
| Alii—K2—Al—N2 | −90.4 (6) | N2i—K1—N2—C22 | 94.24 (8) |
| N1ii—K2—Al—N1 | 180.0 | C42i—K1—N2—C22 | 2.63 (9) |
| N3ii—K2—Al—N1 | −32.45 (6) | C42—K1—N2—C22 | −171.27 (9) |
| N3—K2—Al—N1 | 147.55 (6) | C22i—K1—N2—C22 | 172.81 (13) |
| C31ii—K2—Al—N1 | −63.66 (5) | Ali—K1—N2—C22 | −37.53 (10) |
| C31—K2—Al—N1 | 116.34 (5) | Al—K1—N2—C22 | −124.29 (9) |
| C11ii—K2—Al—N1 | 152.16 (5) | O1S—K1—N2—C21 | −17.06 (9) |
| C11—K2—Al—N1 | −27.84 (5) | N4i—K1—N2—C21 | −136.63 (9) |
| Alii—K2—Al—N1 | −17.8 (6) | N4—K1—N2—C21 | 106.44 (9) |
| N1—K2—Al—N4 | 108.17 (5) | N2i—K1—N2—C21 | −17.05 (9) |
| N1ii—K2—Al—N4 | −71.83 (5) | C42i—K1—N2—C21 | −108.66 (9) |
| N3ii—K2—Al—N4 | 75.72 (5) | C42—K1—N2—C21 | 77.44 (9) |
| N3—K2—Al—N4 | −104.28 (5) | C22i—K1—N2—C21 | 61.52 (13) |
| C31ii—K2—Al—N4 | 44.51 (5) | C22—K1—N2—C21 | −111.29 (12) |
| C31—K2—Al—N4 | −135.49 (5) | Ali—K1—N2—C21 | −148.81 (8) |
| C11ii—K2—Al—N4 | −99.67 (5) | Al—K1—N2—C21 | 124.42 (10) |
| C11—K2—Al—N4 | 80.33 (5) | O1S—K1—N2—Al | −141.47 (4) |
| Alii—K2—Al—N4 | 90.3 (6) | N4i—K1—N2—Al | 98.95 (5) |
| N1—K2—Al—N3 | −147.55 (6) | N4—K1—N2—Al | −17.98 (3) |
| N1ii—K2—Al—N3 | 32.45 (6) | N2i—K1—N2—Al | −141.47 (4) |
| N3ii—K2—Al—N3 | 179.998 (1) | C42i—K1—N2—Al | 126.92 (5) |
| C31ii—K2—Al—N3 | 148.79 (5) | C42—K1—N2—Al | −46.98 (5) |
| C31—K2—Al—N3 | −31.21 (5) | C22i—K1—N2—Al | −62.89 (10) |
| C11ii—K2—Al—N3 | 4.61 (5) | C22—K1—N2—Al | 124.29 (9) |
| C11—K2—Al—N3 | −175.39 (5) | Ali—K1—N2—Al | 86.77 (6) |
| Alii—K2—Al—N3 | −165.4 (5) | N2—Al—N3—C32 | 78.67 (12) |
| N1—K2—Al—K1 | 151.74 (5) | N1—Al—N3—C32 | −159.71 (11) |
| N1ii—K2—Al—K1 | −28.26 (5) | N4—Al—N3—C32 | −41.15 (12) |
| N3ii—K2—Al—K1 | 119.29 (4) | K2—Al—N3—C32 | −131.18 (12) |
| N3—K2—Al—K1 | −60.71 (4) | K1—Al—N3—C32 | 18.22 (11) |
| C31ii—K2—Al—K1 | 88.08 (4) | N2—Al—N3—C31 | −65.87 (11) |
| C31—K2—Al—K1 | −91.92 (4) | N1—Al—N3—C31 | 55.76 (10) |
| C11ii—K2—Al—K1 | −56.10 (4) | N4—Al—N3—C31 | 174.31 (9) |
| C11—K2—Al—K1 | 123.91 (4) | K2—Al—N3—C31 | 84.29 (10) |
| Alii—K2—Al—K1 | 133.9 (5) | K1—Al—N3—C31 | −126.31 (9) |
| O1S—K1—Al—N2 | 41.68 (4) | N2—Al—N3—K2 | −150.16 (4) |
| N4i—K1—Al—N2 | −101.64 (5) | N1—Al—N3—K2 | −28.53 (5) |
| N4—K1—Al—N2 | 149.41 (6) | N4—Al—N3—K2 | 90.02 (5) |
| N2i—K1—Al—N2 | 168.89 (6) | K1—Al—N3—K2 | 149.395 (19) |
| C42i—K1—Al—N2 | −68.66 (6) | N1—K2—N3—C32 | 150.13 (11) |
| C42—K1—Al—N2 | 117.83 (6) | N1ii—K2—N3—C32 | −29.87 (11) |
| C22i—K1—Al—N2 | 148.04 (6) | N3ii—K2—N3—C32 | 10 (12) |
| C22—K1—Al—N2 | −28.19 (5) | C31ii—K2—N3—C32 | 69.82 (13) |
| Ali—K1—Al—N2 | −138.33 (4) | C31—K2—N3—C32 | −110.18 (13) |
| O1S—K1—Al—N1 | −34.33 (7) | C11ii—K2—N3—C32 | −45.36 (11) |
| N4i—K1—Al—N1 | −177.64 (7) | C11—K2—N3—C32 | 134.65 (11) |
| N4—K1—Al—N1 | 73.41 (8) | Alii—K2—N3—C32 | −49.03 (12) |
| N2—K1—Al—N1 | −76.00 (8) | Al—K2—N3—C32 | 130.97 (12) |
| N2i—K1—Al—N1 | 92.89 (9) | N1—K2—N3—C31 | −99.69 (8) |
| C42i—K1—Al—N1 | −144.66 (8) | N1ii—K2—N3—C31 | 80.31 (8) |
| C42—K1—Al—N1 | 41.82 (8) | N3ii—K2—N3—C31 | 121 (12) |
| C22i—K1—Al—N1 | 72.04 (8) | C31ii—K2—N3—C31 | 180.0 |
| C22—K1—Al—N1 | −104.20 (8) | C11ii—K2—N3—C31 | 64.83 (8) |
| Ali—K1—Al—N1 | 145.67 (7) | C11—K2—N3—C31 | −115.17 (8) |
| O1S—K1—Al—N4 | −107.73 (4) | Alii—K2—N3—C31 | 61.15 (8) |
| N4i—K1—Al—N4 | 108.95 (6) | Al—K2—N3—C31 | −118.84 (8) |
| N2—K1—Al—N4 | −149.41 (6) | N1—K2—N3—Al | 19.16 (3) |
| N2i—K1—Al—N4 | 19.48 (7) | N1ii—K2—N3—Al | −160.84 (3) |
| C42i—K1—Al—N4 | 141.93 (6) | N3ii—K2—N3—Al | −121 (12) |
| C42—K1—Al—N4 | −31.58 (6) | C31ii—K2—N3—Al | −61.15 (8) |
| C22i—K1—Al—N4 | −1.37 (6) | C31—K2—N3—Al | 118.84 (8) |
| C22—K1—Al—N4 | −177.60 (6) | C11ii—K2—N3—Al | −176.33 (4) |
| Ali—K1—Al—N4 | 72.26 (4) | C11—K2—N3—Al | 3.67 (4) |
| O1S—K1—Al—N3 | 149.60 (3) | Alii—K2—N3—Al | 180.0 |
| N4i—K1—Al—N3 | 6.28 (4) | N2—Al—N4—C42 | 54.48 (11) |
| N4—K1—Al—N3 | −102.67 (5) | N1—Al—N4—C42 | −67.29 (11) |
| N2—K1—Al—N3 | 107.92 (6) | N3—Al—N4—C42 | 175.13 (9) |
| N2i—K1—Al—N3 | −83.18 (6) | K2—Al—N4—C42 | −125.88 (9) |
| C42i—K1—Al—N3 | 39.26 (5) | K1—Al—N4—C42 | 81.96 (10) |
| C42—K1—Al—N3 | −134.25 (6) | N2—Al—N4—C41 | −162.25 (10) |
| C22i—K1—Al—N3 | −104.04 (5) | N1—Al—N4—C41 | 75.98 (12) |
| C22—K1—Al—N3 | 79.73 (5) | N3—Al—N4—C41 | −41.60 (12) |
| Ali—K1—Al—N3 | −30.40 (3) | K2—Al—N4—C41 | 17.39 (11) |
| O1S—K1—Al—K2 | −161.489 (17) | K1—Al—N4—C41 | −134.78 (12) |
| N4i—K1—Al—K2 | 55.20 (4) | N2—Al—N4—K1 | −27.47 (5) |
| N4—K1—Al—K2 | −53.75 (4) | N1—Al—N4—K1 | −149.24 (4) |
| N2—K1—Al—K2 | 156.84 (5) | N3—Al—N4—K1 | 93.17 (5) |
| N2i—K1—Al—K2 | −34.27 (6) | K2—Al—N4—K1 | 152.17 (2) |
| C42i—K1—Al—K2 | 88.18 (4) | O1S—K1—N4—C42 | −31.94 (8) |
| C42—K1—Al—K2 | −85.34 (5) | N4i—K1—N4—C42 | 148.06 (8) |
| C22i—K1—Al—K2 | −55.12 (4) | N2—K1—N4—C42 | −100.87 (9) |
| C22—K1—Al—K2 | 128.64 (4) | N2i—K1—N4—C42 | 71.36 (9) |
| Ali—K1—Al—K2 | 18.510 (17) | C42i—K1—N4—C42 | 175.00 (6) |
| N4i—K1—O1S—C1S | 37.19 (10) | C22i—K1—N4—C42 | 60.24 (8) |
| N4—K1—O1S—C1S | −142.81 (10) | C22—K1—N4—C42 | −116.82 (9) |
| N2—K1—O1S—C1S | −87.28 (10) | Ali—K1—N4—C42 | 109.28 (8) |
| N2i—K1—O1S—C1S | 92.72 (10) | Al—K1—N4—C42 | −118.70 (10) |
| C42i—K1—O1S—C1S | 22.96 (10) | O1S—K1—N4—C41 | −141.66 (11) |
| C42—K1—O1S—C1S | −157.04 (10) | N4i—K1—N4—C41 | 38.34 (11) |
| C22i—K1—O1S—C1S | 119.16 (10) | N2—K1—N4—C41 | 149.41 (12) |
| C22—K1—O1S—C1S | −60.84 (10) | N2i—K1—N4—C41 | −38.35 (12) |
| Ali—K1—O1S—C1S | 72.02 (10) | C42i—K1—N4—C41 | 65.28 (13) |
| Al—K1—O1S—C1S | −107.98 (10) | C42—K1—N4—C41 | −109.71 (14) |
| N4i—K1—O1S—C1Si | −142.81 (10) | C22i—K1—N4—C41 | −49.47 (12) |
| N4—K1—O1S—C1Si | 37.19 (10) | C22—K1—N4—C41 | 133.46 (12) |
| N2—K1—O1S—C1Si | 92.72 (10) | Ali—K1—N4—C41 | −0.43 (12) |
| N2i—K1—O1S—C1Si | −87.28 (10) | Al—K1—N4—C41 | 131.58 (13) |
| C42i—K1—O1S—C1Si | −157.04 (10) | O1S—K1—N4—Al | 86.76 (4) |
| C42—K1—O1S—C1Si | 22.96 (10) | N4i—K1—N4—Al | −93.24 (4) |
| C22i—K1—O1S—C1Si | −60.84 (10) | N2—K1—N4—Al | 17.83 (3) |
| C22—K1—O1S—C1Si | 119.16 (10) | N2i—K1—N4—Al | −169.94 (4) |
| Ali—K1—O1S—C1Si | −107.98 (10) | C42i—K1—N4—Al | −66.30 (8) |
| Al—K1—O1S—C1Si | 72.02 (10) | C42—K1—N4—Al | 118.70 (9) |
| N2—Al—N1—C11 | −118.54 (11) | C22i—K1—N4—Al | 178.95 (4) |
| N4—Al—N1—C11 | 2.91 (13) | C22—K1—N4—Al | 1.88 (5) |
| N3—Al—N1—C11 | 119.37 (11) | Ali—K1—N4—Al | −132.01 (3) |
| K2—Al—N1—C11 | 90.73 (11) | C1Si—O1S—C1S—C2S | −7.13 (16) |
| K1—Al—N1—C11 | −56.57 (15) | K1—O1S—C1S—C2S | 172.87 (16) |
| N2—Al—N1—C12 | 37.57 (12) | O1S—C1S—C2S—C2Si | 19.0 (4) |
| N4—Al—N1—C12 | 159.02 (11) | C12—N1—C11—K2 | 111.78 (11) |
| N3—Al—N1—C12 | −84.52 (12) | Al—N1—C11—K2 | −89.74 (9) |
| K2—Al—N1—C12 | −113.16 (12) | N1ii—K2—C11—N1 | 180.0 |
| K1—Al—N1—C12 | 99.54 (12) | N3ii—K2—C11—N1 | −147.85 (8) |
| N2—Al—N1—K2 | 150.73 (4) | N3—K2—C11—N1 | 32.15 (8) |
| N4—Al—N1—K2 | −87.82 (5) | C31ii—K2—C11—N1 | −173.11 (8) |
| N3—Al—N1—K2 | 28.64 (5) | C31—K2—C11—N1 | 6.88 (8) |
| K1—Al—N1—K2 | −147.30 (5) | C11ii—K2—C11—N1 | −88 (10) |
| N1ii—K2—N1—C11 | −116 (15) | Alii—K2—C11—N1 | −145.30 (6) |
| N3ii—K2—N1—C11 | 36.29 (8) | Al—K2—C11—N1 | 34.70 (6) |
| N3—K2—N1—C11 | −143.71 (8) | C21—N2—C22—K1 | 114.31 (10) |
| C31ii—K2—N1—C11 | 7.20 (9) | Al—N2—C22—K1 | −87.64 (9) |
| C31—K2—N1—C11 | −172.80 (9) | O1S—K1—C22—N2 | −84.46 (7) |
| C11ii—K2—N1—C11 | 180.0 | N4i—K1—C22—N2 | 158.58 (7) |
| Alii—K2—N1—C11 | 55.55 (9) | N4—K1—C22—N2 | 32.87 (7) |
| Al—K2—N1—C11 | −124.45 (9) | N2i—K1—C22—N2 | −162.50 (10) |
| N1ii—K2—N1—C12 | 132 (15) | C42i—K1—C22—N2 | −177.52 (8) |
| N3ii—K2—N1—C12 | −75.59 (9) | C42—K1—C22—N2 | 8.25 (8) |
| N3—K2—N1—C12 | 104.41 (9) | C22i—K1—C22—N2 | −84.45 (7) |
| C31ii—K2—N1—C12 | −104.68 (9) | Ali—K1—C22—N2 | 159.32 (6) |
| C31—K2—N1—C12 | 75.32 (9) | Al—K1—C22—N2 | 34.16 (6) |
| C11ii—K2—N1—C12 | 68.11 (12) | C32—N3—C31—K2 | 124.60 (11) |
| C11—K2—N1—C12 | −111.88 (12) | Al—N3—C31—K2 | −86.09 (7) |
| Alii—K2—N1—C12 | −56.33 (10) | N1—K2—C31—N3 | 68.95 (7) |
| Al—K2—N1—C12 | 123.67 (10) | N1ii—K2—C31—N3 | −111.05 (7) |
| N1ii—K2—N1—Al | 8 (15) | N3ii—K2—C31—N3 | 180.0 |
| N3ii—K2—N1—Al | 160.74 (3) | C31ii—K2—C31—N3 | 167 (13) |
| N3—K2—N1—Al | −19.26 (3) | C11ii—K2—C31—N3 | −114.31 (8) |
| C31ii—K2—N1—Al | 131.65 (4) | C11—K2—C31—N3 | 65.69 (8) |
| C31—K2—N1—Al | −48.35 (4) | Alii—K2—C31—N3 | −142.31 (6) |
| C11ii—K2—N1—Al | −55.56 (9) | Al—K2—C31—N3 | 37.69 (6) |
| C11—K2—N1—Al | 124.45 (9) | C41—N4—C42—K1 | 126.41 (10) |
| Alii—K2—N1—Al | 180.0 | Al—N4—C42—K1 | −86.19 (7) |
| N1—Al—N2—C22 | −124.71 (11) | O1S—K1—C42—N4 | 151.82 (7) |
| N4—Al—N2—C22 | 113.76 (11) | N4i—K1—C42—N4 | −52.04 (12) |
| N3—Al—N2—C22 | −4.18 (12) | N2—K1—C42—N4 | 67.05 (7) |
| K2—Al—N2—C22 | −65.50 (15) | N2i—K1—C42—N4 | −121.32 (7) |
| K1—Al—N2—C22 | 86.56 (11) | C42i—K1—C42—N4 | −28.18 (8) |
| N1—Al—N2—C21 | 31.07 (12) | C22i—K1—C42—N4 | −120.14 (8) |
| N4—Al—N2—C21 | −90.46 (12) | C22—K1—C42—N4 | 63.15 (8) |
| N3—Al—N2—C21 | 151.60 (10) | Ali—K1—C42—N4 | −89.52 (8) |
| K2—Al—N2—C21 | 90.28 (13) | Al—K1—C42—N4 | 37.12 (6) |