| Literature DB >> 21200503 |
Chun-Sen Liu, Li-Fen Yan, Ze Chang, Jun-Jie Wang.
Abstract
The title complex, [La(2)(C(15)H(9)O(2))(6)(C(10)H(8)N(2))(2)], has a centrosymmetric binuclear cage structure in which two La(III )atoms are both nine-coordinated and bridged by four anthracene-9-carboxyl-ate ligands, with an La⋯La separation of 4.0880 (4) Å. The remaining coordination sites are occupied by two N atoms of a 2,2'-bipyridine (bipy) and two O atoms of an anthracene-9-carboxyl-ate ligand. The six anthracene-9-carboxyl-ate groups coordinate each La(III )atom in three different ways. Adjacent discrete dinuclear units are arranged into a one-dimensional chain along the [111] direction by inter-molecular π-π stacking inter-actions, with a centroid-centroid separation of 3.704 (7) Å.Entities:
Year: 2007 PMID: 21200503 PMCID: PMC2914908 DOI: 10.1107/S1600536807062241
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [La2(C15H9O2)6(C10H8N2)2] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 6220 reflections | |
| θ = 2.4–28.2º | |
| µ = 1.07 mm−1 | |
| α = 113.036 (4)º | |
| β = 103.257 (4)º | Block, yellow |
| γ = 102.913 (3)º | 0.20 × 0.14 × 0.12 mm |
| CCD area-detector diffractometer | 7432 independent reflections |
| Radiation source: fine-focus sealed tube | 6474 reflections with |
| Monochromator: graphite | |
| θmax = 25.0º | |
| φ and ω scans | θmin = 1.7º |
| Absorption correction: multi-scan(SADABS; Bruker, 1998) | |
| 32552 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 = 0.008 | |
| 7432 reflections | Δρmax = 0.79 e Å−3 |
| 577 parameters | Δρmin = −0.86 e Å−3 |
| Primary atom site location: structure-invariant direct methods | Extinction correction: none |
| 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 |
| La1 | 0.676202 (12) | 0.570648 (12) | 0.595266 (10) | 0.03410 (7) | |
| C1 | 0.4637 (3) | 0.2753 (2) | 0.4356 (2) | 0.0417 (6) | |
| C2 | 0.5386 (2) | 0.2008 (2) | 0.4404 (2) | 0.0413 (6) | |
| C3 | 0.5804 (3) | 0.1540 (2) | 0.3612 (2) | 0.0470 (7) | |
| C4 | 0.5564 (3) | 0.1751 (3) | 0.2769 (3) | 0.0621 (9) | |
| H4A | 0.5098 | 0.2204 | 0.2724 | 0.074* | |
| C5 | 0.6003 (4) | 0.1301 (4) | 0.2026 (3) | 0.0801 (12) | |
| H5A | 0.5845 | 0.1455 | 0.1483 | 0.096* | |
| C6 | 0.6698 (4) | 0.0602 (4) | 0.2080 (3) | 0.0879 (14) | |
| H6A | 0.6992 | 0.0295 | 0.1567 | 0.105* | |
| C7 | 0.6943 (4) | 0.0371 (3) | 0.2856 (3) | 0.0772 (11) | |
| H7A | 0.7398 | −0.0098 | 0.2869 | 0.093* | |
| C8 | 0.6519 (3) | 0.0833 (3) | 0.3665 (3) | 0.0553 (8) | |
| C9 | 0.6768 (3) | 0.0623 (3) | 0.4482 (3) | 0.0614 (9) | |
| H9A | 0.7222 | 0.0155 | 0.4504 | 0.074* | |
| C10 | 0.6364 (3) | 0.1086 (3) | 0.5273 (3) | 0.0524 (8) | |
| C11 | 0.6596 (3) | 0.0849 (3) | 0.6105 (3) | 0.0678 (10) | |
| H11A | 0.7037 | 0.0372 | 0.6129 | 0.081* | |
| C12 | 0.6187 (4) | 0.1304 (4) | 0.6856 (3) | 0.0742 (11) | |
| H12A | 0.6346 | 0.1137 | 0.7392 | 0.089* | |
| C13 | 0.5520 (4) | 0.2029 (3) | 0.6833 (3) | 0.0685 (10) | |
| H13A | 0.5254 | 0.2350 | 0.7361 | 0.082* | |
| C14 | 0.5261 (3) | 0.2266 (3) | 0.6052 (2) | 0.0549 (8) | |
| H14A | 0.4811 | 0.2742 | 0.6051 | 0.066* | |
| C15 | 0.5660 (2) | 0.1803 (2) | 0.5236 (2) | 0.0438 (7) | |
| C16 | 0.8859 (2) | 0.7626 (2) | 0.7512 (2) | 0.0419 (7) | |
| C17 | 0.9949 (3) | 0.8618 (2) | 0.8350 (2) | 0.0442 (7) | |
| C18 | 1.0854 (3) | 0.8381 (3) | 0.8901 (2) | 0.0494 (7) | |
| C19 | 1.0865 (3) | 0.7256 (3) | 0.8641 (3) | 0.0663 (10) | |
| H19A | 1.0251 | 0.6636 | 0.8079 | 0.080* | |
| C20 | 1.1754 (4) | 0.7066 (4) | 0.9198 (4) | 0.0891 (13) | |
| H20A | 1.1752 | 0.6320 | 0.9005 | 0.107* | |
| C21 | 1.2676 (4) | 0.7984 (4) | 1.0063 (4) | 0.0918 (14) | |
| H21A | 1.3272 | 0.7840 | 1.0445 | 0.110* | |
| C22 | 1.2707 (3) | 0.9062 (4) | 1.0342 (3) | 0.0714 (11) | |
| H22A | 1.3328 | 0.9658 | 1.0916 | 0.086* | |
| C23 | 1.1809 (3) | 0.9318 (3) | 0.9780 (2) | 0.0505 (8) | |
| C24 | 1.1819 (3) | 1.0422 (3) | 1.0058 (2) | 0.0502 (8) | |
| H24A | 1.2421 | 1.1020 | 1.0644 | 0.060* | |
| C25 | 1.0950 (3) | 1.0675 (2) | 0.9486 (2) | 0.0449 (7) | |
| C26 | 1.0969 (3) | 1.1815 (3) | 0.9768 (2) | 0.0562 (8) | |
| H26A | 1.1579 | 1.2422 | 1.0344 | 0.067* | |
| C27 | 1.0122 (4) | 1.2028 (3) | 0.9217 (3) | 0.0664 (10) | |
| H27A | 1.0144 | 1.2781 | 0.9418 | 0.080* | |
| C28 | 0.9189 (3) | 1.1124 (3) | 0.8327 (3) | 0.0662 (9) | |
| H28A | 0.8623 | 1.1293 | 0.7942 | 0.079* | |
| C29 | 0.9114 (3) | 1.0020 (3) | 0.8034 (2) | 0.0518 (8) | |
| H29A | 0.8488 | 0.9434 | 0.7458 | 0.062* | |
| C30 | 0.9994 (3) | 0.9749 (2) | 0.8606 (2) | 0.0441 (7) | |
| C31 | 0.4199 (3) | 0.4836 (2) | 0.6572 (2) | 0.0398 (6) | |
| C32 | 0.3754 (2) | 0.4597 (2) | 0.7333 (2) | 0.0405 (6) | |
| C33 | 0.4244 (3) | 0.5438 (3) | 0.8357 (2) | 0.0432 (7) | |
| C34 | 0.5145 (3) | 0.6538 (3) | 0.8742 (2) | 0.0510 (7) | |
| H34A | 0.5438 | 0.6736 | 0.8304 | 0.061* | |
| C35 | 0.5585 (3) | 0.7305 (3) | 0.9737 (2) | 0.0606 (9) | |
| H35A | 0.6169 | 0.8017 | 0.9963 | 0.073* | |
| C36 | 0.5174 (3) | 0.7041 (3) | 1.0432 (3) | 0.0646 (9) | |
| H36A | 0.5497 | 0.7566 | 1.1112 | 0.078* | |
| C37 | 0.4315 (3) | 0.6030 (3) | 1.0101 (3) | 0.0620 (9) | |
| H37A | 0.4040 | 0.5864 | 1.0560 | 0.074* | |
| C38 | 0.3804 (3) | 0.5196 (3) | 0.9068 (2) | 0.0506 (7) | |
| C39 | 0.2918 (3) | 0.4143 (3) | 0.8735 (3) | 0.0610 (9) | |
| H39A | 0.2636 | 0.3992 | 0.9198 | 0.073* | |
| C40 | 0.2441 (3) | 0.3311 (3) | 0.7739 (3) | 0.0548 (8) | |
| C41 | 0.1542 (4) | 0.2229 (4) | 0.7433 (4) | 0.0769 (11) | |
| H41A | 0.1273 | 0.2088 | 0.7905 | 0.092* | |
| C42 | 0.1084 (4) | 0.1412 (4) | 0.6463 (4) | 0.0841 (13) | |
| H42A | 0.0496 | 0.0714 | 0.6269 | 0.101* | |
| C43 | 0.1487 (3) | 0.1611 (3) | 0.5753 (3) | 0.0732 (11) | |
| H43A | 0.1166 | 0.1035 | 0.5090 | 0.088* | |
| C44 | 0.2334 (3) | 0.2621 (3) | 0.6001 (3) | 0.0572 (8) | |
| H44A | 0.2581 | 0.2723 | 0.5505 | 0.069* | |
| C45 | 0.2853 (3) | 0.3533 (3) | 0.7012 (2) | 0.0466 (7) | |
| C46 | 0.8254 (3) | 0.4121 (3) | 0.4462 (2) | 0.0567 (8) | |
| H46A | 0.7874 | 0.4405 | 0.4067 | 0.068* | |
| C47 | 0.8931 (3) | 0.3470 (3) | 0.4104 (3) | 0.0637 (9) | |
| H47A | 0.8997 | 0.3313 | 0.3480 | 0.076* | |
| C48 | 0.9498 (4) | 0.3063 (3) | 0.4680 (3) | 0.0731 (11) | |
| H48A | 0.9977 | 0.2637 | 0.4464 | 0.088* | |
| C49 | 0.9358 (3) | 0.3287 (3) | 0.5586 (3) | 0.0682 (10) | |
| H49A | 0.9728 | 0.2999 | 0.5982 | 0.082* | |
| C50 | 0.8664 (3) | 0.3944 (2) | 0.5909 (2) | 0.0478 (7) | |
| C51 | 0.8494 (3) | 0.4215 (2) | 0.6884 (2) | 0.0482 (7) | |
| C52 | 0.9075 (4) | 0.3890 (4) | 0.7559 (3) | 0.0806 (12) | |
| H52A | 0.9579 | 0.3472 | 0.7400 | 0.097* | |
| C53 | 0.8904 (4) | 0.4186 (4) | 0.8458 (3) | 0.0865 (13) | |
| H53A | 0.9299 | 0.3979 | 0.8915 | 0.104* | |
| C54 | 0.8158 (4) | 0.4782 (3) | 0.8680 (3) | 0.0648 (9) | |
| H54A | 0.8026 | 0.4985 | 0.9286 | 0.078* | |
| C55 | 0.7601 (3) | 0.5081 (3) | 0.7987 (2) | 0.0530 (8) | |
| H55A | 0.7089 | 0.5492 | 0.8140 | 0.064* | |
| N1 | 0.7758 (2) | 0.4809 (2) | 0.71062 (18) | 0.0458 (6) | |
| N2 | 0.8112 (2) | 0.4367 (2) | 0.53454 (18) | 0.0477 (6) | |
| O1 | 0.53299 (17) | 0.53114 (18) | 0.68098 (14) | 0.0478 (5) | |
| O2 | 0.51838 (17) | 0.38292 (15) | 0.47574 (14) | 0.0429 (5) | |
| O3 | 0.3521 (2) | 0.23338 (18) | 0.3940 (2) | 0.0691 (7) | |
| O4 | 0.79298 (19) | 0.73251 (18) | 0.77239 (15) | 0.0539 (5) | |
| O5 | 0.65790 (17) | 0.54654 (17) | 0.42597 (14) | 0.0463 (5) | |
| O6 | 0.88922 (19) | 0.7120 (2) | 0.66595 (16) | 0.0647 (7) |
| La1 | 0.02422 (9) | 0.03431 (10) | 0.03495 (10) | 0.00919 (7) | 0.00716 (7) | 0.01018 (7) |
| C1 | 0.0407 (16) | 0.0328 (14) | 0.0416 (15) | 0.0117 (13) | 0.0086 (13) | 0.0118 (12) |
| C2 | 0.0337 (15) | 0.0296 (13) | 0.0490 (16) | 0.0089 (11) | 0.0086 (13) | 0.0120 (12) |
| C3 | 0.0426 (16) | 0.0338 (14) | 0.0514 (17) | 0.0087 (13) | 0.0115 (14) | 0.0127 (13) |
| C4 | 0.064 (2) | 0.056 (2) | 0.057 (2) | 0.0152 (17) | 0.0173 (17) | 0.0218 (17) |
| C5 | 0.090 (3) | 0.077 (3) | 0.062 (2) | 0.018 (2) | 0.032 (2) | 0.025 (2) |
| C6 | 0.097 (3) | 0.075 (3) | 0.080 (3) | 0.025 (3) | 0.052 (3) | 0.016 (2) |
| C7 | 0.075 (3) | 0.065 (2) | 0.093 (3) | 0.035 (2) | 0.046 (2) | 0.023 (2) |
| C8 | 0.0467 (18) | 0.0410 (16) | 0.070 (2) | 0.0174 (14) | 0.0216 (16) | 0.0167 (15) |
| C9 | 0.0497 (19) | 0.0471 (18) | 0.086 (3) | 0.0260 (16) | 0.0185 (18) | 0.0275 (18) |
| C10 | 0.0399 (17) | 0.0426 (16) | 0.066 (2) | 0.0122 (14) | 0.0061 (15) | 0.0253 (15) |
| C11 | 0.053 (2) | 0.062 (2) | 0.081 (3) | 0.0163 (18) | 0.0016 (19) | 0.040 (2) |
| C12 | 0.069 (3) | 0.078 (3) | 0.065 (2) | 0.009 (2) | 0.005 (2) | 0.042 (2) |
| C13 | 0.070 (2) | 0.068 (2) | 0.055 (2) | 0.012 (2) | 0.0168 (18) | 0.0258 (18) |
| C14 | 0.0515 (19) | 0.0472 (17) | 0.0571 (19) | 0.0133 (15) | 0.0149 (16) | 0.0205 (15) |
| C15 | 0.0345 (15) | 0.0336 (14) | 0.0507 (17) | 0.0076 (12) | 0.0062 (13) | 0.0148 (13) |
| C16 | 0.0257 (14) | 0.0412 (15) | 0.0504 (17) | 0.0108 (12) | 0.0085 (12) | 0.0166 (13) |
| C17 | 0.0319 (15) | 0.0437 (16) | 0.0445 (16) | 0.0089 (12) | 0.0115 (13) | 0.0123 (13) |
| C18 | 0.0317 (15) | 0.0540 (18) | 0.0555 (18) | 0.0139 (14) | 0.0116 (14) | 0.0216 (15) |
| C19 | 0.0448 (19) | 0.056 (2) | 0.079 (2) | 0.0209 (16) | 0.0081 (17) | 0.0194 (18) |
| C20 | 0.074 (3) | 0.080 (3) | 0.110 (3) | 0.048 (2) | 0.018 (3) | 0.038 (3) |
| C21 | 0.061 (3) | 0.097 (3) | 0.101 (3) | 0.046 (2) | 0.005 (2) | 0.034 (3) |
| C22 | 0.0365 (18) | 0.086 (3) | 0.069 (2) | 0.0188 (18) | −0.0009 (17) | 0.027 (2) |
| C23 | 0.0316 (15) | 0.059 (2) | 0.0506 (17) | 0.0093 (14) | 0.0103 (13) | 0.0217 (15) |
| C24 | 0.0334 (15) | 0.0551 (19) | 0.0411 (16) | 0.0009 (14) | 0.0056 (13) | 0.0144 (14) |
| C25 | 0.0396 (16) | 0.0440 (16) | 0.0381 (15) | 0.0003 (13) | 0.0121 (13) | 0.0155 (13) |
| C26 | 0.057 (2) | 0.0443 (17) | 0.0518 (18) | 0.0040 (15) | 0.0138 (16) | 0.0183 (15) |
| C27 | 0.080 (3) | 0.0425 (18) | 0.070 (2) | 0.0149 (18) | 0.019 (2) | 0.0273 (17) |
| C28 | 0.062 (2) | 0.066 (2) | 0.071 (2) | 0.0210 (18) | 0.0108 (19) | 0.0391 (19) |
| C29 | 0.0437 (17) | 0.0533 (18) | 0.0469 (17) | 0.0085 (14) | 0.0063 (14) | 0.0225 (15) |
| C30 | 0.0372 (15) | 0.0477 (16) | 0.0400 (15) | 0.0062 (13) | 0.0111 (13) | 0.0195 (13) |
| C31 | 0.0392 (16) | 0.0403 (15) | 0.0402 (15) | 0.0177 (13) | 0.0162 (13) | 0.0157 (12) |
| C32 | 0.0314 (14) | 0.0476 (16) | 0.0484 (16) | 0.0188 (13) | 0.0147 (13) | 0.0250 (13) |
| C33 | 0.0378 (15) | 0.0534 (17) | 0.0501 (16) | 0.0233 (14) | 0.0197 (13) | 0.0288 (14) |
| C34 | 0.0517 (18) | 0.0562 (18) | 0.0481 (17) | 0.0194 (15) | 0.0232 (15) | 0.0239 (15) |
| C35 | 0.055 (2) | 0.064 (2) | 0.0520 (19) | 0.0182 (17) | 0.0194 (16) | 0.0186 (16) |
| C36 | 0.063 (2) | 0.080 (3) | 0.0449 (18) | 0.031 (2) | 0.0173 (17) | 0.0215 (18) |
| C37 | 0.067 (2) | 0.086 (3) | 0.0514 (19) | 0.036 (2) | 0.0290 (18) | 0.0400 (19) |
| C38 | 0.0497 (18) | 0.064 (2) | 0.0537 (18) | 0.0286 (16) | 0.0238 (15) | 0.0348 (16) |
| C39 | 0.062 (2) | 0.076 (2) | 0.070 (2) | 0.0271 (19) | 0.0358 (18) | 0.050 (2) |
| C40 | 0.0447 (17) | 0.0577 (19) | 0.076 (2) | 0.0205 (15) | 0.0251 (17) | 0.0416 (18) |
| C41 | 0.063 (2) | 0.073 (3) | 0.108 (3) | 0.015 (2) | 0.036 (2) | 0.057 (3) |
| C42 | 0.064 (3) | 0.058 (2) | 0.117 (4) | 0.003 (2) | 0.022 (3) | 0.042 (3) |
| C43 | 0.056 (2) | 0.054 (2) | 0.082 (3) | 0.0096 (18) | 0.008 (2) | 0.0211 (19) |
| C44 | 0.0427 (18) | 0.0528 (19) | 0.068 (2) | 0.0162 (15) | 0.0133 (16) | 0.0241 (16) |
| C45 | 0.0339 (15) | 0.0495 (17) | 0.0608 (18) | 0.0194 (13) | 0.0159 (14) | 0.0276 (15) |
| C46 | 0.0452 (18) | 0.067 (2) | 0.0551 (19) | 0.0247 (16) | 0.0202 (15) | 0.0216 (16) |
| C47 | 0.053 (2) | 0.069 (2) | 0.065 (2) | 0.0260 (18) | 0.0319 (18) | 0.0183 (18) |
| C48 | 0.065 (2) | 0.075 (2) | 0.099 (3) | 0.046 (2) | 0.048 (2) | 0.037 (2) |
| C49 | 0.066 (2) | 0.073 (2) | 0.090 (3) | 0.047 (2) | 0.042 (2) | 0.041 (2) |
| C50 | 0.0342 (15) | 0.0405 (16) | 0.0613 (19) | 0.0153 (13) | 0.0123 (14) | 0.0181 (14) |
| C51 | 0.0399 (16) | 0.0421 (16) | 0.0556 (18) | 0.0166 (13) | 0.0095 (14) | 0.0193 (14) |
| C52 | 0.097 (3) | 0.090 (3) | 0.077 (3) | 0.066 (3) | 0.029 (2) | 0.043 (2) |
| C53 | 0.113 (4) | 0.097 (3) | 0.072 (3) | 0.064 (3) | 0.025 (3) | 0.051 (2) |
| C54 | 0.072 (2) | 0.068 (2) | 0.0527 (19) | 0.0237 (19) | 0.0171 (18) | 0.0290 (17) |
| C55 | 0.0466 (18) | 0.0565 (19) | 0.0508 (18) | 0.0193 (15) | 0.0131 (15) | 0.0218 (15) |
| N1 | 0.0374 (13) | 0.0460 (14) | 0.0504 (14) | 0.0164 (11) | 0.0131 (11) | 0.0195 (11) |
| N2 | 0.0338 (13) | 0.0489 (14) | 0.0506 (14) | 0.0163 (11) | 0.0147 (11) | 0.0129 (12) |
| O1 | 0.0324 (11) | 0.0619 (13) | 0.0439 (11) | 0.0120 (9) | 0.0152 (9) | 0.0212 (10) |
| O2 | 0.0362 (10) | 0.0302 (10) | 0.0521 (11) | 0.0110 (8) | 0.0116 (9) | 0.0120 (9) |
| O3 | 0.0373 (13) | 0.0405 (12) | 0.0923 (18) | 0.0074 (10) | −0.0081 (12) | 0.0162 (12) |
| O4 | 0.0465 (12) | 0.0508 (12) | 0.0424 (11) | 0.0008 (10) | 0.0138 (10) | 0.0106 (9) |
| O5 | 0.0364 (11) | 0.0573 (12) | 0.0421 (11) | 0.0165 (9) | 0.0117 (9) | 0.0214 (10) |
| O6 | 0.0363 (12) | 0.0677 (14) | 0.0507 (13) | 0.0010 (10) | 0.0174 (10) | −0.0016 (11) |
| La1—O2 | 2.4561 (18) | C26—C27 | 1.335 (5) |
| La1—O5 | 2.4574 (19) | C26—H26A | 0.9300 |
| La1—O1 | 2.4974 (18) | C27—C28 | 1.419 (5) |
| La1—O6 | 2.522 (2) | C27—H27A | 0.9300 |
| La1—O4 | 2.535 (2) | C28—C29 | 1.350 (5) |
| La1—O2i | 2.6750 (19) | C28—H28A | 0.9300 |
| La1—O3i | 2.687 (2) | C29—C30 | 1.429 (4) |
| La1—N1 | 2.730 (2) | C29—H29A | 0.9300 |
| La1—N2 | 2.741 (2) | C31—O5i | 1.254 (3) |
| La1—C16 | 2.886 (3) | C31—O1 | 1.270 (3) |
| La1—C1i | 3.064 (3) | C31—C32 | 1.512 (4) |
| La1—La1i | 4.0880 (4) | C32—C45 | 1.411 (4) |
| C1—O3 | 1.238 (3) | C32—C33 | 1.416 (4) |
| C1—O2 | 1.268 (3) | C33—C34 | 1.426 (4) |
| C1—C2 | 1.508 (4) | C33—C38 | 1.439 (4) |
| C1—La1i | 3.064 (3) | C34—C35 | 1.360 (4) |
| C2—C15 | 1.400 (4) | C34—H34A | 0.9300 |
| C2—C3 | 1.406 (4) | C35—C36 | 1.413 (5) |
| C3—C4 | 1.421 (5) | C35—H35A | 0.9300 |
| C3—C8 | 1.435 (4) | C36—C37 | 1.334 (5) |
| C4—C5 | 1.358 (5) | C36—H36A | 0.9300 |
| C4—H4A | 0.9300 | C37—C38 | 1.423 (5) |
| C5—C6 | 1.411 (7) | C37—H37A | 0.9300 |
| C5—H5A | 0.9300 | C38—C39 | 1.388 (5) |
| C6—C7 | 1.339 (6) | C39—C40 | 1.383 (5) |
| C6—H6A | 0.9300 | C39—H39A | 0.9300 |
| C7—C8 | 1.430 (5) | C40—C41 | 1.432 (5) |
| C7—H7A | 0.9300 | C40—C45 | 1.433 (4) |
| C8—C9 | 1.382 (5) | C41—C42 | 1.350 (6) |
| C9—C10 | 1.392 (5) | C41—H41A | 0.9300 |
| C9—H9A | 0.9300 | C42—C43 | 1.389 (6) |
| C10—C11 | 1.423 (5) | C42—H42A | 0.9300 |
| C10—C15 | 1.434 (4) | C43—C44 | 1.358 (5) |
| C11—C12 | 1.345 (6) | C43—H43A | 0.9300 |
| C11—H11A | 0.9300 | C44—C45 | 1.432 (4) |
| C12—C13 | 1.406 (6) | C44—H44A | 0.9300 |
| C12—H12A | 0.9300 | C46—N2 | 1.334 (4) |
| C13—C14 | 1.352 (5) | C46—C47 | 1.378 (5) |
| C13—H13A | 0.9300 | C46—H46A | 0.9300 |
| C14—C15 | 1.419 (4) | C47—C48 | 1.355 (5) |
| C14—H14A | 0.9300 | C47—H47A | 0.9300 |
| C16—O6 | 1.240 (3) | C48—C49 | 1.371 (5) |
| C16—O4 | 1.267 (3) | C48—H48A | 0.9300 |
| C16—C17 | 1.510 (4) | C49—C50 | 1.386 (4) |
| C17—C18 | 1.403 (4) | C49—H49A | 0.9300 |
| C17—C30 | 1.403 (4) | C50—N2 | 1.350 (4) |
| C18—C19 | 1.414 (5) | C50—C51 | 1.481 (4) |
| C18—C23 | 1.436 (4) | C51—N1 | 1.341 (4) |
| C19—C20 | 1.355 (5) | C51—C52 | 1.391 (5) |
| C19—H19A | 0.9300 | C52—C53 | 1.366 (6) |
| C20—C21 | 1.403 (6) | C52—H52A | 0.9300 |
| C20—H20A | 0.9300 | C53—C54 | 1.353 (6) |
| C21—C22 | 1.333 (6) | C53—H53A | 0.9300 |
| C21—H21A | 0.9300 | C54—C55 | 1.376 (5) |
| C22—C23 | 1.424 (5) | C54—H54A | 0.9300 |
| C22—H22A | 0.9300 | C55—N1 | 1.336 (4) |
| C23—C24 | 1.375 (5) | C55—H55A | 0.9300 |
| C24—C25 | 1.405 (4) | O2—La1i | 2.6750 (19) |
| C24—H24A | 0.9300 | O3—La1i | 2.687 (2) |
| C25—C26 | 1.418 (4) | O5—C31i | 1.254 (3) |
| C25—C30 | 1.433 (4) | ||
| O2—La1—O5 | 73.16 (7) | C20—C19—C18 | 121.2 (3) |
| O2—La1—O1 | 73.15 (6) | C20—C19—H19A | 119.4 |
| O5—La1—O1 | 135.97 (6) | C18—C19—H19A | 119.4 |
| O2—La1—O6 | 151.98 (7) | C19—C20—C21 | 120.6 (4) |
| O5—La1—O6 | 90.68 (7) | C19—C20—H20A | 119.7 |
| O1—La1—O6 | 130.65 (7) | C21—C20—H20A | 119.7 |
| O2—La1—O4 | 151.37 (7) | C22—C21—C20 | 120.7 (4) |
| O5—La1—O4 | 135.00 (7) | C22—C21—H21A | 119.7 |
| O1—La1—O4 | 79.76 (6) | C20—C21—H21A | 119.7 |
| O6—La1—O4 | 51.39 (7) | C21—C22—C23 | 121.4 (4) |
| O2—La1—O2i | 74.44 (6) | C21—C22—H22A | 119.3 |
| O5—La1—O2i | 71.53 (6) | C23—C22—H22A | 119.3 |
| O1—La1—O2i | 72.74 (6) | C24—C23—C22 | 122.3 (3) |
| O6—La1—O2i | 122.70 (7) | C24—C23—C18 | 119.4 (3) |
| O4—La1—O2i | 106.39 (7) | C22—C23—C18 | 118.2 (3) |
| O2—La1—O3i | 121.09 (6) | C23—C24—C25 | 122.2 (3) |
| O5—La1—O3i | 77.60 (8) | C23—C24—H24A | 118.9 |
| O1—La1—O3i | 96.65 (8) | C25—C24—H24A | 118.9 |
| O6—La1—O3i | 75.51 (8) | C24—C25—C26 | 122.1 (3) |
| O4—La1—O3i | 70.62 (7) | C24—C25—C30 | 119.0 (3) |
| O2i—La1—O3i | 47.91 (6) | C26—C25—C30 | 118.9 (3) |
| O2—La1—N1 | 91.57 (7) | C27—C26—C25 | 120.8 (3) |
| O5—La1—N1 | 134.60 (7) | C27—C26—H26A | 119.6 |
| O1—La1—N1 | 73.52 (7) | C25—C26—H26A | 119.6 |
| O6—La1—N1 | 83.64 (8) | C26—C27—C28 | 121.0 (3) |
| O4—La1—N1 | 71.68 (7) | C26—C27—H27A | 119.5 |
| O2i—La1—N1 | 145.95 (7) | C28—C27—H27A | 119.5 |
| O3i—La1—N1 | 142.16 (7) | C29—C28—C27 | 120.7 (3) |
| O2—La1—N2 | 78.12 (7) | C29—C28—H28A | 119.7 |
| O5—La1—N2 | 75.60 (7) | C27—C28—H28A | 119.7 |
| O1—La1—N2 | 123.19 (7) | C28—C29—C30 | 120.3 (3) |
| O6—La1—N2 | 75.71 (7) | C28—C29—H29A | 119.8 |
| O4—La1—N2 | 110.34 (7) | C30—C29—H29A | 119.8 |
| O2i—La1—N2 | 141.93 (7) | C17—C30—C29 | 122.9 (3) |
| O3i—La1—N2 | 140.02 (8) | C17—C30—C25 | 118.8 (3) |
| N1—La1—N2 | 59.30 (7) | C29—C30—C25 | 118.3 (3) |
| O2—La1—C16 | 167.67 (7) | O5i—C31—O1 | 124.4 (3) |
| O5—La1—C16 | 113.22 (8) | O5i—C31—C32 | 117.3 (2) |
| O1—La1—C16 | 105.56 (7) | O1—C31—C32 | 118.3 (2) |
| O6—La1—C16 | 25.37 (7) | C45—C32—C33 | 120.7 (3) |
| O4—La1—C16 | 26.01 (7) | C45—C32—C31 | 119.4 (3) |
| O2i—La1—C16 | 117.24 (7) | C33—C32—C31 | 119.9 (2) |
| O3i—La1—C16 | 71.17 (7) | C32—C33—C34 | 124.3 (3) |
| N1—La1—C16 | 76.45 (8) | C32—C33—C38 | 119.1 (3) |
| N2—La1—C16 | 93.00 (8) | C34—C33—C38 | 116.6 (3) |
| O2—La1—C1i | 98.51 (7) | C35—C34—C33 | 121.4 (3) |
| O5—La1—C1i | 74.95 (7) | C35—C34—H34A | 119.3 |
| O1—La1—C1i | 82.90 (7) | C33—C34—H34A | 119.3 |
| O6—La1—C1i | 99.13 (8) | C34—C35—C36 | 121.4 (3) |
| O4—La1—C1i | 87.00 (8) | C34—C35—H35A | 119.3 |
| O2i—La1—C1i | 24.33 (6) | C36—C35—H35A | 119.3 |
| O3i—La1—C1i | 23.71 (7) | C37—C36—C35 | 119.1 (3) |
| N1—La1—C1i | 150.44 (7) | C37—C36—H36A | 120.4 |
| N2—La1—C1i | 150.03 (8) | C35—C36—H36A | 120.4 |
| C16—La1—C1i | 93.44 (8) | C36—C37—C38 | 122.3 (3) |
| O2—La1—La1i | 39.08 (4) | C36—C37—H37A | 118.8 |
| O5—La1—La1i | 67.58 (5) | C38—C37—H37A | 118.8 |
| O1—La1—La1i | 68.39 (4) | C39—C38—C37 | 121.7 (3) |
| O6—La1—La1i | 152.12 (6) | C39—C38—C33 | 119.2 (3) |
| O4—La1—La1i | 135.40 (5) | C37—C38—C33 | 119.1 (3) |
| O2i—La1—La1i | 35.37 (4) | C40—C39—C38 | 122.3 (3) |
| O3i—La1—La1i | 82.63 (4) | C40—C39—H39A | 118.9 |
| N1—La1—La1i | 123.96 (5) | C38—C39—H39A | 118.9 |
| N2—La1—La1i | 113.04 (5) | C39—C40—C41 | 120.3 (3) |
| C16—La1—La1i | 152.43 (6) | C39—C40—C45 | 119.7 (3) |
| C1i—La1—La1i | 59.52 (5) | C41—C40—C45 | 119.9 (3) |
| O3—C1—O2 | 120.6 (3) | C42—C41—C40 | 120.4 (4) |
| O3—C1—C2 | 121.4 (2) | C42—C41—H41A | 119.8 |
| O2—C1—C2 | 118.0 (2) | C40—C41—H41A | 119.8 |
| O3—C1—La1i | 60.80 (16) | C41—C42—C43 | 120.2 (4) |
| O2—C1—La1i | 60.37 (14) | C41—C42—H42A | 119.9 |
| C2—C1—La1i | 172.5 (2) | C43—C42—H42A | 119.9 |
| C15—C2—C3 | 121.4 (3) | C44—C43—C42 | 121.9 (4) |
| C15—C2—C1 | 119.7 (3) | C44—C43—H43A | 119.1 |
| C3—C2—C1 | 119.0 (3) | C42—C43—H43A | 119.1 |
| C2—C3—C4 | 122.8 (3) | C43—C44—C45 | 121.1 (3) |
| C2—C3—C8 | 118.6 (3) | C43—C44—H44A | 119.5 |
| C4—C3—C8 | 118.6 (3) | C45—C44—H44A | 119.5 |
| C5—C4—C3 | 121.1 (4) | C32—C45—C44 | 124.5 (3) |
| C5—C4—H4A | 119.4 | C32—C45—C40 | 119.0 (3) |
| C3—C4—H4A | 119.4 | C44—C45—C40 | 116.5 (3) |
| C4—C5—C6 | 120.0 (4) | N2—C46—C47 | 123.7 (3) |
| C4—C5—H5A | 120.0 | N2—C46—H46A | 118.2 |
| C6—C5—H5A | 120.0 | C47—C46—H46A | 118.2 |
| C7—C6—C5 | 121.2 (4) | C48—C47—C46 | 118.6 (3) |
| C7—C6—H6A | 119.4 | C48—C47—H47A | 120.7 |
| C5—C6—H6A | 119.4 | C46—C47—H47A | 120.7 |
| C6—C7—C8 | 121.2 (4) | C47—C48—C49 | 119.2 (3) |
| C6—C7—H7A | 119.4 | C47—C48—H48A | 120.4 |
| C8—C7—H7A | 119.4 | C49—C48—H48A | 120.4 |
| C9—C8—C7 | 122.7 (3) | C48—C49—C50 | 119.8 (4) |
| C9—C8—C3 | 119.5 (3) | C48—C49—H49A | 120.1 |
| C7—C8—C3 | 117.9 (3) | C50—C49—H49A | 120.1 |
| C8—C9—C10 | 122.5 (3) | N2—C50—C49 | 121.2 (3) |
| C8—C9—H9A | 118.8 | N2—C50—C51 | 117.1 (3) |
| C10—C9—H9A | 118.8 | C49—C50—C51 | 121.7 (3) |
| C9—C10—C11 | 122.6 (3) | N1—C51—C52 | 120.4 (3) |
| C9—C10—C15 | 118.6 (3) | N1—C51—C50 | 117.1 (3) |
| C11—C10—C15 | 118.8 (3) | C52—C51—C50 | 122.5 (3) |
| C12—C11—C10 | 121.2 (4) | C53—C52—C51 | 119.9 (4) |
| C12—C11—H11A | 119.4 | C53—C52—H52A | 120.1 |
| C10—C11—H11A | 119.4 | C51—C52—H52A | 120.1 |
| C11—C12—C13 | 120.2 (4) | C54—C53—C52 | 119.7 (4) |
| C11—C12—H12A | 119.9 | C54—C53—H53A | 120.2 |
| C13—C12—H12A | 119.9 | C52—C53—H53A | 120.2 |
| C14—C13—C12 | 120.9 (4) | C53—C54—C55 | 118.3 (4) |
| C14—C13—H13A | 119.6 | C53—C54—H54A | 120.8 |
| C12—C13—H13A | 119.6 | C55—C54—H54A | 120.8 |
| C13—C14—C15 | 121.4 (3) | N1—C55—C54 | 123.2 (3) |
| C13—C14—H14A | 119.3 | N1—C55—H55A | 118.4 |
| C15—C14—H14A | 119.3 | C54—C55—H55A | 118.4 |
| C2—C15—C14 | 123.0 (3) | C55—N1—C51 | 118.5 (3) |
| C2—C15—C10 | 119.4 (3) | C55—N1—La1 | 117.7 (2) |
| C14—C15—C10 | 117.6 (3) | C51—N1—La1 | 123.5 (2) |
| O6—C16—O4 | 122.0 (2) | C46—N2—C50 | 117.5 (3) |
| O6—C16—C17 | 120.7 (3) | C46—N2—La1 | 119.7 (2) |
| O4—C16—C17 | 117.3 (3) | C50—N2—La1 | 122.81 (19) |
| O6—C16—La1 | 60.64 (14) | C31—O1—La1 | 137.62 (17) |
| O4—C16—La1 | 61.34 (14) | C1—O2—La1 | 157.44 (19) |
| C17—C16—La1 | 178.3 (2) | C1—O2—La1i | 95.30 (17) |
| C18—C17—C30 | 121.5 (3) | La1—O2—La1i | 105.56 (6) |
| C18—C17—C16 | 118.8 (3) | C1—O3—La1i | 95.49 (17) |
| C30—C17—C16 | 119.5 (3) | C16—O4—La1 | 92.64 (16) |
| C17—C18—C19 | 123.1 (3) | C31i—O5—La1 | 141.40 (18) |
| C17—C18—C23 | 118.9 (3) | C16—O6—La1 | 93.99 (16) |
| C19—C18—C23 | 118.0 (3) | ||
| O3—C1—C2—C15 | −92.3 (4) | C49—C50—C51—N1 | −176.9 (3) |
| O2—C1—C2—C15 | 87.7 (3) | N2—C50—C51—C52 | −175.9 (3) |
| O3—C1—C2—C3 | 88.3 (4) | C49—C50—C51—C52 | 4.0 (5) |
| O2—C1—C2—C3 | −91.8 (3) | N1—C51—C52—C53 | −0.5 (6) |
| C15—C2—C3—C4 | −178.7 (3) | C50—C51—C52—C53 | 178.5 (4) |
| C1—C2—C3—C4 | 0.8 (4) | C51—C52—C53—C54 | 0.7 (7) |
| C15—C2—C3—C8 | 0.4 (4) | C52—C53—C54—C55 | −0.6 (7) |
| C1—C2—C3—C8 | 179.9 (3) | C53—C54—C55—N1 | 0.1 (6) |
| C2—C3—C4—C5 | 178.7 (3) | C54—C55—N1—C51 | 0.1 (5) |
| C8—C3—C4—C5 | −0.4 (5) | C54—C55—N1—La1 | −173.1 (3) |
| C3—C4—C5—C6 | 0.8 (6) | C52—C51—N1—C55 | 0.1 (5) |
| C4—C5—C6—C7 | −0.3 (7) | C50—C51—N1—C55 | −179.0 (3) |
| C5—C6—C7—C8 | −0.6 (7) | C52—C51—N1—La1 | 172.9 (3) |
| C6—C7—C8—C9 | −179.2 (4) | C50—C51—N1—La1 | −6.2 (4) |
| C6—C7—C8—C3 | 0.9 (6) | O2—La1—N1—C55 | −107.2 (2) |
| C2—C3—C8—C9 | 0.5 (4) | O5—La1—N1—C55 | −174.87 (19) |
| C4—C3—C8—C9 | 179.7 (3) | O1—La1—N1—C55 | −35.3 (2) |
| C2—C3—C8—C7 | −179.6 (3) | O6—La1—N1—C55 | 100.5 (2) |
| C4—C3—C8—C7 | −0.5 (4) | O4—La1—N1—C55 | 49.1 (2) |
| C7—C8—C9—C10 | 179.3 (3) | O2i—La1—N1—C55 | −43.2 (3) |
| C3—C8—C9—C10 | −0.9 (5) | O3i—La1—N1—C55 | 44.1 (3) |
| C8—C9—C10—C11 | 178.5 (3) | N2—La1—N1—C55 | 177.6 (2) |
| C8—C9—C10—C15 | 0.2 (5) | C16—La1—N1—C55 | 75.7 (2) |
| C9—C10—C11—C12 | −179.6 (3) | C1i—La1—N1—C55 | 3.2 (3) |
| C15—C10—C11—C12 | −1.3 (5) | La1i—La1—N1—C55 | −83.8 (2) |
| C10—C11—C12—C13 | −0.2 (6) | O2—La1—N1—C51 | 79.9 (2) |
| C11—C12—C13—C14 | 1.2 (6) | O5—La1—N1—C51 | 12.2 (3) |
| C12—C13—C14—C15 | −0.6 (5) | O1—La1—N1—C51 | 151.8 (2) |
| C3—C2—C15—C14 | 179.6 (3) | O6—La1—N1—C51 | −72.4 (2) |
| C1—C2—C15—C14 | 0.1 (4) | O4—La1—N1—C51 | −123.8 (2) |
| C3—C2—C15—C10 | −1.1 (4) | O2i—La1—N1—C51 | 143.9 (2) |
| C1—C2—C15—C10 | 179.5 (2) | O3i—La1—N1—C51 | −128.8 (2) |
| C13—C14—C15—C2 | 178.5 (3) | N2—La1—N1—C51 | 4.7 (2) |
| C13—C14—C15—C10 | −0.8 (4) | C16—La1—N1—C51 | −97.2 (2) |
| C9—C10—C15—C2 | 0.8 (4) | C1i—La1—N1—C51 | −169.7 (2) |
| C11—C10—C15—C2 | −177.6 (3) | La1i—La1—N1—C51 | 103.3 (2) |
| C9—C10—C15—C14 | −179.9 (3) | C47—C46—N2—C50 | −0.3 (5) |
| C11—C10—C15—C14 | 1.8 (4) | C47—C46—N2—La1 | 179.0 (3) |
| O2—La1—C16—O6 | 90.1 (4) | C49—C50—N2—C46 | 0.5 (4) |
| O5—La1—C16—O6 | −29.0 (2) | C51—C50—N2—C46 | −179.6 (3) |
| O1—La1—C16—O6 | 172.30 (19) | C49—C50—N2—La1 | −178.8 (2) |
| O4—La1—C16—O6 | 179.9 (3) | C51—C50—N2—La1 | 1.1 (3) |
| O2i—La1—C16—O6 | −109.4 (2) | O2—La1—N2—C46 | 78.9 (2) |
| O3i—La1—C16—O6 | −95.9 (2) | O5—La1—N2—C46 | 3.4 (2) |
| N1—La1—C16—O6 | 104.0 (2) | O1—La1—N2—C46 | 139.4 (2) |
| N2—La1—C16—O6 | 46.6 (2) | O6—La1—N2—C46 | −91.0 (2) |
| C1i—La1—C16—O6 | −104.1 (2) | O4—La1—N2—C46 | −129.7 (2) |
| La1i—La1—C16—O6 | −114.7 (2) | O2i—La1—N2—C46 | 34.3 (3) |
| O2—La1—C16—O4 | −89.8 (4) | O3i—La1—N2—C46 | −45.9 (3) |
| O5—La1—C16—O4 | 151.05 (17) | N1—La1—N2—C46 | 177.9 (2) |
| O1—La1—C16—O4 | −7.62 (19) | C16—La1—N2—C46 | −109.8 (2) |
| O6—La1—C16—O4 | −179.9 (3) | C1i—La1—N2—C46 | −7.6 (3) |
| O2i—La1—C16—O4 | 70.66 (19) | La1i—La1—N2—C46 | 61.0 (2) |
| O3i—La1—C16—O4 | 84.21 (18) | O2—La1—N2—C50 | −101.9 (2) |
| N1—La1—C16—O4 | −75.91 (18) | O5—La1—N2—C50 | −177.3 (2) |
| N2—La1—C16—O4 | −133.33 (18) | O1—La1—N2—C50 | −41.3 (2) |
| C1i—La1—C16—O4 | 75.96 (18) | O6—La1—N2—C50 | 88.2 (2) |
| La1i—La1—C16—O4 | 65.3 (2) | O4—La1—N2—C50 | 49.6 (2) |
| O6—C16—C17—C18 | −84.6 (4) | O2i—La1—N2—C50 | −146.37 (19) |
| O4—C16—C17—C18 | 94.2 (3) | O3i—La1—N2—C50 | 133.4 (2) |
| O6—C16—C17—C30 | 99.8 (4) | N1—La1—N2—C50 | −2.8 (2) |
| O4—C16—C17—C30 | −81.4 (4) | C16—La1—N2—C50 | 69.5 (2) |
| C30—C17—C18—C19 | −177.4 (3) | C1i—La1—N2—C50 | 171.70 (19) |
| C16—C17—C18—C19 | 7.1 (5) | La1i—La1—N2—C50 | −119.8 (2) |
| C30—C17—C18—C23 | 3.7 (4) | O5i—C31—O1—La1 | −10.6 (5) |
| C16—C17—C18—C23 | −171.8 (3) | C32—C31—O1—La1 | 168.53 (18) |
| C17—C18—C19—C20 | −179.6 (4) | O2—La1—O1—C31 | −35.7 (3) |
| C23—C18—C19—C20 | −0.7 (6) | O5—La1—O1—C31 | 5.8 (3) |
| C18—C19—C20—C21 | 1.4 (7) | O6—La1—O1—C31 | 161.4 (3) |
| C19—C20—C21—C22 | −1.2 (8) | O4—La1—O1—C31 | 153.7 (3) |
| C20—C21—C22—C23 | 0.2 (7) | O2i—La1—O1—C31 | 42.8 (3) |
| C21—C22—C23—C24 | 179.6 (4) | O3i—La1—O1—C31 | 84.8 (3) |
| C21—C22—C23—C18 | 0.5 (6) | N1—La1—O1—C31 | −132.6 (3) |
| C17—C18—C23—C24 | −0.4 (5) | N2—La1—O1—C31 | −98.6 (3) |
| C19—C18—C23—C24 | −179.4 (3) | C16—La1—O1—C31 | 157.1 (3) |
| C17—C18—C23—C22 | 178.7 (3) | C1i—La1—O1—C31 | 65.4 (3) |
| C19—C18—C23—C22 | −0.3 (5) | La1i—La1—O1—C31 | 5.5 (3) |
| C22—C23—C24—C25 | 178.2 (3) | O3—C1—O2—La1 | 149.3 (4) |
| C18—C23—C24—C25 | −2.7 (5) | C2—C1—O2—La1 | −30.6 (6) |
| C23—C24—C25—C26 | −179.3 (3) | La1i—C1—O2—La1 | 157.7 (5) |
| C23—C24—C25—C30 | 2.6 (4) | O3—C1—O2—La1i | −8.4 (3) |
| C24—C25—C26—C27 | −179.1 (3) | C2—C1—O2—La1i | 171.7 (2) |
| C30—C25—C26—C27 | −1.0 (5) | O5—La1—O2—C1 | 128.1 (5) |
| C25—C26—C27—C28 | −0.8 (6) | O1—La1—O2—C1 | −80.7 (5) |
| C26—C27—C28—C29 | 2.1 (6) | O6—La1—O2—C1 | 71.0 (5) |
| C27—C28—C29—C30 | −1.4 (5) | O4—La1—O2—C1 | −61.1 (5) |
| C18—C17—C30—C29 | 177.2 (3) | O2i—La1—O2—C1 | −156.9 (5) |
| C16—C17—C30—C29 | −7.4 (4) | O3i—La1—O2—C1 | −168.3 (5) |
| C18—C17—C30—C25 | −3.8 (4) | N1—La1—O2—C1 | −8.4 (5) |
| C16—C17—C30—C25 | 171.7 (3) | N2—La1—O2—C1 | 49.7 (5) |
| C28—C29—C30—C17 | 178.7 (3) | C16—La1—O2—C1 | 5.1 (7) |
| C28—C29—C30—C25 | −0.4 (5) | C1i—La1—O2—C1 | −160.5 (4) |
| C24—C25—C30—C17 | 0.6 (4) | La1i—La1—O2—C1 | −156.9 (5) |
| C26—C25—C30—C17 | −177.5 (3) | O5—La1—O2—La1i | −74.97 (7) |
| C24—C25—C30—C29 | 179.7 (3) | O1—La1—O2—La1i | 76.26 (7) |
| C26—C25—C30—C29 | 1.6 (4) | O6—La1—O2—La1i | −132.12 (15) |
| O5i—C31—C32—C45 | 42.2 (4) | O4—La1—O2—La1i | 95.82 (15) |
| O1—C31—C32—C45 | −137.0 (3) | O2i—La1—O2—La1i | 0.0 |
| O5i—C31—C32—C33 | −138.0 (3) | O3i—La1—O2—La1i | −11.37 (11) |
| O1—C31—C32—C33 | 42.8 (4) | N1—La1—O2—La1i | 148.51 (8) |
| C45—C32—C33—C34 | −179.2 (3) | N2—La1—O2—La1i | −153.33 (9) |
| C31—C32—C33—C34 | 0.9 (4) | C16—La1—O2—La1i | 162.1 (3) |
| C45—C32—C33—C38 | −0.4 (4) | C1i—La1—O2—La1i | −3.61 (8) |
| C31—C32—C33—C38 | 179.8 (3) | O2—C1—O3—La1i | 8.3 (3) |
| C32—C33—C34—C35 | −179.5 (3) | C2—C1—O3—La1i | −171.7 (2) |
| C38—C33—C34—C35 | 1.6 (5) | O6—C16—O4—La1 | −0.1 (3) |
| C33—C34—C35—C36 | 0.4 (5) | C17—C16—O4—La1 | −178.8 (2) |
| C34—C35—C36—C37 | −1.6 (5) | O2—La1—O4—C16 | 153.53 (17) |
| C35—C36—C37—C38 | 0.8 (6) | O5—La1—O4—C16 | −39.0 (2) |
| C36—C37—C38—C39 | 179.4 (3) | O1—La1—O4—C16 | 172.54 (19) |
| C36—C37—C38—C33 | 1.3 (5) | O6—La1—O4—C16 | 0.04 (17) |
| C32—C33—C38—C39 | 0.5 (4) | O2i—La1—O4—C16 | −119.02 (18) |
| C34—C33—C38—C39 | 179.4 (3) | O3i—La1—O4—C16 | −86.61 (18) |
| C32—C33—C38—C37 | 178.6 (3) | N1—La1—O4—C16 | 96.65 (18) |
| C34—C33—C38—C37 | −2.4 (4) | N2—La1—O4—C16 | 50.78 (19) |
| C37—C38—C39—C40 | −178.0 (3) | C1i—La1—O4—C16 | −104.14 (18) |
| C33—C38—C39—C40 | 0.1 (5) | La1i—La1—O4—C16 | −143.20 (15) |
| C38—C39—C40—C41 | 178.9 (3) | O2—La1—O5—C31i | 46.3 (3) |
| C38—C39—C40—C45 | −0.8 (5) | O1—La1—O5—C31i | 4.8 (3) |
| C39—C40—C41—C42 | −179.4 (4) | O6—La1—O5—C31i | −156.9 (3) |
| C45—C40—C41—C42 | 0.3 (6) | O4—La1—O5—C31i | −127.5 (3) |
| C40—C41—C42—C43 | 0.5 (7) | O2i—La1—O5—C31i | −32.5 (3) |
| C41—C42—C43—C44 | −0.6 (7) | O3i—La1—O5—C31i | −81.9 (3) |
| C42—C43—C44—C45 | 0.0 (6) | N1—La1—O5—C31i | 121.3 (3) |
| C33—C32—C45—C44 | −178.0 (3) | N2—La1—O5—C31i | 128.0 (3) |
| C31—C32—C45—C44 | 1.8 (4) | C16—La1—O5—C31i | −144.9 (3) |
| C33—C32—C45—C40 | −0.2 (4) | C1i—La1—O5—C31i | −57.7 (3) |
| C31—C32—C45—C40 | 179.6 (3) | La1i—La1—O5—C31i | 5.1 (3) |
| C43—C44—C45—C32 | 178.6 (3) | O4—C16—O6—La1 | 0.1 (3) |
| C43—C44—C45—C40 | 0.8 (5) | C17—C16—O6—La1 | 178.8 (2) |
| C39—C40—C45—C32 | 0.8 (5) | O2—La1—O6—C16 | −152.95 (17) |
| C41—C40—C45—C32 | −178.9 (3) | O5—La1—O6—C16 | 153.5 (2) |
| C39—C40—C45—C44 | 178.8 (3) | O1—La1—O6—C16 | −9.8 (2) |
| C41—C40—C45—C44 | −0.9 (5) | O4—La1—O6—C16 | −0.04 (17) |
| N2—C46—C47—C48 | −0.7 (5) | O2i—La1—O6—C16 | 85.2 (2) |
| C46—C47—C48—C49 | 1.5 (6) | O3i—La1—O6—C16 | 76.5 (2) |
| C47—C48—C49—C50 | −1.4 (6) | N1—La1—O6—C16 | −71.6 (2) |
| C48—C49—C50—N2 | 0.3 (5) | N2—La1—O6—C16 | −131.5 (2) |
| C48—C49—C50—C51 | −179.6 (3) | C1i—La1—O6—C16 | 78.7 (2) |
| N2—C50—C51—N1 | 3.2 (4) | La1i—La1—O6—C16 | 115.99 (18) |
| La1—O2 | 2.4561 (18) |
| La1—O5 | 2.4574 (19) |
| La1—O1 | 2.4974 (18) |
| La1—O6 | 2.522 (2) |
| La1—O4 | 2.535 (2) |
| La1—O2i | 2.6750 (19) |
| La1—O3i | 2.687 (2) |
| La1—N1 | 2.730 (2) |
| La1—N2 | 2.741 (2) |
| O2—La1—O5 | 73.16 (7) |
| O2—La1—O1 | 73.15 (6) |
| O5—La1—O1 | 135.97 (6) |
| O2—La1—O6 | 151.98 (7) |
| O5—La1—O6 | 90.68 (7) |
| O1—La1—O6 | 130.65 (7) |
| O2—La1—O4 | 151.37 (7) |
| O5—La1—O4 | 135.00 (7) |
| O1—La1—O4 | 79.76 (6) |
| O6—La1—O4 | 51.39 (7) |
| O2—La1—O2i | 74.44 (6) |
| O5—La1—O2i | 71.53 (6) |
| O1—La1—O2i | 72.74 (6) |
| O6—La1—O2i | 122.70 (7) |
| O4—La1—O2i | 106.39 (7) |
| O2—La1—O3i | 121.09 (6) |
| O5—La1—O3i | 77.60 (8) |
| O1—La1—O3i | 96.65 (8) |
| O6—La1—O3i | 75.51 (8) |
| O4—La1—O3i | 70.62 (7) |
| O2i—La1—O3i | 47.91 (6) |
| O2—La1—N1 | 91.57 (7) |
| O5—La1—N1 | 134.60 (7) |
| O1—La1—N1 | 73.52 (7) |
| O6—La1—N1 | 83.64 (8) |
| O4—La1—N1 | 71.68 (7) |
| O2i—La1—N1 | 145.95 (7) |
| O3i—La1—N1 | 142.16 (7) |
| O2—La1—N2 | 78.12 (7) |
| O5—La1—N2 | 75.60 (7) |
| O1—La1—N2 | 123.19 (7) |
| O6—La1—N2 | 75.71 (7) |
| O4—La1—N2 | 110.34 (7) |
| O2i—La1—N2 | 141.93 (7) |
| O3i—La1—N2 | 140.02 (8) |
| N1—La1—N2 | 59.30 (7) |
Symmetry code: (i) .