| Literature DB >> 24526959 |
Haiyan He1, Wilhelm Klein1, Thomas F Fässler1.
Abstract
The asymmetric unit of the title compound, [K(C12H24O6)(C4H8O)2][Co(C14H10)2]·C4H8O, consists of one cationic potassium complex, one anionic cobalt dianthracene complex and one tetra-hydro-furan solvent mol-ecule. The potassium cation is situated at the centre of an 18-crown-6 mol-ecule and between two tetra-hydro-furan mol-ecules, the latter coordin-ating above and below the mean plane formed by the O atoms of the crown ether mol-ecule. The Co atom is coordinated by eight C atoms of two anthracene mol-ecules in an η(4) manner. The third free tetra-hydro-furan mol-ecule shows orientational disorder on two partially occupied positions [occupancy ratio 0.561 (8):0.439 (8)].Entities:
Year: 2013 PMID: 24526959 PMCID: PMC3914043 DOI: 10.1107/S1600536813032510
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [K(C12H24O6)(C4H8O)2][Co(C14H10)2]·C4H8O | |
| Orthorhombic, | Mo |
| Hall symbol: P 2ac 2ab | Cell parameters from 8368 reflections |
| θ = 3.0–37.0° | |
| µ = 0.50 mm−1 | |
| Plate, brown-black | |
| 0.6 × 0.3 × 0.05 mm |
| Oxford Diffraction Xcalibur 3 diffractometer | 9364 independent reflections |
| Radiation source: Enhance (Mo) X-ray Source | 4717 reflections with |
| Graphite monochromator | |
| Detector resolution: 16.0238 pixels mm-1 | θmax = 26.0°, θmin = 3.0° |
| ω and φ scans | |
| Absorption correction: multi-scan ( | |
| 62002 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H-atom parameters constrained | |
| (Δ/σ)max = 0.001 | |
| 9364 reflections | Δρmax = 0.96 e Å−3 |
| 604 parameters | Δρmin = −0.37 e Å−3 |
| 0 restraints | Absolute structure: Flack (1983), 4164 Friedel pairs |
| Primary atom site location: structure-invariant direct methods | Absolute structure parameter: −0.005 (14) |
| Experimental. Absorption correction: CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET) (compiled Feb 27 2009,15:38:38) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. |
| 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 |
| Occ. (<1) | |||||
| Co1 | 0.53937 (4) | 0.06723 (4) | 0.164895 (18) | 0.03905 (16) | |
| C1 | 0.4723 (3) | −0.0533 (3) | 0.20524 (12) | 0.0363 (10) | |
| H1A | 0.4912 | −0.0612 | 0.2395 | 0.044* | |
| C2 | 0.4052 (3) | 0.0236 (3) | 0.19268 (15) | 0.0414 (11) | |
| H2A | 0.3696 | 0.0632 | 0.2175 | 0.050* | |
| C3 | 0.3975 (3) | 0.0471 (3) | 0.14262 (14) | 0.0406 (11) | |
| H3A | 0.3554 | 0.1030 | 0.1310 | 0.049* | |
| C4 | 0.4585 (3) | −0.0103 (3) | 0.11044 (13) | 0.0340 (10) | |
| H4A | 0.4654 | 0.0129 | 0.0768 | 0.041* | |
| C5 | 0.4841 (3) | −0.1143 (3) | 0.12119 (13) | 0.0312 (10) | |
| C6 | 0.4895 (3) | −0.1372 (3) | 0.17228 (13) | 0.0317 (10) | |
| C7 | 0.5148 (3) | −0.2325 (3) | 0.18608 (13) | 0.0357 (11) | |
| H7A | 0.5188 | −0.2475 | 0.2191 | 0.043* | |
| C8 | 0.5034 (3) | −0.1878 (3) | 0.08783 (13) | 0.0328 (11) | |
| H8A | 0.4992 | −0.1723 | 0.0549 | 0.039* | |
| C9 | 0.5291 (3) | −0.2855 (3) | 0.10141 (14) | 0.0347 (10) | |
| C10 | 0.5349 (3) | −0.3083 (3) | 0.15194 (14) | 0.0353 (10) | |
| C11 | 0.5544 (3) | −0.4078 (3) | 0.16562 (16) | 0.0463 (11) | |
| H11 | 0.5552 | −0.4243 | 0.1985 | 0.056* | |
| C12 | 0.5723 (3) | −0.4807 (3) | 0.13190 (18) | 0.0546 (13) | |
| H12A | 0.5846 | −0.5463 | 0.1417 | 0.066* | |
| C13 | 0.5719 (3) | −0.4563 (4) | 0.08267 (18) | 0.0560 (14) | |
| H13A | 0.5872 | −0.5054 | 0.0598 | 0.067* | |
| C14 | 0.5495 (3) | −0.3612 (3) | 0.06738 (15) | 0.0433 (11) | |
| H14A | 0.5478 | −0.3467 | 0.0343 | 0.052* | |
| C15 | 0.7000 (3) | 0.0552 (3) | 0.16042 (13) | 0.0359 (10) | |
| H15A | 0.7317 | −0.0100 | 0.1670 | 0.043* | |
| C16 | 0.6616 (3) | 0.1113 (4) | 0.20014 (14) | 0.0471 (13) | |
| H16A | 0.6741 | 0.0902 | 0.2338 | 0.056* | |
| C17 | 0.6016 (3) | 0.1934 (4) | 0.18996 (17) | 0.0517 (13) | |
| H17A | 0.5691 | 0.2330 | 0.2157 | 0.062* | |
| C18 | 0.5812 (3) | 0.2105 (3) | 0.14003 (16) | 0.0434 (12) | |
| H18A | 0.5263 | 0.2575 | 0.1316 | 0.052* | |
| C19 | 0.6563 (3) | 0.1875 (3) | 0.10353 (14) | 0.0324 (11) | |
| C20 | 0.7222 (3) | 0.1040 (3) | 0.11462 (13) | 0.0308 (10) | |
| C21 | 0.7949 (3) | 0.0757 (3) | 0.08149 (13) | 0.0300 (10) | |
| H21A | 0.8382 | 0.0225 | 0.0890 | 0.036* | |
| C22 | 0.6683 (3) | 0.2359 (3) | 0.05967 (15) | 0.0375 (11) | |
| H22A | 0.6258 | 0.2897 | 0.0524 | 0.045* | |
| C23 | 0.7429 (3) | 0.2064 (3) | 0.02550 (14) | 0.0311 (11) | |
| C24 | 0.8064 (3) | 0.1245 (3) | 0.03617 (14) | 0.0294 (10) | |
| C25 | 0.8818 (3) | 0.0975 (3) | 0.00161 (14) | 0.0383 (11) | |
| H25A | 0.9247 | 0.0435 | 0.0081 | 0.046* | |
| C26 | 0.8929 (4) | 0.1485 (4) | −0.04079 (15) | 0.0486 (13) | |
| H26A | 0.9419 | 0.1279 | −0.0632 | 0.058* | |
| C27 | 0.8327 (4) | 0.2301 (4) | −0.05085 (16) | 0.0530 (14) | |
| H27A | 0.8427 | 0.2661 | −0.0794 | 0.064* | |
| C28 | 0.7575 (4) | 0.2585 (3) | −0.01869 (15) | 0.0463 (12) | |
| H28 | 0.7156 | 0.3128 | −0.0261 | 0.056* | |
| K1 | 0.03957 (7) | 0.53903 (6) | 0.14969 (3) | 0.0335 (2) | |
| O1 | −0.12066 (19) | 0.4278 (2) | 0.18781 (8) | 0.0373 (7) | |
| O2 | −0.0500 (2) | 0.59109 (19) | 0.24092 (9) | 0.0443 (7) | |
| O3 | 0.1468 (2) | 0.6590 (2) | 0.21494 (9) | 0.0417 (8) | |
| O4 | 0.2056 (2) | 0.6488 (2) | 0.11633 (9) | 0.0398 (7) | |
| O5 | 0.1262 (2) | 0.49597 (19) | 0.05842 (8) | 0.0378 (7) | |
| O6 | −0.0561 (2) | 0.40644 (18) | 0.08827 (9) | 0.0394 (7) | |
| C29 | −0.1834 (3) | 0.4796 (3) | 0.22131 (14) | 0.0486 (12) | |
| H29A | −0.2346 | 0.4346 | 0.2346 | 0.058* | |
| H29B | −0.2185 | 0.5342 | 0.2050 | 0.058* | |
| C30 | −0.1184 (3) | 0.5193 (3) | 0.26089 (14) | 0.0446 (12) | |
| H30A | −0.1609 | 0.5503 | 0.2856 | 0.054* | |
| H30B | −0.0800 | 0.4653 | 0.2759 | 0.054* | |
| C31 | 0.0203 (4) | 0.6271 (3) | 0.27595 (15) | 0.0577 (13) | |
| H31A | 0.0613 | 0.5722 | 0.2884 | 0.069* | |
| H31B | −0.0165 | 0.6570 | 0.3029 | 0.069* | |
| C32 | 0.0879 (4) | 0.7032 (3) | 0.25261 (16) | 0.0653 (15) | |
| H32A | 0.0463 | 0.7568 | 0.2393 | 0.078* | |
| H32B | 0.1333 | 0.7318 | 0.2768 | 0.078* | |
| C33 | 0.2139 (3) | 0.7294 (3) | 0.19290 (15) | 0.0485 (13) | |
| H33A | 0.2603 | 0.7564 | 0.2172 | 0.058* | |
| H33B | 0.1744 | 0.7843 | 0.1794 | 0.058* | |
| C34 | 0.2738 (3) | 0.6798 (3) | 0.15356 (15) | 0.0459 (12) | |
| H34A | 0.3239 | 0.7262 | 0.1404 | 0.055* | |
| H34B | 0.3101 | 0.6223 | 0.1665 | 0.055* | |
| C35 | 0.2594 (3) | 0.6084 (3) | 0.07566 (15) | 0.0487 (13) | |
| H35A | 0.3005 | 0.5516 | 0.0858 | 0.058* | |
| H35B | 0.3047 | 0.6587 | 0.0620 | 0.058* | |
| C36 | 0.1829 (3) | 0.5760 (3) | 0.03834 (13) | 0.0429 (11) | |
| H36A | 0.1376 | 0.6312 | 0.0302 | 0.051* | |
| H36B | 0.2177 | 0.5545 | 0.0090 | 0.051* | |
| C37 | 0.0553 (3) | 0.4539 (3) | 0.02498 (12) | 0.0390 (10) | |
| H37A | 0.0910 | 0.4309 | −0.0039 | 0.047* | |
| H37B | 0.0053 | 0.5038 | 0.0153 | 0.047* | |
| C38 | 0.0032 (3) | 0.3683 (3) | 0.04914 (13) | 0.0419 (11) | |
| H38A | −0.0408 | 0.3339 | 0.0261 | 0.050* | |
| H38B | 0.0535 | 0.3210 | 0.0612 | 0.050* | |
| C39 | −0.1043 (3) | 0.3312 (3) | 0.11580 (14) | 0.0431 (11) | |
| H39A | −0.0533 | 0.2933 | 0.1337 | 0.052* | |
| H39B | −0.1405 | 0.2856 | 0.0944 | 0.052* | |
| C40 | −0.1786 (3) | 0.3792 (3) | 0.15067 (15) | 0.0447 (12) | |
| H40A | −0.2210 | 0.4275 | 0.1337 | 0.054* | |
| H40B | −0.2228 | 0.3287 | 0.1649 | 0.054* | |
| O7 | 0.1415 (3) | 0.3777 (3) | 0.18754 (11) | 0.0738 (11) | |
| C41 | 0.2195 (4) | 0.3313 (4) | 0.16068 (19) | 0.0842 (17) | |
| H41A | 0.2307 | 0.3666 | 0.1303 | 0.101* | |
| H41B | 0.2011 | 0.2625 | 0.1534 | 0.101* | |
| C42 | 0.3122 (4) | 0.3344 (4) | 0.19089 (17) | 0.0776 (17) | |
| H42A | 0.3499 | 0.3963 | 0.1861 | 0.093* | |
| H42B | 0.3569 | 0.2781 | 0.1842 | 0.093* | |
| C43 | 0.2681 (4) | 0.3285 (5) | 0.24082 (18) | 0.091 (2) | |
| H43A | 0.2589 | 0.2595 | 0.2508 | 0.110* | |
| H43B | 0.3117 | 0.3623 | 0.2642 | 0.110* | |
| C44 | 0.1701 (4) | 0.3792 (4) | 0.23591 (16) | 0.0718 (16) | |
| H44A | 0.1187 | 0.3456 | 0.2555 | 0.086* | |
| H44B | 0.1760 | 0.4478 | 0.2471 | 0.086* | |
| O8 | −0.0901 (3) | 0.6752 (3) | 0.11277 (14) | 0.1021 (15) | |
| C45 | −0.1710 (6) | 0.7154 (5) | 0.1368 (2) | 0.147 (3) | |
| H45A | −0.2255 | 0.6662 | 0.1395 | 0.176* | |
| H45B | −0.1504 | 0.7345 | 0.1694 | 0.176* | |
| C46 | −0.2049 (5) | 0.7953 (5) | 0.1129 (3) | 0.105 (2) | |
| H46A | −0.1686 | 0.8548 | 0.1234 | 0.126* | |
| H46B | −0.2775 | 0.8049 | 0.1188 | 0.126* | |
| C47 | −0.1865 (5) | 0.7771 (4) | 0.0613 (2) | 0.097 (2) | |
| H47A | −0.1581 | 0.8357 | 0.0453 | 0.116* | |
| H47B | −0.2487 | 0.7568 | 0.0446 | 0.116* | |
| C48 | −0.1109 (7) | 0.6943 (6) | 0.0635 (2) | 0.195 (5) | |
| H48A | −0.1387 | 0.6348 | 0.0481 | 0.234* | |
| H48B | −0.0485 | 0.7131 | 0.0467 | 0.234* | |
| O9 | 0.1283 (5) | 1.0242 (5) | 0.0337 (2) | 0.074 (3) | 0.561 (8) |
| C49 | 0.1160 (9) | 1.0277 (10) | 0.0850 (4) | 0.048 (4) | 0.561 (8) |
| H49A | 0.0442 | 1.0360 | 0.0934 | 0.072* | 0.561 (8) |
| H49B | 0.1542 | 1.0835 | 0.0985 | 0.072* | 0.561 (8) |
| C50 | 0.1548 (17) | 0.9331 (15) | 0.1044 (5) | 0.128 (7) | 0.561 (8) |
| H50A | 0.0989 | 0.8883 | 0.1126 | 0.192* | 0.561 (8) |
| H50B | 0.1962 | 0.9443 | 0.1333 | 0.192* | 0.561 (8) |
| C51 | 0.218 (2) | 0.892 (2) | 0.0643 (13) | 0.118 (12) | 0.561 (8) |
| H51A | 0.2861 | 0.8754 | 0.0757 | 0.177* | 0.561 (8) |
| H51B | 0.1864 | 0.8316 | 0.0512 | 0.177* | 0.561 (8) |
| C52 | 0.2216 (7) | 0.9687 (8) | 0.0283 (4) | 0.068 (3) | 0.561 (8) |
| H52A | 0.2262 | 0.9400 | −0.0040 | 0.102* | 0.561 (8) |
| H52B | 0.2805 | 1.0117 | 0.0335 | 0.102* | 0.561 (8) |
| O10 | 0.0540 (11) | 0.9506 (9) | 0.1099 (4) | 0.112 (4) | 0.439 (8) |
| C53 | 0.095 (2) | 1.037 (3) | 0.0972 (11) | 0.169 (16)* | 0.439 (8) |
| H53A | 0.1287 | 1.0707 | 0.1241 | 0.254* | 0.439 (8) |
| H53B | 0.0461 | 1.0817 | 0.0818 | 0.254* | 0.439 (8) |
| C54 | 0.1791 (13) | 0.9867 (11) | 0.0571 (6) | 0.056 (4)* | 0.439 (8) |
| H54A | 0.1578 | 1.0026 | 0.0242 | 0.084* | 0.439 (8) |
| H54B | 0.2465 | 1.0155 | 0.0623 | 0.084* | 0.439 (8) |
| C55 | 0.185 (2) | 0.872 (3) | 0.0633 (11) | 0.066 (8) | 0.439 (8) |
| H55A | 0.2372 | 0.8511 | 0.0860 | 0.099* | 0.439 (8) |
| H55B | 0.1917 | 0.8368 | 0.0327 | 0.099* | 0.439 (8) |
| C56 | 0.0744 (11) | 0.8671 (12) | 0.0848 (5) | 0.094 (5) | 0.439 (8) |
| H56A | 0.0251 | 0.8596 | 0.0586 | 0.141* | 0.439 (8) |
| H56B | 0.0685 | 0.8093 | 0.1060 | 0.141* | 0.439 (8) |
| Co1 | 0.0313 (3) | 0.0510 (4) | 0.0348 (3) | −0.0066 (3) | 0.0057 (3) | −0.0050 (3) |
| C1 | 0.034 (3) | 0.052 (3) | 0.023 (2) | 0.003 (3) | 0.0025 (19) | −0.007 (2) |
| C2 | 0.042 (3) | 0.041 (3) | 0.041 (3) | −0.009 (2) | 0.006 (2) | −0.003 (2) |
| C3 | 0.042 (3) | 0.039 (3) | 0.040 (3) | −0.001 (2) | 0.003 (2) | 0.007 (2) |
| C4 | 0.029 (3) | 0.044 (3) | 0.028 (2) | −0.007 (3) | −0.002 (2) | 0.011 (2) |
| C5 | 0.019 (3) | 0.047 (3) | 0.028 (2) | −0.008 (2) | 0.0011 (18) | 0.008 (2) |
| C6 | 0.021 (2) | 0.044 (3) | 0.030 (2) | −0.0082 (19) | −0.0003 (18) | 0.005 (2) |
| C7 | 0.028 (3) | 0.051 (3) | 0.028 (2) | −0.008 (2) | −0.0022 (19) | 0.005 (2) |
| C8 | 0.030 (3) | 0.047 (3) | 0.021 (2) | −0.005 (2) | 0.0027 (18) | 0.001 (2) |
| C9 | 0.031 (3) | 0.038 (3) | 0.035 (3) | −0.006 (2) | 0.001 (2) | 0.001 (2) |
| C10 | 0.020 (2) | 0.039 (3) | 0.047 (3) | 0.002 (2) | 0.000 (2) | 0.015 (2) |
| C11 | 0.028 (3) | 0.057 (3) | 0.054 (3) | −0.008 (2) | 0.000 (2) | 0.013 (3) |
| C12 | 0.038 (3) | 0.042 (3) | 0.084 (4) | 0.005 (2) | 0.004 (3) | 0.013 (3) |
| C13 | 0.042 (3) | 0.056 (4) | 0.069 (3) | −0.001 (3) | 0.012 (2) | −0.012 (3) |
| C14 | 0.041 (3) | 0.045 (3) | 0.043 (3) | 0.002 (3) | 0.002 (2) | 0.001 (2) |
| C15 | 0.032 (2) | 0.040 (3) | 0.035 (2) | −0.002 (2) | −0.002 (2) | 0.003 (2) |
| C16 | 0.040 (3) | 0.073 (4) | 0.029 (3) | −0.010 (3) | 0.007 (2) | 0.006 (2) |
| C17 | 0.035 (3) | 0.073 (4) | 0.047 (3) | −0.002 (3) | 0.012 (2) | −0.023 (3) |
| C18 | 0.026 (3) | 0.044 (3) | 0.060 (3) | 0.001 (2) | 0.007 (2) | −0.010 (2) |
| C19 | 0.035 (3) | 0.030 (3) | 0.033 (3) | −0.009 (2) | 0.001 (2) | −0.011 (2) |
| C20 | 0.022 (2) | 0.039 (3) | 0.031 (2) | −0.006 (2) | −0.0011 (19) | −0.006 (2) |
| C21 | 0.020 (2) | 0.027 (2) | 0.044 (2) | 0.004 (2) | 0.0037 (19) | −0.006 (2) |
| C22 | 0.035 (3) | 0.026 (3) | 0.051 (3) | 0.005 (2) | −0.005 (2) | −0.001 (2) |
| C23 | 0.034 (3) | 0.028 (3) | 0.031 (3) | −0.006 (2) | 0.001 (2) | −0.004 (2) |
| C24 | 0.028 (3) | 0.027 (3) | 0.034 (2) | −0.008 (2) | 0.004 (2) | −0.005 (2) |
| C25 | 0.036 (3) | 0.032 (3) | 0.047 (3) | −0.001 (2) | 0.004 (2) | −0.002 (2) |
| C26 | 0.053 (3) | 0.058 (3) | 0.035 (3) | −0.022 (3) | 0.015 (2) | −0.006 (3) |
| C27 | 0.069 (4) | 0.057 (4) | 0.033 (3) | −0.025 (3) | 0.006 (3) | 0.012 (3) |
| C28 | 0.059 (4) | 0.040 (3) | 0.040 (3) | 0.000 (3) | −0.015 (3) | 0.009 (2) |
| K1 | 0.0288 (5) | 0.0366 (5) | 0.0352 (5) | −0.0008 (5) | −0.0023 (4) | −0.0025 (4) |
| O1 | 0.0298 (17) | 0.0412 (17) | 0.0408 (15) | −0.0051 (15) | 0.0016 (14) | −0.0076 (15) |
| O2 | 0.0363 (19) | 0.0461 (19) | 0.0506 (17) | −0.0129 (17) | 0.0057 (16) | −0.0120 (14) |
| O3 | 0.042 (2) | 0.041 (2) | 0.0417 (18) | −0.0060 (16) | 0.0012 (15) | −0.0150 (15) |
| O4 | 0.0295 (19) | 0.0456 (19) | 0.0441 (18) | −0.0011 (15) | 0.0018 (15) | −0.0061 (15) |
| O5 | 0.0342 (18) | 0.0434 (18) | 0.0357 (15) | −0.0048 (15) | 0.0004 (14) | 0.0001 (14) |
| O6 | 0.0381 (19) | 0.0425 (18) | 0.0375 (16) | 0.0005 (16) | 0.0042 (14) | −0.0034 (14) |
| C29 | 0.048 (3) | 0.049 (3) | 0.049 (3) | −0.009 (3) | 0.017 (3) | 0.001 (2) |
| C30 | 0.034 (3) | 0.051 (3) | 0.049 (3) | 0.000 (3) | 0.005 (2) | −0.012 (2) |
| C31 | 0.051 (3) | 0.073 (3) | 0.049 (3) | −0.012 (3) | 0.017 (3) | −0.034 (3) |
| C32 | 0.052 (4) | 0.074 (4) | 0.070 (4) | −0.007 (3) | −0.002 (3) | −0.037 (3) |
| C33 | 0.041 (3) | 0.052 (3) | 0.052 (3) | −0.018 (3) | −0.015 (3) | 0.002 (3) |
| C34 | 0.034 (3) | 0.047 (3) | 0.057 (3) | −0.008 (2) | −0.001 (3) | −0.004 (3) |
| C35 | 0.034 (3) | 0.054 (3) | 0.059 (3) | −0.005 (2) | 0.017 (2) | 0.002 (2) |
| C36 | 0.043 (3) | 0.046 (3) | 0.039 (2) | 0.002 (3) | 0.014 (2) | 0.005 (2) |
| C37 | 0.040 (3) | 0.045 (3) | 0.031 (2) | 0.006 (2) | 0.002 (2) | −0.005 (2) |
| C38 | 0.032 (3) | 0.044 (3) | 0.049 (3) | 0.000 (2) | −0.007 (2) | −0.009 (2) |
| C39 | 0.036 (3) | 0.041 (3) | 0.052 (3) | −0.013 (2) | −0.008 (2) | −0.010 (3) |
| C40 | 0.028 (3) | 0.050 (3) | 0.055 (3) | −0.006 (2) | −0.002 (2) | 0.008 (2) |
| O7 | 0.066 (3) | 0.109 (3) | 0.046 (2) | 0.044 (2) | −0.0049 (19) | 0.0008 (19) |
| C41 | 0.093 (5) | 0.103 (5) | 0.056 (3) | 0.030 (4) | 0.005 (4) | −0.007 (4) |
| C42 | 0.045 (4) | 0.130 (5) | 0.058 (3) | 0.021 (3) | 0.001 (3) | −0.034 (4) |
| C43 | 0.072 (5) | 0.139 (6) | 0.063 (4) | 0.047 (4) | −0.010 (3) | −0.012 (4) |
| C44 | 0.068 (4) | 0.100 (4) | 0.048 (3) | 0.011 (3) | −0.007 (3) | 0.005 (3) |
| O8 | 0.105 (3) | 0.132 (3) | 0.069 (3) | 0.091 (3) | 0.007 (2) | 0.018 (3) |
| C45 | 0.210 (9) | 0.127 (7) | 0.104 (6) | 0.107 (6) | 0.051 (6) | 0.044 (5) |
| C46 | 0.086 (5) | 0.091 (5) | 0.138 (7) | 0.039 (4) | 0.013 (5) | 0.004 (5) |
| C47 | 0.152 (7) | 0.091 (5) | 0.049 (4) | 0.045 (4) | −0.031 (4) | 0.007 (3) |
| C48 | 0.290 (11) | 0.207 (9) | 0.088 (6) | 0.195 (8) | 0.016 (6) | 0.016 (5) |
| O9 | 0.074 (6) | 0.076 (5) | 0.072 (5) | 0.019 (4) | −0.012 (4) | −0.008 (4) |
| C49 | 0.048 (7) | 0.058 (8) | 0.037 (6) | −0.015 (6) | 0.028 (5) | −0.006 (6) |
| C50 | 0.148 (19) | 0.148 (17) | 0.088 (11) | −0.058 (15) | −0.015 (11) | 0.071 (12) |
| C51 | 0.10 (2) | 0.035 (11) | 0.22 (2) | −0.012 (13) | −0.087 (19) | −0.002 (13) |
| C52 | 0.056 (8) | 0.058 (8) | 0.091 (8) | 0.022 (6) | −0.034 (6) | −0.015 (7) |
| O10 | 0.106 (11) | 0.084 (8) | 0.146 (9) | 0.006 (8) | 0.012 (8) | −0.025 (7) |
| C55 | 0.067 (18) | 0.07 (2) | 0.059 (12) | −0.014 (12) | −0.012 (10) | 0.020 (10) |
| C56 | 0.059 (12) | 0.105 (14) | 0.119 (12) | −0.023 (10) | 0.007 (9) | −0.018 (10) |
| Co1—C1 | 2.142 (4) | C29—H29A | 0.9700 |
| Co1—C2 | 1.997 (4) | C29—H29B | 0.9700 |
| Co1—C3 | 1.967 (4) | C30—H30A | 0.9700 |
| Co1—C4 | 2.104 (4) | C30—H30B | 0.9700 |
| Co1—C15 | 2.105 (4) | C31—C32 | 1.491 (5) |
| Co1—C16 | 1.956 (4) | C31—H31A | 0.9700 |
| Co1—C17 | 1.993 (4) | C31—H31B | 0.9700 |
| Co1—C18 | 2.103 (4) | C32—H32A | 0.9700 |
| C1—C2 | 1.393 (5) | C32—H32B | 0.9700 |
| C1—C6 | 1.458 (5) | C33—C34 | 1.490 (5) |
| C1—H1A | 0.9800 | C33—H33A | 0.9700 |
| C2—C3 | 1.415 (5) | C33—H33B | 0.9700 |
| C2—H2A | 0.9800 | C34—H34A | 0.9700 |
| C3—C4 | 1.415 (5) | C34—H34B | 0.9700 |
| C3—H3A | 0.9800 | C35—C36 | 1.495 (5) |
| C4—C5 | 1.459 (5) | C35—H35A | 0.9700 |
| C4—H4A | 0.9800 | C35—H35B | 0.9700 |
| C5—C8 | 1.367 (5) | C36—H36A | 0.9700 |
| C5—C6 | 1.439 (5) | C36—H36B | 0.9700 |
| C6—C7 | 1.368 (5) | C37—C38 | 1.487 (4) |
| C7—C10 | 1.406 (5) | C37—H37A | 0.9700 |
| C7—H7A | 0.9300 | C37—H37B | 0.9700 |
| C8—C9 | 1.398 (5) | C38—H38A | 0.9700 |
| C8—H8A | 0.9300 | C38—H38B | 0.9700 |
| C9—C14 | 1.402 (5) | C39—C40 | 1.506 (5) |
| C9—C10 | 1.424 (5) | C39—H39A | 0.9700 |
| C10—C11 | 1.404 (5) | C39—H39B | 0.9700 |
| C11—C12 | 1.365 (5) | C40—H40A | 0.9700 |
| C11—H11 | 0.9300 | C40—H40B | 0.9700 |
| C12—C13 | 1.392 (5) | O7—C44 | 1.382 (4) |
| C12—H12A | 0.9300 | O7—C41 | 1.401 (5) |
| C13—C14 | 1.370 (5) | C41—C42 | 1.468 (6) |
| C13—H13A | 0.9300 | C41—H41A | 0.9700 |
| C14—H14A | 0.9300 | C41—H41B | 0.9700 |
| C15—C16 | 1.416 (5) | C42—C43 | 1.490 (6) |
| C15—C20 | 1.448 (5) | C42—H42A | 0.9700 |
| C15—H15A | 0.9800 | C42—H42B | 0.9700 |
| C16—C17 | 1.375 (5) | C43—C44 | 1.453 (6) |
| C16—H16A | 0.9800 | C43—H43A | 0.9700 |
| C17—C18 | 1.417 (5) | C43—H43B | 0.9700 |
| C17—H17A | 0.9800 | C44—H44A | 0.9700 |
| C18—C19 | 1.436 (5) | C44—H44B | 0.9700 |
| C18—H18A | 0.9800 | O8—C45 | 1.356 (6) |
| C19—C22 | 1.377 (5) | O8—C48 | 1.405 (6) |
| C19—C20 | 1.441 (5) | C45—C46 | 1.329 (6) |
| C20—C21 | 1.368 (4) | C45—H45A | 0.9700 |
| C21—C24 | 1.414 (5) | C45—H45B | 0.9700 |
| C21—H21A | 0.9300 | C46—C47 | 1.460 (6) |
| C22—C23 | 1.409 (5) | C46—H46A | 0.9700 |
| C22—H22A | 0.9300 | C46—H46B | 0.9700 |
| C23—C24 | 1.403 (5) | C47—C48 | 1.482 (7) |
| C23—C28 | 1.413 (5) | C47—H47A | 0.9700 |
| C24—C25 | 1.414 (5) | C47—H47B | 0.9700 |
| C25—C26 | 1.358 (5) | C48—H48A | 0.9700 |
| C25—H25A | 0.9300 | C48—H48B | 0.9700 |
| C26—C27 | 1.372 (6) | O9—C49 | 1.422 (13) |
| C26—H26A | 0.9300 | O9—C52 | 1.433 (11) |
| C27—C28 | 1.374 (6) | C49—C50 | 1.46 (2) |
| C27—H27A | 0.9300 | C49—H49A | 0.9700 |
| C28—H28 | 0.9300 | C49—H49B | 0.9700 |
| K1—O8 | 2.683 (3) | C50—C51 | 1.48 (4) |
| K1—O7 | 2.738 (3) | C50—H50A | 0.9700 |
| K1—O6 | 2.746 (2) | C50—H50B | 0.9700 |
| K1—O1 | 2.770 (3) | C51—C52 | 1.43 (3) |
| K1—O4 | 2.771 (3) | C51—H51A | 0.9700 |
| K1—O3 | 2.782 (3) | C51—H51B | 0.9700 |
| K1—O5 | 2.811 (2) | C52—H52A | 0.9700 |
| K1—O2 | 2.853 (3) | C52—H52B | 0.9700 |
| O1—C40 | 1.426 (4) | O10—C53 | 1.32 (3) |
| O1—C29 | 1.413 (4) | O10—C56 | 1.340 (16) |
| O2—C30 | 1.420 (4) | C53—C54 | 1.69 (3) |
| O2—C31 | 1.414 (4) | C53—H53A | 0.9700 |
| O3—C32 | 1.418 (4) | C53—H53B | 0.9700 |
| O3—C33 | 1.420 (4) | C54—C55 | 1.54 (4) |
| O4—C34 | 1.419 (4) | C54—H54A | 0.9700 |
| O4—C35 | 1.426 (4) | C54—H54B | 0.9700 |
| O5—C36 | 1.413 (4) | C55—C56 | 1.56 (3) |
| O5—C37 | 1.419 (4) | C55—H55A | 0.9700 |
| O6—C38 | 1.419 (4) | C55—H55B | 0.9700 |
| O6—C39 | 1.406 (4) | C56—H56A | 0.9700 |
| C29—C30 | 1.477 (5) | C56—H56B | 0.9700 |
| C16—Co1—C3 | 164.10 (19) | C36—O5—K1 | 113.8 (2) |
| C16—Co1—C17 | 40.74 (16) | C37—O5—K1 | 113.4 (2) |
| C3—Co1—C17 | 127.3 (2) | C39—O6—C38 | 113.3 (3) |
| C16—Co1—C2 | 127.78 (16) | C39—O6—K1 | 109.4 (2) |
| C3—Co1—C2 | 41.83 (14) | C38—O6—K1 | 116.8 (2) |
| C17—Co1—C2 | 118.14 (17) | O1—C29—C30 | 108.9 (3) |
| C16—Co1—C18 | 71.10 (17) | O1—C29—H29A | 109.9 |
| C3—Co1—C18 | 105.48 (17) | C30—C29—H29A | 109.9 |
| C17—Co1—C18 | 40.36 (15) | O1—C29—H29B | 109.9 |
| C2—Co1—C18 | 128.11 (17) | C30—C29—H29B | 109.9 |
| C16—Co1—C4 | 155.38 (18) | H29A—C29—H29B | 108.3 |
| C3—Co1—C4 | 40.52 (14) | O2—C30—C29 | 108.5 (3) |
| C17—Co1—C4 | 150.03 (18) | O2—C30—H30A | 110.0 |
| C2—Co1—C4 | 71.89 (16) | C29—C30—H30A | 110.0 |
| C18—Co1—C4 | 110.26 (16) | O2—C30—H30B | 110.0 |
| C16—Co1—C15 | 40.61 (15) | C29—C30—H30B | 110.0 |
| C3—Co1—C15 | 155.14 (16) | H30A—C30—H30B | 108.4 |
| C17—Co1—C15 | 71.30 (16) | O2—C31—C32 | 108.8 (4) |
| C2—Co1—C15 | 150.74 (17) | O2—C31—H31A | 109.9 |
| C18—Co1—C15 | 78.04 (16) | C32—C31—H31A | 109.9 |
| C4—Co1—C15 | 114.81 (15) | O2—C31—H31B | 109.9 |
| C16—Co1—C1 | 107.61 (16) | C32—C31—H31B | 109.9 |
| C3—Co1—C1 | 70.99 (15) | H31A—C31—H31B | 108.3 |
| C17—Co1—C1 | 128.51 (17) | O3—C32—C31 | 110.5 (3) |
| C2—Co1—C1 | 39.14 (14) | O3—C32—H32A | 109.5 |
| C18—Co1—C1 | 163.30 (15) | C31—C32—H32A | 109.5 |
| C4—Co1—C1 | 78.10 (13) | O3—C32—H32B | 109.5 |
| C15—Co1—C1 | 112.28 (16) | C31—C32—H32B | 109.5 |
| C2—C1—C6 | 120.6 (3) | H32A—C32—H32B | 108.1 |
| C2—C1—Co1 | 64.8 (2) | O3—C33—C34 | 109.8 (3) |
| C6—C1—Co1 | 101.1 (2) | O3—C33—H33A | 109.7 |
| C2—C1—H1A | 118.4 | C34—C33—H33A | 109.7 |
| C6—C1—H1A | 118.4 | O3—C33—H33B | 109.7 |
| Co1—C1—H1A | 118.4 | C34—C33—H33B | 109.7 |
| C1—C2—C3 | 116.7 (4) | H33A—C33—H33B | 108.2 |
| C1—C2—Co1 | 76.1 (3) | O4—C34—C33 | 108.9 (3) |
| C3—C2—Co1 | 68.0 (2) | O4—C34—H34A | 109.9 |
| C1—C2—H2A | 121.6 | C33—C34—H34A | 109.9 |
| C3—C2—H2A | 121.6 | O4—C34—H34B | 109.9 |
| Co1—C2—H2A | 121.6 | C33—C34—H34B | 109.9 |
| C4—C3—C2 | 116.6 (4) | H34A—C34—H34B | 108.3 |
| C4—C3—Co1 | 74.9 (2) | O4—C35—C36 | 108.6 (3) |
| C2—C3—Co1 | 70.2 (2) | O4—C35—H35A | 110.0 |
| C4—C3—H3A | 121.6 | C36—C35—H35A | 110.0 |
| C2—C3—H3A | 121.6 | O4—C35—H35B | 110.0 |
| Co1—C3—H3A | 121.6 | C36—C35—H35B | 110.0 |
| C3—C4—C5 | 121.2 (3) | H35A—C35—H35B | 108.4 |
| C3—C4—Co1 | 64.6 (2) | O5—C36—C35 | 107.5 (3) |
| C5—C4—Co1 | 102.1 (2) | O5—C36—H36A | 110.2 |
| C3—C4—H4A | 118.1 | C35—C36—H36A | 110.2 |
| C5—C4—H4A | 118.1 | O5—C36—H36B | 110.2 |
| Co1—C4—H4A | 118.1 | C35—C36—H36B | 110.2 |
| C8—C5—C6 | 119.5 (4) | H36A—C36—H36B | 108.5 |
| C8—C5—C4 | 126.2 (3) | O5—C37—C38 | 108.2 (3) |
| C6—C5—C4 | 114.3 (3) | O5—C37—H37A | 110.1 |
| C7—C6—C5 | 118.7 (3) | C38—C37—H37A | 110.1 |
| C7—C6—C1 | 125.4 (3) | O5—C37—H37B | 110.1 |
| C5—C6—C1 | 115.8 (4) | C38—C37—H37B | 110.1 |
| C6—C7—C10 | 122.0 (3) | H37A—C37—H37B | 108.4 |
| C6—C7—H7A | 119.0 | O6—C38—C37 | 108.2 (3) |
| C10—C7—H7A | 119.0 | O6—C38—H38A | 110.1 |
| C5—C8—C9 | 122.4 (3) | C37—C38—H38A | 110.1 |
| C5—C8—H8A | 118.8 | O6—C38—H38B | 110.1 |
| C9—C8—H8A | 118.8 | C37—C38—H38B | 110.1 |
| C8—C9—C14 | 122.6 (3) | H38A—C38—H38B | 108.4 |
| C8—C9—C10 | 118.2 (3) | O6—C39—C40 | 109.1 (3) |
| C14—C9—C10 | 119.2 (4) | O6—C39—K1 | 48.14 (16) |
| C11—C10—C7 | 122.4 (4) | C40—C39—K1 | 80.6 (2) |
| C11—C10—C9 | 118.2 (4) | O6—C39—H39A | 109.9 |
| C7—C10—C9 | 119.2 (3) | C40—C39—H39A | 109.9 |
| C12—C11—C10 | 121.6 (4) | K1—C39—H39A | 84.9 |
| C12—C11—H11 | 119.2 | O6—C39—H39B | 109.9 |
| C10—C11—H11 | 119.2 | C40—C39—H39B | 109.9 |
| C11—C12—C13 | 119.5 (4) | K1—C39—H39B | 157.9 |
| C11—C12—H12A | 120.3 | H39A—C39—H39B | 108.3 |
| C13—C12—H12A | 120.3 | O1—C40—C39 | 108.0 (3) |
| C14—C13—C12 | 121.1 (4) | O1—C40—H40A | 110.1 |
| C14—C13—H13A | 119.5 | C39—C40—H40A | 110.1 |
| C12—C13—H13A | 119.5 | O1—C40—H40B | 110.1 |
| C13—C14—C9 | 120.2 (4) | C39—C40—H40B | 110.1 |
| C13—C14—H14A | 119.9 | H40A—C40—H40B | 108.4 |
| C9—C14—H14A | 119.9 | C44—O7—C41 | 108.5 (4) |
| C16—C15—C20 | 120.2 (4) | C44—O7—K1 | 119.1 (3) |
| C16—C15—Co1 | 64.0 (2) | C41—O7—K1 | 120.0 (3) |
| C20—C15—Co1 | 102.5 (2) | O7—C41—C42 | 106.7 (4) |
| C16—C15—H15A | 118.5 | O7—C41—H41A | 110.4 |
| C20—C15—H15A | 118.5 | C42—C41—H41A | 110.4 |
| Co1—C15—H15A | 118.5 | O7—C41—H41B | 110.4 |
| C17—C16—C15 | 117.8 (4) | C42—C41—H41B | 110.4 |
| C17—C16—Co1 | 71.1 (3) | H41A—C41—H41B | 108.6 |
| C15—C16—Co1 | 75.3 (2) | C41—C42—C43 | 101.6 (4) |
| C17—C16—H16A | 121.1 | C41—C42—H42A | 111.4 |
| C15—C16—H16A | 121.1 | C43—C42—H42A | 111.4 |
| Co1—C16—H16A | 121.1 | C41—C42—H42B | 111.4 |
| C16—C17—C18 | 115.7 (4) | C43—C42—H42B | 111.4 |
| C16—C17—Co1 | 68.2 (3) | H42A—C42—H42B | 109.3 |
| C18—C17—Co1 | 74.0 (3) | C44—C43—C42 | 103.2 (4) |
| C16—C17—H17A | 122.0 | C44—C43—H43A | 111.1 |
| C18—C17—H17A | 122.0 | C42—C43—H43A | 111.1 |
| Co1—C17—H17A | 122.0 | C44—C43—H43B | 111.1 |
| C17—C18—C19 | 120.9 (4) | C42—C43—H43B | 111.1 |
| C17—C18—Co1 | 65.6 (3) | H43A—C43—H43B | 109.1 |
| C19—C18—Co1 | 102.1 (3) | O7—C44—C43 | 108.7 (4) |
| C17—C18—H18A | 118.0 | O7—C44—H44A | 110.0 |
| C19—C18—H18A | 118.0 | C43—C44—H44A | 110.0 |
| Co1—C18—H18A | 118.0 | O7—C44—H44B | 110.0 |
| C22—C19—C18 | 126.1 (4) | C43—C44—H44B | 110.0 |
| C22—C19—C20 | 118.7 (4) | H44A—C44—H44B | 108.3 |
| C18—C19—C20 | 115.1 (4) | C45—O8—C48 | 104.4 (5) |
| C21—C20—C19 | 119.1 (4) | C45—O8—K1 | 125.1 (4) |
| C21—C20—C15 | 126.4 (4) | C48—O8—K1 | 127.6 (4) |
| C19—C20—C15 | 114.4 (3) | C46—C45—O8 | 109.6 (6) |
| C20—C21—C24 | 122.2 (4) | C46—C45—H45A | 109.8 |
| C20—C21—H21A | 118.9 | O8—C45—H45A | 109.8 |
| C24—C21—H21A | 118.9 | C46—C45—H45B | 109.8 |
| C19—C22—C23 | 122.1 (4) | O8—C45—H45B | 109.8 |
| C19—C22—H22A | 118.9 | H45A—C45—H45B | 108.2 |
| C23—C22—H22A | 118.9 | C45—C46—C47 | 107.0 (5) |
| C24—C23—C22 | 119.1 (4) | C45—C46—H46A | 110.3 |
| C24—C23—C28 | 119.0 (4) | C47—C46—H46A | 110.3 |
| C22—C23—C28 | 121.9 (4) | C45—C46—H46B | 110.3 |
| C23—C24—C25 | 118.0 (4) | C47—C46—H46B | 110.3 |
| C23—C24—C21 | 118.8 (4) | H46A—C46—H46B | 108.6 |
| C25—C24—C21 | 123.2 (4) | C46—C47—C48 | 101.1 (5) |
| C26—C25—C24 | 121.5 (4) | C46—C47—H47A | 111.5 |
| C26—C25—H25A | 119.2 | C48—C47—H47A | 111.5 |
| C24—C25—H25A | 119.2 | C46—C47—H47B | 111.5 |
| C25—C26—C27 | 120.7 (4) | C48—C47—H47B | 111.5 |
| C25—C26—H26A | 119.7 | H47A—C47—H47B | 109.4 |
| C27—C26—H26A | 119.7 | O8—C48—C47 | 107.7 (5) |
| C26—C27—C28 | 119.9 (4) | O8—C48—H48A | 110.2 |
| C26—C27—H27A | 120.0 | C47—C48—H48A | 110.2 |
| C28—C27—H27A | 120.0 | O8—C48—H48B | 110.2 |
| C27—C28—C23 | 120.9 (4) | C47—C48—H48B | 110.2 |
| C27—C28—H28 | 119.6 | H48A—C48—H48B | 108.5 |
| C23—C28—H28 | 119.6 | C49—O9—C52 | 102.5 (8) |
| O8—K1—O7 | 169.58 (13) | O9—C49—C50 | 107.1 (12) |
| O8—K1—O6 | 85.30 (11) | O9—C49—H49A | 110.3 |
| O7—K1—O6 | 86.94 (9) | C50—C49—H49A | 110.3 |
| O8—K1—O1 | 91.78 (11) | O9—C49—H49B | 110.3 |
| O7—K1—O1 | 78.47 (9) | C50—C49—H49B | 110.3 |
| O6—K1—O1 | 62.88 (8) | H49A—C49—H49B | 108.5 |
| O8—K1—O4 | 90.50 (11) | C49—C50—C51 | 104.1 (17) |
| O7—K1—O4 | 99.38 (9) | C49—C50—H50A | 110.9 |
| O6—K1—O4 | 119.50 (8) | C51—C50—H50A | 110.9 |
| O1—K1—O4 | 176.85 (8) | C49—C50—H50B | 110.9 |
| O8—K1—O3 | 99.82 (11) | C51—C50—H50B | 110.9 |
| O7—K1—O3 | 87.94 (9) | H50A—C50—H50B | 109.0 |
| O6—K1—O3 | 174.87 (8) | C52—C51—C50 | 105 (2) |
| O1—K1—O3 | 116.37 (8) | C52—C51—H51A | 110.7 |
| O4—K1—O3 | 61.05 (8) | C50—C51—H51A | 110.7 |
| O8—K1—O5 | 93.11 (10) | C52—C51—H51B | 110.7 |
| O7—K1—O5 | 89.04 (9) | C50—C51—H51B | 110.7 |
| O6—K1—O5 | 60.12 (8) | H51A—C51—H51B | 108.8 |
| O1—K1—O5 | 122.08 (8) | C51—C52—O9 | 105.7 (17) |
| O4—K1—O5 | 59.92 (8) | C51—C52—H52A | 110.6 |
| O3—K1—O5 | 119.43 (9) | O9—C52—H52A | 110.6 |
| O8—K1—O2 | 84.79 (10) | C51—C52—H52B | 110.6 |
| O7—K1—O2 | 93.24 (9) | O9—C52—H52B | 110.6 |
| O6—K1—O2 | 120.77 (9) | H52A—C52—H52B | 108.7 |
| O1—K1—O2 | 59.27 (8) | C53—O10—C56 | 120.7 (16) |
| O4—K1—O2 | 118.82 (8) | O10—C53—C54 | 95.1 (19) |
| O3—K1—O2 | 59.92 (8) | O10—C53—H53A | 112.7 |
| O5—K1—O2 | 177.58 (8) | C54—C53—H53A | 112.7 |
| O8—K1—C39 | 95.71 (12) | O10—C53—H53B | 112.7 |
| O7—K1—C39 | 74.66 (11) | C54—C53—H53B | 112.7 |
| O6—K1—C39 | 22.42 (7) | H53A—C53—H53B | 110.2 |
| O1—K1—C39 | 42.80 (8) | C55—C54—C53 | 111 (2) |
| O4—K1—C39 | 139.04 (9) | C55—C54—H54A | 109.5 |
| O3—K1—C39 | 154.63 (9) | C53—C54—H54A | 109.5 |
| O5—K1—C39 | 79.30 (9) | C55—C54—H54B | 109.5 |
| O2—K1—C39 | 102.07 (9) | C53—C54—H54B | 109.5 |
| C29—O1—C40 | 112.5 (3) | H54A—C54—H54B | 108.1 |
| C29—O1—K1 | 114.9 (2) | C54—C55—C56 | 92 (2) |
| C40—O1—K1 | 111.9 (2) | C54—C55—H55A | 113.2 |
| C31—O2—C30 | 111.9 (3) | C56—C55—H55A | 113.2 |
| C31—O2—K1 | 114.6 (2) | C54—C55—H55B | 113.2 |
| C30—O2—K1 | 115.6 (2) | C56—C55—H55B | 113.2 |
| C32—O3—C33 | 111.7 (3) | H55A—C55—H55B | 110.6 |
| C32—O3—K1 | 116.0 (2) | O10—C56—C55 | 110.1 (16) |
| C33—O3—K1 | 114.6 (2) | O10—C56—H56A | 109.7 |
| C34—O4—C35 | 111.5 (3) | C55—C56—H56A | 109.7 |
| C34—O4—K1 | 114.0 (2) | O10—C56—H56B | 109.7 |
| C35—O4—K1 | 116.4 (2) | C55—C56—H56B | 109.7 |
| C36—O5—C37 | 112.8 (3) | H56A—C56—H56B | 108.2 |
| C1—C2—C3—C4 | 0.3 (6) | C18—C19—C22—C23 | −178.4 (4) |
| C6—C1—C2—C3 | −32.1 (5) | C20—C19—C22—C23 | −0.1 (6) |
| C2—C3—C4—C5 | 30.9 (6) | C19—C22—C23—C24 | 0.7 (6) |
| Co1—C1—C2—C3 | 56.2 (3) | C19—C22—C23—C28 | −177.6 (4) |
| Co1—C2—C3—C4 | 60.7 (3) | C22—C23—C24—C25 | −179.0 (4) |
| C1—C2—C3—Co1 | −60.4 (3) | C28—C23—C24—C25 | −0.6 (5) |
| C2—C3—C4—Co1 | −58.2 (3) | C22—C23—C24—C21 | −1.5 (5) |
| C6—C1—C2—Co1 | −88.2 (3) | C28—C23—C24—C21 | 176.9 (4) |
| Co1—C3—C4—C5 | 89.1 (4) | C20—C21—C24—C23 | 1.8 (6) |
| C2—C1—C6—C5 | 32.8 (5) | C20—C21—C24—C25 | 179.2 (4) |
| C3—C4—C5—C6 | −29.3 (5) | C23—C24—C25—C26 | −0.1 (6) |
| C2—C1—C6—C7 | −150.6 (4) | C21—C24—C25—C26 | −177.6 (4) |
| C3—C4—C5—C8 | 151.3 (4) | C24—C25—C26—C27 | 1.7 (6) |
| C4—C5—C6—C1 | −2.0 (5) | C25—C26—C27—C28 | −2.5 (7) |
| C8—C5—C6—C7 | 0.6 (5) | C26—C27—C28—C23 | 1.8 (7) |
| C4—C5—C6—C7 | −178.9 (3) | C24—C23—C28—C27 | −0.2 (6) |
| C8—C5—C6—C1 | 177.4 (3) | C22—C23—C28—C27 | 178.2 (4) |
| C5—C6—C7—C10 | −0.4 (5) | C40—O1—C29—C30 | 174.6 (3) |
| C1—C6—C7—C10 | −177.0 (4) | C31—O2—C30—C29 | −175.5 (3) |
| C6—C5—C8—C9 | −0.5 (6) | O1—C29—C30—O2 | 64.4 (4) |
| C4—C5—C8—C9 | 178.9 (4) | C30—O2—C31—C32 | −178.9 (3) |
| C5—C8—C9—C14 | −179.6 (4) | C33—O3—C32—C31 | −178.5 (4) |
| C5—C8—C9—C10 | 0.2 (6) | O2—C31—C32—O3 | −63.1 (5) |
| C6—C7—C10—C11 | −175.8 (4) | C32—O3—C33—C34 | −179.8 (3) |
| C6—C7—C10—C9 | 0.2 (6) | C35—O4—C34—C33 | 175.0 (3) |
| C8—C9—C10—C11 | 176.1 (4) | O3—C33—C34—O4 | 64.6 (4) |
| C14—C9—C10—C11 | −4.0 (6) | C34—O4—C35—C36 | 179.2 (3) |
| C8—C9—C10—C7 | −0.1 (6) | C37—O5—C36—C35 | −175.9 (3) |
| C14—C9—C10—C7 | 179.8 (4) | O4—C35—C36—O5 | −65.6 (4) |
| C7—C10—C11—C12 | 179.0 (4) | C36—O5—C37—C38 | 177.8 (3) |
| C9—C10—C11—C12 | 3.0 (6) | C39—O6—C38—C37 | −176.4 (3) |
| C10—C11—C12—C13 | 0.4 (6) | O5—C37—C38—O6 | 65.3 (4) |
| C11—C12—C13—C14 | −2.9 (6) | C38—O6—C39—C40 | −170.6 (3) |
| C12—C13—C14—C9 | 1.8 (7) | C29—O1—C40—C39 | 177.1 (3) |
| C8—C9—C14—C13 | −178.4 (4) | O6—C39—C40—O1 | −72.0 (4) |
| C10—C9—C14—C13 | 1.7 (6) | C44—O7—C41—C42 | −18.9 (6) |
| C15—C16—C17—C18 | 2.5 (6) | O7—C41—C42—C43 | 31.5 (6) |
| C20—C15—C16—C17 | 30.8 (6) | C41—C42—C43—C44 | −31.8 (6) |
| C16—C17—C18—C19 | −34.3 (6) | C41—O7—C44—C43 | −2.3 (6) |
| Co1—C15—C16—C17 | −58.9 (4) | C42—C43—C44—O7 | 22.0 (6) |
| Co1—C16—C17—C18 | −58.6 (4) | C48—O8—C45—C46 | −32.4 (8) |
| C15—C16—C17—Co1 | 61.1 (3) | O8—C45—C46—C47 | 31.7 (9) |
| C16—C17—C18—Co1 | 55.5 (3) | C45—C46—C47—C48 | −17.0 (8) |
| C20—C15—C16—Co1 | 89.7 (3) | C45—O8—C48—C47 | 20.0 (8) |
| Co1—C17—C18—C19 | −89.8 (4) | C46—C47—C48—O8 | −2.1 (8) |
| C16—C15—C20—C19 | −32.2 (5) | C52—O9—C49—C50 | −34.7 (11) |
| C17—C18—C19—C20 | 31.7 (5) | O9—C49—C50—C51 | 17.2 (18) |
| C16—C15—C20—C21 | 150.7 (4) | C49—C50—C51—C52 | 7 (2) |
| C17—C18—C19—C22 | −149.9 (4) | C50—C51—C52—O9 | −29 (2) |
| C18—C19—C20—C15 | 1.5 (5) | C49—O9—C52—C51 | 39.4 (15) |
| C22—C19—C20—C21 | 0.4 (5) | C56—O10—C53—C54 | −11 (3) |
| C18—C19—C20—C21 | 178.8 (3) | O10—C53—C54—C55 | −13 (3) |
| C22—C19—C20—C15 | −177.0 (3) | C53—C54—C55—C56 | 26 (2) |
| C19—C20—C21—C24 | −1.2 (6) | C53—O10—C56—C55 | 31 (3) |
| C15—C20—C21—C24 | 175.8 (3) | C54—C55—C56—O10 | −32 (2) |