| Literature DB >> 24860312 |
William W Brennessel1, John E Ellis1.
Abstract
The title salt, [K(C18H36N2O6)][Co(CO)4], is an example of a classical carbonyl-metalate. The asymmetric unit contains one cation and one tetrahedral anion, both in general positions. Based on comparison of the four carbonyl C-O bond lengths and C-Co-C angles, the anion is unperturbed by the cation, which is normal for an alkali metal fully encased by a cryptand cage.Entities:
Year: 2014 PMID: 24860312 PMCID: PMC4011216 DOI: 10.1107/S1600536814006758
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [K(C18H36N2O6)][Co(CO)4] | |
| Monoclinic, | Mo |
| Cell parameters from 3996 reflections | |
| θ = 2.3–24.6° | |
| µ = 0.80 mm−1 | |
| β = 91.536 (4)° | |
| Block, colorless | |
| 0.30 × 0.19 × 0.14 mm |
| Bruker SMART CCD platform diffractometer | 3551 reflections with |
| Radiation source: normal-focus sealed tube | |
| ω scans | θmax = 25.1°, θmin = 1.6° |
| Absorption correction: multi-scan ( | |
| 14351 measured reflections | |
| 5046 independent 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 | |
| 5046 reflections | (Δ/σ)max < 0.001 |
| 325 parameters | Δρmax = 0.39 e Å−3 |
| 0 restraints | Δρmin = −0.23 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. |
| Co1 | 0.03175 (4) | 0.80932 (3) | 0.38562 (2) | 0.03777 (12) | |
| C1 | 0.1014 (3) | 0.8470 (2) | 0.44858 (12) | 0.0452 (7) | |
| O1 | 0.1456 (3) | 0.8706 (2) | 0.48980 (8) | 0.0653 (6) | |
| C2 | −0.1456 (4) | 0.8597 (3) | 0.37998 (11) | 0.0489 (8) | |
| O2 | −0.2606 (3) | 0.8925 (2) | 0.37675 (10) | 0.0736 (7) | |
| C3 | 0.0336 (3) | 0.6631 (3) | 0.38061 (11) | 0.0462 (7) | |
| O3 | 0.0358 (2) | 0.56731 (19) | 0.37816 (9) | 0.0651 (6) | |
| C4 | 0.1381 (3) | 0.8663 (2) | 0.33608 (11) | 0.0436 (7) | |
| O4 | 0.2078 (3) | 0.90302 (17) | 0.30383 (8) | 0.0627 (6) | |
| K1 | 0.37979 (6) | 0.39030 (5) | 0.37685 (2) | 0.03466 (15) | |
| N1 | 0.2667 (2) | 0.17944 (18) | 0.42354 (9) | 0.0408 (6) | |
| C5 | 0.2462 (3) | 0.1981 (2) | 0.48042 (11) | 0.0488 (8) | |
| H5A | 0.3399 | 0.1921 | 0.4992 | 0.059* | |
| H5B | 0.1837 | 0.1387 | 0.4940 | 0.059* | |
| C6 | 0.1812 (3) | 0.3093 (3) | 0.49271 (11) | 0.0520 (8) | |
| H6A | 0.0928 | 0.3201 | 0.4710 | 0.062* | |
| H6B | 0.1558 | 0.3120 | 0.5303 | 0.062* | |
| O5 | 0.28056 (19) | 0.39546 (15) | 0.48182 (7) | 0.0399 (5) | |
| C7 | 0.2248 (3) | 0.5016 (2) | 0.49582 (11) | 0.0482 (8) | |
| H7A | 0.2008 | 0.5019 | 0.5336 | 0.058* | |
| H7B | 0.1364 | 0.5170 | 0.4748 | 0.058* | |
| C8 | 0.3322 (3) | 0.5887 (2) | 0.48574 (11) | 0.0504 (8) | |
| H8A | 0.2952 | 0.6621 | 0.4965 | 0.060* | |
| H8B | 0.4208 | 0.5733 | 0.5067 | 0.060* | |
| O6 | 0.3626 (2) | 0.58999 (15) | 0.43112 (7) | 0.0438 (5) | |
| C9 | 0.4473 (3) | 0.6823 (2) | 0.41678 (12) | 0.0512 (8) | |
| H9A | 0.5469 | 0.6716 | 0.4299 | 0.061* | |
| H9B | 0.4096 | 0.7511 | 0.4328 | 0.061* | |
| C10 | 0.4439 (3) | 0.6927 (2) | 0.35785 (12) | 0.0535 (8) | |
| H10A | 0.3437 | 0.7042 | 0.3456 | 0.064* | |
| H10B | 0.4988 | 0.7597 | 0.3481 | 0.064* | |
| C11 | 0.1280 (3) | 0.1528 (2) | 0.39757 (12) | 0.0481 (8) | |
| H11A | 0.0532 | 0.2005 | 0.4126 | 0.058* | |
| H11B | 0.1034 | 0.0745 | 0.4052 | 0.058* | |
| C12 | 0.1278 (3) | 0.1691 (2) | 0.33879 (12) | 0.0492 (8) | |
| H12A | 0.2091 | 0.1285 | 0.3237 | 0.059* | |
| H12B | 0.0383 | 0.1392 | 0.3227 | 0.059* | |
| O7 | 0.13939 (19) | 0.28435 (15) | 0.32733 (7) | 0.0396 (5) | |
| C13 | 0.1274 (3) | 0.3049 (3) | 0.27216 (10) | 0.0480 (8) | |
| H13A | 0.0340 | 0.2776 | 0.2582 | 0.058* | |
| H13B | 0.2040 | 0.2650 | 0.2537 | 0.058* | |
| C14 | 0.1397 (3) | 0.4268 (3) | 0.26271 (11) | 0.0461 (7) | |
| H14A | 0.1179 | 0.4437 | 0.2251 | 0.055* | |
| H14B | 0.0707 | 0.4674 | 0.2845 | 0.055* | |
| O8 | 0.28281 (19) | 0.46132 (16) | 0.27640 (7) | 0.0458 (5) | |
| C15 | 0.3056 (3) | 0.5738 (3) | 0.26203 (12) | 0.0610 (9) | |
| H15A | 0.2431 | 0.6231 | 0.2825 | 0.073* | |
| H15B | 0.2822 | 0.5843 | 0.2241 | 0.073* | |
| C16 | 0.4602 (3) | 0.6026 (3) | 0.27332 (12) | 0.0619 (9) | |
| H16A | 0.5212 | 0.5508 | 0.2535 | 0.074* | |
| H16B | 0.4786 | 0.6787 | 0.2603 | 0.074* | |
| C17 | 0.3671 (3) | 0.0864 (2) | 0.41663 (13) | 0.0509 (8) | |
| H17A | 0.3546 | 0.0569 | 0.3804 | 0.061* | |
| H17B | 0.3429 | 0.0261 | 0.4414 | 0.061* | |
| C18 | 0.5219 (3) | 0.1185 (3) | 0.42583 (12) | 0.0507 (8) | |
| H18A | 0.5350 | 0.1519 | 0.4613 | 0.061* | |
| H18B | 0.5831 | 0.0515 | 0.4241 | 0.061* | |
| O9 | 0.56202 (19) | 0.19592 (16) | 0.38686 (7) | 0.0466 (5) | |
| C19 | 0.7118 (3) | 0.2156 (2) | 0.38849 (11) | 0.0473 (8) | |
| H19A | 0.7635 | 0.1451 | 0.3823 | 0.057* | |
| H19B | 0.7417 | 0.2442 | 0.4237 | 0.057* | |
| C20 | 0.7477 (3) | 0.2982 (2) | 0.34723 (11) | 0.0471 (8) | |
| H20A | 0.8527 | 0.3074 | 0.3461 | 0.056* | |
| H20B | 0.7129 | 0.2716 | 0.3123 | 0.056* | |
| O10 | 0.68266 (18) | 0.40194 (15) | 0.35896 (7) | 0.0404 (5) | |
| C21 | 0.7229 (3) | 0.4842 (2) | 0.32179 (11) | 0.0504 (8) | |
| H21A | 0.6887 | 0.4625 | 0.2860 | 0.060* | |
| H21B | 0.8284 | 0.4905 | 0.3216 | 0.060* | |
| C22 | 0.6590 (3) | 0.5936 (2) | 0.33652 (12) | 0.0472 (7) | |
| H22A | 0.6855 | 0.6102 | 0.3738 | 0.057* | |
| H22B | 0.7005 | 0.6526 | 0.3144 | 0.057* | |
| N2 | 0.5018 (2) | 0.5968 (2) | 0.33005 (9) | 0.0432 (6) |
| Co1 | 0.0357 (2) | 0.0434 (2) | 0.0341 (2) | −0.00146 (18) | 0.00036 (16) | 0.00340 (17) |
| C1 | 0.0456 (19) | 0.0426 (17) | 0.0476 (18) | −0.0042 (14) | 0.0054 (15) | 0.0106 (14) |
| O1 | 0.0779 (17) | 0.0789 (17) | 0.0382 (12) | −0.0091 (13) | −0.0153 (11) | 0.0002 (11) |
| C2 | 0.053 (2) | 0.0490 (18) | 0.0451 (17) | −0.0006 (16) | 0.0038 (16) | −0.0033 (14) |
| O2 | 0.0462 (15) | 0.0820 (19) | 0.0924 (18) | 0.0188 (13) | −0.0037 (13) | −0.0085 (14) |
| C3 | 0.0390 (18) | 0.061 (2) | 0.0384 (16) | −0.0029 (15) | −0.0038 (13) | −0.0001 (15) |
| O3 | 0.0783 (17) | 0.0451 (14) | 0.0711 (15) | −0.0066 (12) | −0.0143 (13) | −0.0077 (12) |
| C4 | 0.0494 (19) | 0.0424 (17) | 0.0386 (16) | 0.0051 (14) | −0.0055 (14) | 0.0010 (14) |
| O4 | 0.0755 (16) | 0.0628 (15) | 0.0510 (13) | −0.0019 (12) | 0.0223 (12) | 0.0182 (11) |
| K1 | 0.0300 (3) | 0.0400 (3) | 0.0340 (3) | −0.0031 (3) | 0.0000 (2) | −0.0008 (3) |
| N1 | 0.0344 (13) | 0.0383 (13) | 0.0495 (14) | −0.0043 (11) | 0.0000 (11) | 0.0027 (11) |
| C5 | 0.0470 (19) | 0.054 (2) | 0.0457 (16) | −0.0079 (15) | 0.0046 (14) | 0.0111 (15) |
| C6 | 0.049 (2) | 0.064 (2) | 0.0440 (17) | −0.0022 (17) | 0.0151 (15) | 0.0043 (16) |
| O5 | 0.0345 (11) | 0.0454 (12) | 0.0400 (10) | 0.0021 (9) | 0.0076 (8) | 0.0007 (9) |
| C7 | 0.0464 (19) | 0.059 (2) | 0.0395 (16) | 0.0137 (16) | 0.0123 (14) | −0.0012 (15) |
| C8 | 0.061 (2) | 0.0461 (18) | 0.0443 (17) | 0.0148 (16) | 0.0032 (15) | −0.0119 (14) |
| O6 | 0.0429 (12) | 0.0415 (11) | 0.0472 (11) | −0.0025 (9) | 0.0035 (9) | −0.0040 (9) |
| C9 | 0.0429 (18) | 0.0385 (17) | 0.072 (2) | −0.0015 (14) | 0.0036 (16) | −0.0074 (16) |
| C10 | 0.0372 (18) | 0.0449 (18) | 0.078 (2) | −0.0054 (15) | 0.0016 (16) | 0.0192 (17) |
| C11 | 0.0353 (18) | 0.0441 (17) | 0.065 (2) | −0.0064 (14) | −0.0034 (15) | 0.0063 (15) |
| C12 | 0.0429 (19) | 0.0422 (19) | 0.0618 (19) | −0.0042 (14) | −0.0080 (15) | −0.0065 (15) |
| O7 | 0.0400 (11) | 0.0412 (11) | 0.0373 (10) | −0.0036 (9) | −0.0043 (8) | −0.0040 (8) |
| C13 | 0.0459 (19) | 0.061 (2) | 0.0364 (15) | −0.0009 (15) | −0.0063 (13) | −0.0111 (15) |
| C14 | 0.0403 (18) | 0.063 (2) | 0.0344 (15) | −0.0039 (15) | −0.0097 (13) | −0.0002 (14) |
| O8 | 0.0368 (12) | 0.0596 (13) | 0.0406 (11) | −0.0091 (9) | −0.0085 (9) | 0.0089 (10) |
| C15 | 0.053 (2) | 0.074 (2) | 0.0551 (19) | −0.0184 (18) | −0.0204 (16) | 0.0281 (17) |
| C16 | 0.053 (2) | 0.079 (2) | 0.0531 (19) | −0.0237 (18) | −0.0061 (16) | 0.0281 (18) |
| C17 | 0.049 (2) | 0.0367 (17) | 0.067 (2) | −0.0009 (14) | −0.0008 (16) | 0.0014 (15) |
| C18 | 0.0392 (18) | 0.0495 (19) | 0.0630 (19) | 0.0065 (15) | −0.0036 (15) | 0.0050 (16) |
| O9 | 0.0327 (12) | 0.0509 (12) | 0.0559 (12) | 0.0042 (9) | −0.0032 (9) | 0.0025 (10) |
| C19 | 0.0298 (16) | 0.057 (2) | 0.0546 (18) | 0.0092 (14) | −0.0013 (14) | −0.0140 (15) |
| C20 | 0.0313 (16) | 0.061 (2) | 0.0489 (17) | 0.0050 (14) | 0.0073 (13) | −0.0147 (15) |
| O10 | 0.0291 (10) | 0.0511 (12) | 0.0413 (10) | 0.0019 (9) | 0.0092 (8) | −0.0063 (9) |
| C21 | 0.0365 (17) | 0.065 (2) | 0.0501 (18) | −0.0096 (15) | 0.0127 (14) | −0.0038 (16) |
| C22 | 0.0329 (17) | 0.057 (2) | 0.0522 (17) | −0.0137 (14) | 0.0038 (14) | 0.0079 (15) |
| N2 | 0.0323 (13) | 0.0560 (16) | 0.0413 (13) | −0.0086 (12) | −0.0004 (11) | 0.0091 (12) |
| Co1—C4 | 1.762 (3) | C11—H11A | 0.9900 |
| Co1—C3 | 1.763 (4) | C11—H11B | 0.9900 |
| Co1—C1 | 1.767 (3) | C12—O7 | 1.420 (3) |
| Co1—C2 | 1.770 (4) | C12—H12A | 0.9900 |
| C1—O1 | 1.149 (3) | C12—H12B | 0.9900 |
| C2—O2 | 1.147 (3) | O7—C13 | 1.422 (3) |
| C3—O3 | 1.153 (4) | C13—C14 | 1.490 (4) |
| C4—O4 | 1.148 (3) | C13—H13A | 0.9900 |
| K1—O6 | 2.7741 (19) | C13—H13B | 0.9900 |
| K1—O8 | 2.8137 (18) | C14—O8 | 1.436 (3) |
| K1—O5 | 2.8433 (18) | C14—H14A | 0.9900 |
| K1—O7 | 2.8481 (19) | C14—H14B | 0.9900 |
| K1—O10 | 2.8866 (19) | O8—C15 | 1.418 (3) |
| K1—O9 | 2.900 (2) | C15—C16 | 1.508 (4) |
| K1—N2 | 2.991 (2) | C15—H15A | 0.9900 |
| K1—N1 | 3.003 (2) | C15—H15B | 0.9900 |
| N1—C17 | 1.474 (4) | C16—N2 | 1.482 (4) |
| N1—C11 | 1.475 (3) | C16—H16A | 0.9900 |
| N1—C5 | 1.477 (3) | C16—H16B | 0.9900 |
| C5—C6 | 1.505 (4) | C17—C18 | 1.512 (4) |
| C5—H5A | 0.9900 | C17—H17A | 0.9900 |
| C5—H5B | 0.9900 | C17—H17B | 0.9900 |
| C6—O5 | 1.424 (3) | C18—O9 | 1.416 (3) |
| C6—H6A | 0.9900 | C18—H18A | 0.9900 |
| C6—H6B | 0.9900 | C18—H18B | 0.9900 |
| O5—C7 | 1.427 (3) | O9—C19 | 1.421 (3) |
| C7—C8 | 1.478 (4) | C19—C20 | 1.488 (4) |
| C7—H7A | 0.9900 | C19—H19A | 0.9900 |
| C7—H7B | 0.9900 | C19—H19B | 0.9900 |
| C8—O6 | 1.421 (3) | C20—O10 | 1.423 (3) |
| C8—H8A | 0.9900 | C20—H20A | 0.9900 |
| C8—H8B | 0.9900 | C20—H20B | 0.9900 |
| O6—C9 | 1.417 (3) | O10—C21 | 1.424 (3) |
| C9—C10 | 1.499 (4) | C21—C22 | 1.497 (4) |
| C9—H9A | 0.9900 | C21—H21A | 0.9900 |
| C9—H9B | 0.9900 | C21—H21B | 0.9900 |
| C10—N2 | 1.464 (4) | C22—N2 | 1.477 (3) |
| C10—H10A | 0.9900 | C22—H22A | 0.9900 |
| C10—H10B | 0.9900 | C22—H22B | 0.9900 |
| C11—C12 | 1.503 (4) | ||
| C4—Co1—C3 | 109.24 (13) | C12—C11—H11A | 109.0 |
| C4—Co1—C1 | 110.01 (13) | N1—C11—H11B | 109.0 |
| C3—Co1—C1 | 108.48 (13) | C12—C11—H11B | 109.0 |
| C4—Co1—C2 | 110.86 (13) | H11A—C11—H11B | 107.8 |
| C3—Co1—C2 | 110.27 (14) | O7—C12—C11 | 109.4 (2) |
| C1—Co1—C2 | 107.94 (13) | O7—C12—H12A | 109.8 |
| O1—C1—Co1 | 179.1 (3) | C11—C12—H12A | 109.8 |
| O2—C2—Co1 | 179.4 (3) | O7—C12—H12B | 109.8 |
| O3—C3—Co1 | 178.9 (3) | C11—C12—H12B | 109.8 |
| O4—C4—Co1 | 179.7 (3) | H12A—C12—H12B | 108.2 |
| O6—K1—O8 | 99.49 (6) | C12—O7—C13 | 111.5 (2) |
| O6—K1—O5 | 59.46 (5) | C12—O7—K1 | 114.18 (15) |
| O8—K1—O5 | 137.33 (6) | C13—O7—K1 | 113.37 (15) |
| O6—K1—O7 | 123.37 (6) | O7—C13—C14 | 109.0 (2) |
| O8—K1—O7 | 60.31 (5) | O7—C13—H13A | 109.9 |
| O5—K1—O7 | 98.53 (5) | C14—C13—H13A | 109.9 |
| O6—K1—O10 | 96.11 (5) | O7—C13—H13B | 109.9 |
| O8—K1—O10 | 97.90 (5) | C14—C13—H13B | 109.9 |
| O5—K1—O10 | 119.53 (5) | H13A—C13—H13B | 108.3 |
| O7—K1—O10 | 136.07 (5) | O8—C14—C13 | 108.8 (2) |
| O6—K1—O9 | 134.08 (6) | O8—C14—H14A | 109.9 |
| O8—K1—O9 | 119.90 (6) | C13—C14—H14A | 109.9 |
| O5—K1—O9 | 98.15 (5) | O8—C14—H14B | 109.9 |
| O7—K1—O9 | 97.71 (6) | C13—C14—H14B | 109.9 |
| O10—K1—O9 | 58.33 (5) | H14A—C14—H14B | 108.3 |
| O6—K1—N2 | 60.43 (6) | C15—O8—C14 | 111.1 (2) |
| O8—K1—N2 | 60.42 (6) | C15—O8—K1 | 118.35 (16) |
| O5—K1—N2 | 119.41 (6) | C14—O8—K1 | 114.04 (14) |
| O7—K1—N2 | 120.12 (6) | O8—C15—C16 | 108.7 (3) |
| O10—K1—N2 | 60.68 (6) | O8—C15—H15A | 110.0 |
| O9—K1—N2 | 118.26 (6) | C16—C15—H15A | 110.0 |
| O6—K1—N1 | 120.61 (6) | O8—C15—H15B | 110.0 |
| O8—K1—N1 | 120.30 (6) | C16—C15—H15B | 110.0 |
| O5—K1—N1 | 61.43 (6) | H15A—C15—H15B | 108.3 |
| O7—K1—N1 | 60.89 (6) | N2—C16—C15 | 113.5 (2) |
| O10—K1—N1 | 117.46 (6) | N2—C16—H16A | 108.9 |
| O9—K1—N1 | 59.87 (6) | C15—C16—H16A | 108.9 |
| N2—K1—N1 | 178.13 (7) | N2—C16—H16B | 108.9 |
| C17—N1—C11 | 109.8 (2) | C15—C16—H16B | 108.9 |
| C17—N1—C5 | 109.3 (2) | H16A—C16—H16B | 107.7 |
| C11—N1—C5 | 109.4 (2) | N1—C17—C18 | 113.5 (2) |
| C17—N1—K1 | 111.16 (16) | N1—C17—H17A | 108.9 |
| C11—N1—K1 | 108.83 (16) | C18—C17—H17A | 108.9 |
| C5—N1—K1 | 108.26 (16) | N1—C17—H17B | 108.9 |
| N1—C5—C6 | 113.6 (2) | C18—C17—H17B | 108.9 |
| N1—C5—H5A | 108.8 | H17A—C17—H17B | 107.7 |
| C6—C5—H5A | 108.8 | O9—C18—C17 | 109.3 (2) |
| N1—C5—H5B | 108.8 | O9—C18—H18A | 109.8 |
| C6—C5—H5B | 108.8 | C17—C18—H18A | 109.8 |
| H5A—C5—H5B | 107.7 | O9—C18—H18B | 109.8 |
| O5—C6—C5 | 109.7 (2) | C17—C18—H18B | 109.8 |
| O5—C6—H6A | 109.7 | H18A—C18—H18B | 108.3 |
| C5—C6—H6A | 109.7 | C18—O9—C19 | 111.7 (2) |
| O5—C6—H6B | 109.7 | C18—O9—K1 | 115.11 (15) |
| C5—C6—H6B | 109.7 | C19—O9—K1 | 116.48 (16) |
| H6A—C6—H6B | 108.2 | O9—C19—C20 | 109.4 (2) |
| C6—O5—C7 | 110.9 (2) | O9—C19—H19A | 109.8 |
| C6—O5—K1 | 113.40 (15) | C20—C19—H19A | 109.8 |
| C7—O5—K1 | 112.52 (14) | O9—C19—H19B | 109.8 |
| O5—C7—C8 | 109.6 (2) | C20—C19—H19B | 109.8 |
| O5—C7—H7A | 109.8 | H19A—C19—H19B | 108.2 |
| C8—C7—H7A | 109.8 | O10—C20—C19 | 109.4 (2) |
| O5—C7—H7B | 109.8 | O10—C20—H20A | 109.8 |
| C8—C7—H7B | 109.8 | C19—C20—H20A | 109.8 |
| H7A—C7—H7B | 108.2 | O10—C20—H20B | 109.8 |
| O6—C8—C7 | 109.3 (2) | C19—C20—H20B | 109.8 |
| O6—C8—H8A | 109.8 | H20A—C20—H20B | 108.2 |
| C7—C8—H8A | 109.8 | C20—O10—C21 | 110.4 (2) |
| O6—C8—H8B | 109.8 | C20—O10—K1 | 114.71 (15) |
| C7—C8—H8B | 109.8 | C21—O10—K1 | 114.61 (15) |
| H8A—C8—H8B | 108.3 | O10—C21—C22 | 109.3 (2) |
| C9—O6—C8 | 112.7 (2) | O10—C21—H21A | 109.8 |
| C9—O6—K1 | 120.67 (15) | C22—C21—H21A | 109.8 |
| C8—O6—K1 | 119.31 (16) | O10—C21—H21B | 109.8 |
| O6—C9—C10 | 108.9 (2) | C22—C21—H21B | 109.8 |
| O6—C9—H9A | 109.9 | H21A—C21—H21B | 108.3 |
| C10—C9—H9A | 109.9 | N2—C22—C21 | 113.5 (2) |
| O6—C9—H9B | 109.9 | N2—C22—H22A | 108.9 |
| C10—C9—H9B | 109.9 | C21—C22—H22A | 108.9 |
| H9A—C9—H9B | 108.3 | N2—C22—H22B | 108.9 |
| N2—C10—C9 | 114.6 (2) | C21—C22—H22B | 108.9 |
| N2—C10—H10A | 108.6 | H22A—C22—H22B | 107.7 |
| C9—C10—H10A | 108.6 | C10—N2—C22 | 110.3 (2) |
| N2—C10—H10B | 108.6 | C10—N2—C16 | 109.9 (2) |
| C9—C10—H10B | 108.6 | C22—N2—C16 | 110.1 (2) |
| H10A—C10—H10B | 107.6 | C10—N2—K1 | 108.21 (15) |
| N1—C11—C12 | 113.0 (2) | C22—N2—K1 | 108.94 (16) |
| N1—C11—H11A | 109.0 | C16—N2—K1 | 109.33 (17) |
| C17—N1—C5—C6 | 163.4 (2) | K1—O8—C15—C16 | 49.7 (3) |
| C11—N1—C5—C6 | −76.4 (3) | O8—C15—C16—N2 | −63.7 (4) |
| K1—N1—C5—C6 | 42.1 (3) | C11—N1—C17—C18 | 161.4 (2) |
| N1—C5—C6—O5 | −68.5 (3) | C5—N1—C17—C18 | −78.5 (3) |
| C5—C6—O5—C7 | −176.8 (2) | K1—N1—C17—C18 | 41.0 (3) |
| C5—C6—O5—K1 | 55.4 (3) | N1—C17—C18—O9 | −65.0 (3) |
| C6—O5—C7—C8 | 178.1 (2) | C17—C18—O9—C19 | −170.7 (2) |
| K1—O5—C7—C8 | −53.7 (3) | C17—C18—O9—K1 | 53.5 (3) |
| O5—C7—C8—O6 | 61.3 (3) | C18—O9—C19—C20 | −179.4 (2) |
| C7—C8—O6—C9 | 170.6 (2) | K1—O9—C19—C20 | −44.3 (3) |
| C7—C8—O6—K1 | −38.9 (3) | O9—C19—C20—O10 | 64.3 (3) |
| C8—O6—C9—C10 | −166.3 (2) | C19—C20—O10—C21 | 176.4 (2) |
| K1—O6—C9—C10 | 43.8 (3) | C19—C20—O10—K1 | −52.4 (3) |
| O6—C9—C10—N2 | −61.4 (3) | C20—O10—C21—C22 | −177.2 (2) |
| C17—N1—C11—C12 | −78.8 (3) | K1—O10—C21—C22 | 51.4 (3) |
| C5—N1—C11—C12 | 161.2 (2) | O10—C21—C22—N2 | −68.2 (3) |
| K1—N1—C11—C12 | 43.0 (3) | C9—C10—N2—C22 | −72.8 (3) |
| N1—C11—C12—O7 | −68.3 (3) | C9—C10—N2—C16 | 165.6 (2) |
| C11—C12—O7—C13 | −175.0 (2) | C9—C10—N2—K1 | 46.3 (3) |
| C11—C12—O7—K1 | 54.9 (3) | C21—C22—N2—C10 | 164.9 (2) |
| C12—O7—C13—C14 | 179.8 (2) | C21—C22—N2—C16 | −73.7 (3) |
| K1—O7—C13—C14 | −49.7 (3) | C21—C22—N2—K1 | 46.2 (3) |
| O7—C13—C14—O8 | 67.6 (3) | C15—C16—N2—C10 | −74.6 (3) |
| C13—C14—O8—C15 | 172.7 (2) | C15—C16—N2—C22 | 163.7 (3) |
| C13—C14—O8—K1 | −50.5 (2) | C15—C16—N2—K1 | 44.1 (3) |
| C14—O8—C15—C16 | −175.5 (2) |
Selected bond lengths (Å)
| Co1—C4 | 1.762 (3) |
| Co1—C3 | 1.763 (4) |
| Co1—C1 | 1.767 (3) |
| Co1—C2 | 1.770 (4) |