| Literature DB >> 21582651 |
Lei-Qi Chen, Jian-Nan Guo, Wei-Min Xuan, Yi-Ji Lin, Hui Zhang.
Abstract
In the title compound, [Tb(C(15)H(11)O(2))(3)(C(17)H(18)N(2))], the 7,7-dimethyl-3-(2-pyrid-yl)-5,6,7,8-Entities:
Year: 2009 PMID: 21582651 PMCID: PMC2969283 DOI: 10.1107/S1600536809019783
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Tb(C15H11O2)3(C17H18N2)] | |
| Monoclinic, | Mo |
| Hall symbol: P 2yb | Cell parameters from 11553 reflections |
| θ = 3.2–27.5° | |
| µ = 1.46 mm−1 | |
| β = 92.47 (3)° | Block, yellow |
| 0.51 × 0.43 × 0.34 mm | |
| Rigaku R-AXIS SPIDER IP diffractometer | 8346 independent reflections |
| Radiation source: fine-focus sealed tube | 5624 reflections with |
| graphite | |
| ω scans | θmax = 25.0°, θmin = 3.2° |
| Absorption correction: multi-scan ( | |
| 19632 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 = 0.003 | |
| 8346 reflections | Δρmax = 1.03 e Å−3 |
| 640 parameters | Δρmin = −1.22 e Å−3 |
| 1 restraint | Absolute structure: Flack (1983), 3779 Friedel pairs |
| Primary atom site location: structure-invariant direct methods | Flack parameter: −0.008 (14) |
| 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 |
| C1 | 0.3453 (11) | 0.4955 (5) | 1.0559 (7) | 0.061 (4) | |
| H1A | 0.2627 | 0.4725 | 1.0640 | 0.073* | |
| N1 | 0.3795 (6) | 0.5115 (7) | 0.9587 (4) | 0.0455 (15) | |
| O1 | 0.2344 (7) | 0.4463 (3) | 0.6603 (6) | 0.044 (2) | |
| Tb1 | 0.19194 (4) | 0.51094 (3) | 0.80567 (3) | 0.03880 (11) | |
| C2 | 0.4251 (12) | 0.5109 (10) | 1.1437 (7) | 0.085 (3) | |
| H2A | 0.3963 | 0.5000 | 1.2101 | 0.102* | |
| N2 | 0.4480 (7) | 0.5358 (3) | 0.7640 (6) | 0.0378 (19) | |
| O2 | 0.1996 (9) | 0.4047 (4) | 0.8634 (8) | 0.049 (3) | |
| C3 | 0.5473 (15) | 0.5427 (6) | 1.1313 (10) | 0.099 (5) | |
| H3A | 0.6048 | 0.5527 | 1.1897 | 0.118* | |
| O3 | −0.0322 (7) | 0.4832 (2) | 0.7448 (5) | 0.0479 (17) | |
| C4 | 0.5867 (12) | 0.5599 (5) | 1.0347 (9) | 0.076 (3) | |
| H4A | 0.6697 | 0.5827 | 1.0266 | 0.091* | |
| O4 | 0.0459 (5) | 0.5113 (5) | 0.9497 (3) | 0.0460 (13) | |
| C5 | 0.5009 (11) | 0.5429 (4) | 0.9467 (7) | 0.049 (3) | |
| O5 | 0.1579 (7) | 0.5793 (3) | 0.6611 (6) | 0.0403 (18) | |
| C6 | 0.5388 (9) | 0.5584 (4) | 0.8388 (8) | 0.040 (2) | |
| O6 | 0.2217 (10) | 0.6188 (3) | 0.8630 (8) | 0.047 (3) | |
| C7 | 0.6570 (10) | 0.5914 (4) | 0.8162 (9) | 0.056 (3) | |
| H7A | 0.7162 | 0.6067 | 0.8705 | 0.068* | |
| C8 | 0.6903 (13) | 0.6027 (5) | 0.7130 (10) | 0.046 (3) | |
| C9 | 0.6051 (10) | 0.5767 (4) | 0.6343 (8) | 0.047 (3) | |
| C10 | 0.4818 (10) | 0.5450 (3) | 0.6637 (7) | 0.041 (2) | |
| H10A | 0.4204 | 0.5295 | 0.6108 | 0.049* | |
| C11 | 0.8151 (11) | 0.6428 (5) | 0.6816 (10) | 0.062 (3) | |
| H11A | 0.9016 | 0.6237 | 0.7100 | 0.075* | |
| H11B | 0.8077 | 0.6859 | 0.7100 | 0.075* | |
| C12 | 0.8186 (12) | 0.6461 (5) | 0.5617 (10) | 0.060 (3) | |
| H12A | 0.8977 | 0.6705 | 0.5352 | 0.072* | |
| C13 | 0.6755 (16) | 0.6621 (6) | 0.5090 (11) | 0.065 (4) | |
| C14 | 0.6401 (12) | 0.5886 (4) | 0.5235 (8) | 0.058 (3) | |
| H14A | 0.5803 | 0.5681 | 0.4687 | 0.070* | |
| C15 | 0.8052 (12) | 0.5770 (5) | 0.5200 (10) | 0.083 (4) | |
| H15A | 0.8416 | 0.5443 | 0.5681 | 0.099* | |
| H15B | 0.8392 | 0.5710 | 0.4501 | 0.099* | |
| C16 | 0.5843 (11) | 0.7116 (5) | 0.5623 (9) | 0.069 (3) | |
| H16A | 0.6169 | 0.7541 | 0.5467 | 0.104* | |
| H16B | 0.5903 | 0.7049 | 0.6367 | 0.104* | |
| H16C | 0.4884 | 0.7070 | 0.5370 | 0.104* | |
| C17 | 0.6831 (14) | 0.6796 (6) | 0.3934 (9) | 0.104 (5) | |
| H17A | 0.7039 | 0.7246 | 0.3870 | 0.155* | |
| H17B | 0.5945 | 0.6705 | 0.3578 | 0.155* | |
| H17C | 0.7558 | 0.6548 | 0.3626 | 0.155* | |
| C18 | 0.1838 (15) | 0.3886 (6) | 0.6372 (12) | 0.047 (4) | |
| C19 | 0.1776 (16) | 0.3760 (6) | 0.5217 (13) | 0.050 (4) | |
| C20 | 0.2664 (15) | 0.4081 (6) | 0.4562 (11) | 0.067 (4) | |
| H20A | 0.3296 | 0.4386 | 0.4832 | 0.080* | |
| C21 | 0.260 (2) | 0.3937 (7) | 0.3468 (14) | 0.100 (7) | |
| H21A | 0.3191 | 0.4149 | 0.3021 | 0.120* | |
| C22 | 0.166 (2) | 0.3486 (9) | 0.3073 (14) | 0.094 (7) | |
| H22A | 0.1597 | 0.3404 | 0.2357 | 0.113* | |
| C23 | 0.0827 (14) | 0.3161 (5) | 0.3729 (10) | 0.076 (4) | |
| H23A | 0.0206 | 0.2850 | 0.3463 | 0.091* | |
| C24 | 0.0900 (13) | 0.3290 (4) | 0.4782 (8) | 0.059 (3) | |
| H24A | 0.0340 | 0.3054 | 0.5221 | 0.070* | |
| C25 | 0.1452 (11) | 0.3446 (4) | 0.7094 (7) | 0.043 (3) | |
| H25A | 0.1067 | 0.3061 | 0.6846 | 0.052* | |
| C26 | 0.1589 (10) | 0.3527 (4) | 0.8162 (7) | 0.037 (2) | |
| C27 | 0.1249 (9) | 0.2964 (3) | 0.8876 (7) | 0.038 (2) | |
| C28 | 0.0840 (12) | 0.3068 (4) | 0.9875 (7) | 0.062 (3) | |
| H28A | 0.0795 | 0.3485 | 1.0133 | 0.074* | |
| C29 | 0.0499 (13) | 0.2565 (5) | 1.0495 (8) | 0.085 (4) | |
| H29A | 0.0217 | 0.2645 | 1.1171 | 0.102* | |
| C30 | 0.0559 (12) | 0.1946 (4) | 1.0152 (9) | 0.067 (3) | |
| H30A | 0.0297 | 0.1610 | 1.0583 | 0.080* | |
| C31 | 0.1002 (13) | 0.1823 (5) | 0.9180 (10) | 0.079 (4) | |
| H31A | 0.1089 | 0.1403 | 0.8944 | 0.095* | |
| C32 | 0.1324 (13) | 0.2336 (4) | 0.8546 (8) | 0.073 (4) | |
| H32A | 0.1602 | 0.2254 | 0.7869 | 0.087* | |
| C33 | −0.1299 (10) | 0.4515 (4) | 0.7860 (7) | 0.038 (2) | |
| C34 | −0.2340 (12) | 0.4184 (5) | 0.7124 (9) | 0.043 (3) | |
| C35 | −0.2038 (11) | 0.4120 (4) | 0.6077 (10) | 0.052 (3) | |
| H35A | −0.1190 | 0.4277 | 0.5845 | 0.062* | |
| C36 | −0.2997 (17) | 0.3822 (6) | 0.5360 (12) | 0.074 (5) | |
| H36A | −0.2799 | 0.3795 | 0.4654 | 0.089* | |
| C37 | −0.4207 (15) | 0.3576 (6) | 0.5704 (12) | 0.085 (4) | |
| H37A | −0.4816 | 0.3355 | 0.5243 | 0.101* | |
| C38 | −0.4543 (12) | 0.3653 (5) | 0.6740 (12) | 0.076 (4) | |
| H38A | −0.5396 | 0.3496 | 0.6963 | 0.091* | |
| C39 | −0.3618 (11) | 0.3964 (5) | 0.7463 (9) | 0.052 (3) | |
| H39A | −0.3859 | 0.4022 | 0.8154 | 0.063* | |
| C40 | −0.1415 (10) | 0.4455 (4) | 0.8923 (8) | 0.046 (2) | |
| H40A | −0.2116 | 0.4184 | 0.9152 | 0.055* | |
| C41 | −0.0589 (10) | 0.4760 (4) | 0.9682 (7) | 0.042 (2) | |
| C42 | −0.0893 (10) | 0.4674 (4) | 1.0826 (7) | 0.048 (2) | |
| C43 | −0.0303 (9) | 0.5112 (9) | 1.1547 (6) | 0.061 (2) | |
| H43A | 0.0294 | 0.5434 | 1.1326 | 0.073* | |
| C44 | −0.0616 (11) | 0.5064 (9) | 1.2606 (7) | 0.080 (3) | |
| H44A | −0.0241 | 0.5360 | 1.3086 | 0.096* | |
| C45 | −0.1463 (15) | 0.4586 (6) | 1.2936 (9) | 0.094 (4) | |
| H45A | −0.1647 | 0.4553 | 1.3643 | 0.112* | |
| C46 | −0.2038 (14) | 0.4162 (6) | 1.2253 (9) | 0.089 (4) | |
| H46A | −0.2642 | 0.3848 | 1.2492 | 0.107* | |
| C47 | −0.1749 (13) | 0.4182 (5) | 1.1191 (8) | 0.075 (4) | |
| H47A | −0.2119 | 0.3872 | 1.0732 | 0.089* | |
| C48 | 0.2014 (13) | 0.6338 (6) | 0.6362 (12) | 0.039 (4) | |
| C49 | 0.1978 (14) | 0.6503 (6) | 0.5226 (13) | 0.041 (4) | |
| C50 | 0.2037 (14) | 0.5989 (6) | 0.4524 (12) | 0.061 (4) | |
| H50A | 0.2033 | 0.5570 | 0.4777 | 0.073* | |
| C51 | 0.2099 (19) | 0.6093 (8) | 0.3490 (14) | 0.085 (5) | |
| H51A | 0.2173 | 0.5745 | 0.3037 | 0.103* | |
| C52 | 0.2054 (16) | 0.6708 (10) | 0.3091 (14) | 0.081 (6) | |
| H52A | 0.2059 | 0.6774 | 0.2371 | 0.097* | |
| C53 | 0.2004 (14) | 0.7212 (5) | 0.3744 (10) | 0.073 (4) | |
| H53A | 0.1987 | 0.7628 | 0.3477 | 0.088* | |
| C54 | 0.1977 (12) | 0.7112 (5) | 0.4813 (9) | 0.061 (3) | |
| H54A | 0.1957 | 0.7464 | 0.5261 | 0.073* | |
| C55 | 0.2517 (10) | 0.6806 (4) | 0.7104 (7) | 0.039 (2) | |
| H55A | 0.2743 | 0.7212 | 0.6857 | 0.047* | |
| C56 | 0.2688 (11) | 0.6690 (4) | 0.8176 (8) | 0.041 (2) | |
| C57 | 0.3457 (10) | 0.7162 (4) | 0.8887 (8) | 0.049 (3) | |
| C58 | 0.3327 (13) | 0.7120 (5) | 0.9947 (9) | 0.077 (4) | |
| H58A | 0.2728 | 0.6816 | 1.0221 | 0.092* | |
| C59 | 0.4101 (18) | 0.7536 (8) | 1.0620 (12) | 0.106 (5) | |
| H59A | 0.4028 | 0.7504 | 1.1343 | 0.127* | |
| C60 | 0.4949 (13) | 0.7981 (6) | 1.0211 (12) | 0.082 (4) | |
| H60A | 0.5484 | 0.8248 | 1.0657 | 0.098* | |
| C61 | 0.5031 (16) | 0.8045 (6) | 0.9181 (12) | 0.089 (5) | |
| H61A | 0.5586 | 0.8369 | 0.8913 | 0.106* | |
| C62 | 0.4301 (12) | 0.7636 (4) | 0.8507 (9) | 0.072 (3) | |
| H62B | 0.4381 | 0.7680 | 0.7787 | 0.087* |
| C1 | 0.073 (8) | 0.068 (10) | 0.041 (6) | −0.002 (5) | 0.011 (5) | 0.009 (5) |
| N1 | 0.046 (4) | 0.046 (3) | 0.045 (4) | 0.001 (8) | 0.006 (3) | −0.008 (9) |
| O1 | 0.039 (5) | 0.045 (4) | 0.049 (4) | −0.009 (3) | 0.016 (4) | 0.001 (3) |
| Tb1 | 0.0427 (2) | 0.03169 (16) | 0.0427 (2) | −0.0053 (4) | 0.01018 (15) | 0.0003 (4) |
| C2 | 0.100 (9) | 0.116 (8) | 0.039 (6) | −0.024 (15) | 0.003 (6) | 0.013 (15) |
| N2 | 0.028 (5) | 0.037 (4) | 0.050 (5) | −0.007 (3) | 0.010 (4) | −0.007 (3) |
| O2 | 0.051 (6) | 0.047 (5) | 0.049 (7) | −0.014 (4) | 0.002 (5) | −0.013 (4) |
| C3 | 0.097 (12) | 0.143 (12) | 0.054 (9) | −0.036 (9) | −0.010 (8) | 0.006 (7) |
| O3 | 0.054 (5) | 0.049 (3) | 0.042 (4) | −0.001 (3) | 0.014 (3) | 0.007 (3) |
| C4 | 0.058 (9) | 0.122 (9) | 0.048 (8) | −0.019 (7) | −0.001 (6) | 0.007 (7) |
| O4 | 0.046 (3) | 0.050 (3) | 0.043 (3) | −0.015 (6) | 0.014 (3) | −0.004 (7) |
| C5 | 0.050 (7) | 0.057 (5) | 0.042 (6) | −0.001 (5) | 0.012 (5) | 0.008 (4) |
| O5 | 0.045 (5) | 0.034 (3) | 0.042 (4) | −0.009 (3) | 0.002 (4) | 0.002 (3) |
| C6 | 0.026 (6) | 0.035 (4) | 0.060 (7) | −0.004 (4) | 0.006 (5) | 0.003 (4) |
| O6 | 0.072 (7) | 0.024 (4) | 0.047 (7) | −0.011 (4) | 0.014 (5) | −0.015 (4) |
| C7 | 0.037 (7) | 0.062 (6) | 0.069 (8) | −0.007 (5) | −0.014 (6) | 0.021 (6) |
| C8 | 0.031 (8) | 0.053 (6) | 0.055 (8) | −0.010 (6) | 0.022 (7) | 0.008 (5) |
| C9 | 0.048 (7) | 0.033 (5) | 0.063 (7) | −0.005 (4) | 0.022 (6) | −0.006 (4) |
| C10 | 0.048 (7) | 0.042 (4) | 0.034 (6) | −0.006 (4) | 0.007 (5) | −0.014 (4) |
| C11 | 0.033 (6) | 0.062 (6) | 0.091 (10) | −0.004 (5) | 0.004 (6) | 0.031 (7) |
| C12 | 0.041 (8) | 0.052 (7) | 0.089 (10) | 0.000 (5) | 0.026 (7) | 0.007 (6) |
| C13 | 0.078 (10) | 0.048 (7) | 0.070 (10) | −0.013 (6) | 0.035 (8) | 0.010 (6) |
| C14 | 0.076 (9) | 0.054 (6) | 0.047 (7) | −0.022 (5) | 0.023 (6) | −0.001 (5) |
| C15 | 0.076 (10) | 0.058 (7) | 0.117 (11) | 0.005 (6) | 0.050 (9) | 0.003 (7) |
| C16 | 0.047 (7) | 0.059 (6) | 0.102 (10) | 0.012 (5) | 0.002 (7) | 0.024 (7) |
| C17 | 0.117 (12) | 0.122 (10) | 0.073 (10) | −0.041 (9) | 0.015 (9) | 0.038 (8) |
| C18 | 0.067 (11) | 0.020 (7) | 0.055 (10) | −0.011 (5) | 0.015 (8) | −0.023 (6) |
| C19 | 0.067 (11) | 0.037 (8) | 0.048 (10) | 0.004 (6) | 0.014 (8) | −0.006 (7) |
| C20 | 0.096 (12) | 0.057 (7) | 0.047 (8) | −0.020 (7) | 0.003 (8) | 0.007 (6) |
| C21 | 0.18 (2) | 0.076 (11) | 0.052 (11) | −0.023 (11) | 0.040 (11) | 0.014 (8) |
| C22 | 0.156 (18) | 0.075 (12) | 0.052 (13) | −0.010 (10) | 0.002 (12) | 0.007 (8) |
| C23 | 0.094 (12) | 0.070 (8) | 0.063 (9) | 0.004 (7) | 0.004 (8) | −0.016 (6) |
| C24 | 0.086 (10) | 0.044 (6) | 0.047 (7) | 0.000 (6) | 0.012 (7) | −0.006 (5) |
| C25 | 0.060 (8) | 0.033 (5) | 0.039 (6) | −0.004 (5) | 0.015 (6) | −0.004 (4) |
| C26 | 0.036 (7) | 0.028 (4) | 0.048 (6) | −0.005 (4) | 0.001 (5) | 0.007 (4) |
| C27 | 0.040 (6) | 0.026 (4) | 0.049 (6) | −0.005 (4) | 0.003 (5) | −0.002 (4) |
| C28 | 0.092 (10) | 0.053 (6) | 0.041 (7) | −0.013 (6) | 0.011 (6) | 0.003 (5) |
| C29 | 0.119 (13) | 0.081 (8) | 0.057 (8) | −0.003 (7) | 0.034 (8) | 0.006 (7) |
| C30 | 0.075 (9) | 0.048 (6) | 0.077 (9) | −0.014 (5) | −0.009 (7) | 0.023 (6) |
| C31 | 0.111 (11) | 0.044 (6) | 0.082 (9) | −0.006 (6) | 0.003 (8) | 0.013 (6) |
| C32 | 0.118 (11) | 0.049 (6) | 0.052 (7) | 0.004 (6) | 0.017 (7) | −0.003 (5) |
| C33 | 0.046 (7) | 0.040 (5) | 0.029 (5) | 0.004 (4) | −0.001 (5) | 0.000 (4) |
| C34 | 0.041 (8) | 0.037 (5) | 0.052 (7) | −0.003 (5) | 0.007 (6) | 0.003 (4) |
| C35 | 0.048 (7) | 0.032 (5) | 0.074 (9) | 0.000 (4) | −0.005 (6) | 0.010 (6) |
| C36 | 0.092 (13) | 0.064 (10) | 0.063 (10) | −0.011 (8) | −0.021 (8) | −0.016 (7) |
| C37 | 0.071 (11) | 0.071 (8) | 0.108 (13) | −0.023 (7) | −0.043 (9) | −0.003 (8) |
| C38 | 0.043 (8) | 0.063 (7) | 0.120 (12) | −0.008 (5) | −0.005 (8) | 0.008 (7) |
| C39 | 0.028 (7) | 0.075 (7) | 0.054 (8) | −0.007 (5) | 0.001 (6) | 0.012 (6) |
| C40 | 0.034 (6) | 0.046 (5) | 0.057 (7) | −0.021 (4) | 0.004 (5) | 0.003 (4) |
| C41 | 0.034 (6) | 0.042 (5) | 0.052 (6) | 0.000 (4) | 0.024 (5) | 0.008 (4) |
| C42 | 0.042 (7) | 0.057 (5) | 0.044 (6) | 0.002 (4) | 0.012 (5) | −0.001 (5) |
| C43 | 0.077 (6) | 0.057 (4) | 0.049 (5) | 0.002 (12) | 0.016 (5) | 0.009 (12) |
| C44 | 0.114 (9) | 0.082 (7) | 0.046 (6) | −0.029 (12) | 0.018 (6) | −0.010 (10) |
| C45 | 0.127 (13) | 0.113 (10) | 0.042 (8) | −0.036 (9) | 0.020 (8) | −0.005 (7) |
| C46 | 0.114 (12) | 0.103 (9) | 0.052 (8) | −0.041 (8) | 0.026 (8) | 0.014 (6) |
| C47 | 0.100 (10) | 0.075 (7) | 0.051 (7) | −0.028 (6) | 0.025 (7) | −0.014 (5) |
| C48 | 0.015 (7) | 0.046 (8) | 0.054 (10) | 0.005 (5) | 0.000 (6) | −0.008 (7) |
| C49 | 0.033 (8) | 0.046 (8) | 0.043 (10) | −0.005 (6) | −0.002 (7) | −0.004 (7) |
| C50 | 0.067 (10) | 0.055 (7) | 0.060 (9) | −0.002 (6) | −0.008 (7) | 0.003 (6) |
| C51 | 0.123 (14) | 0.083 (10) | 0.051 (10) | −0.009 (9) | 0.005 (9) | 0.003 (7) |
| C52 | 0.083 (13) | 0.114 (17) | 0.047 (12) | −0.029 (10) | 0.007 (9) | 0.004 (10) |
| C53 | 0.096 (11) | 0.062 (7) | 0.063 (9) | −0.019 (7) | −0.002 (8) | 0.023 (6) |
| C54 | 0.071 (9) | 0.049 (6) | 0.064 (8) | −0.007 (6) | 0.010 (7) | 0.004 (5) |
| C55 | 0.049 (7) | 0.025 (4) | 0.043 (6) | −0.009 (4) | 0.008 (5) | 0.006 (4) |
| C56 | 0.041 (7) | 0.029 (5) | 0.055 (7) | 0.002 (4) | 0.012 (5) | 0.006 (4) |
| C57 | 0.055 (7) | 0.037 (5) | 0.055 (7) | −0.001 (4) | 0.005 (5) | −0.015 (4) |
| C58 | 0.104 (11) | 0.070 (7) | 0.057 (8) | −0.039 (7) | 0.010 (7) | −0.006 (6) |
| C59 | 0.130 (16) | 0.131 (14) | 0.056 (9) | −0.052 (11) | 0.006 (10) | −0.028 (9) |
| C60 | 0.067 (10) | 0.089 (9) | 0.090 (11) | −0.009 (7) | −0.008 (8) | −0.039 (8) |
| C61 | 0.104 (13) | 0.078 (9) | 0.085 (12) | −0.046 (8) | 0.016 (10) | −0.027 (8) |
| C62 | 0.093 (10) | 0.063 (6) | 0.061 (8) | −0.033 (6) | 0.007 (7) | −0.013 (6) |
| C1—N1 | 1.338 (10) | C25—H25A | 0.9300 |
| C1—C2 | 1.365 (13) | C26—C27 | 1.525 (10) |
| C1—H1A | 0.9300 | C27—C28 | 1.367 (11) |
| N1—C5 | 1.342 (12) | C27—C32 | 1.375 (11) |
| N1—Tb1 | 2.589 (6) | C28—C29 | 1.360 (12) |
| O1—C18 | 1.321 (13) | C28—H28A | 0.9300 |
| O1—Tb1 | 2.341 (7) | C29—C30 | 1.360 (13) |
| Tb1—O2 | 2.328 (9) | C29—H29A | 0.9300 |
| Tb1—O3 | 2.312 (7) | C30—C31 | 1.352 (14) |
| Tb1—O5 | 2.341 (7) | C30—H30A | 0.9300 |
| Tb1—O4 | 2.353 (4) | C31—C32 | 1.382 (12) |
| Tb1—O6 | 2.372 (7) | C31—H31A | 0.9300 |
| Tb1—N2 | 2.569 (6) | C32—H32A | 0.9300 |
| C2—C3 | 1.352 (16) | C33—C40 | 1.372 (11) |
| C2—H2A | 0.9300 | C33—C34 | 1.503 (14) |
| N2—C6 | 1.344 (11) | C34—C35 | 1.385 (16) |
| N2—C10 | 1.348 (10) | C34—C39 | 1.386 (13) |
| O2—C26 | 1.290 (11) | C35—C36 | 1.409 (16) |
| C3—C4 | 1.353 (14) | C35—H35A | 0.9300 |
| C3—H3A | 0.9300 | C36—C37 | 1.350 (18) |
| O3—C33 | 1.272 (9) | C36—H36A | 0.9300 |
| C4—C5 | 1.405 (14) | C37—C38 | 1.384 (16) |
| C4—H4A | 0.9300 | C37—H37A | 0.9300 |
| O4—C41 | 1.267 (10) | C38—C39 | 1.405 (15) |
| C5—C6 | 1.475 (12) | C38—H38A | 0.9300 |
| O5—C48 | 1.253 (14) | C39—H39A | 0.9300 |
| C6—C7 | 1.360 (11) | C40—C41 | 1.376 (12) |
| O6—C56 | 1.284 (11) | C40—H40A | 0.9300 |
| C7—C8 | 1.388 (15) | C41—C42 | 1.513 (12) |
| C7—H7A | 0.9300 | C42—C43 | 1.395 (16) |
| C8—C9 | 1.374 (15) | C42—C47 | 1.401 (12) |
| C8—C11 | 1.519 (13) | C43—C44 | 1.400 (10) |
| C9—C10 | 1.411 (11) | C43—H43A | 0.9300 |
| C9—C14 | 1.489 (12) | C44—C45 | 1.357 (18) |
| C10—H10A | 0.9300 | C44—H44A | 0.9300 |
| C11—C12 | 1.533 (16) | C45—C46 | 1.340 (15) |
| C11—H11A | 0.9700 | C45—H45A | 0.9300 |
| C11—H11B | 0.9700 | C46—C47 | 1.396 (13) |
| C12—C13 | 1.530 (18) | C46—H46A | 0.9300 |
| C12—C15 | 1.535 (13) | C47—H47A | 0.9300 |
| C12—H12A | 0.9800 | C48—C55 | 1.425 (16) |
| C13—C16 | 1.524 (16) | C48—C49 | 1.49 (2) |
| C13—C17 | 1.526 (16) | C49—C54 | 1.372 (16) |
| C13—C14 | 1.577 (13) | C49—C50 | 1.397 (18) |
| C14—C15 | 1.592 (15) | C50—C51 | 1.34 (2) |
| C14—H14A | 0.9800 | C50—H50A | 0.9300 |
| C15—H15A | 0.9700 | C51—C52 | 1.38 (2) |
| C15—H15B | 0.9700 | C51—H51A | 0.9300 |
| C16—H16A | 0.9600 | C52—C53 | 1.34 (2) |
| C16—H16B | 0.9600 | C52—H52A | 0.9300 |
| C16—H16C | 0.9600 | C53—C54 | 1.382 (14) |
| C17—H17A | 0.9600 | C53—H53A | 0.9300 |
| C17—H17B | 0.9600 | C54—H54A | 0.9300 |
| C17—H17C | 0.9600 | C55—C56 | 1.393 (12) |
| C18—C25 | 1.361 (16) | C55—H55A | 0.9300 |
| C18—C19 | 1.50 (2) | C56—C57 | 1.506 (12) |
| C19—C24 | 1.385 (17) | C57—C58 | 1.367 (13) |
| C19—C20 | 1.385 (17) | C57—C62 | 1.372 (12) |
| C20—C21 | 1.43 (2) | C58—C59 | 1.406 (16) |
| C20—H20A | 0.9300 | C58—H58A | 0.9300 |
| C21—C22 | 1.38 (2) | C59—C60 | 1.348 (17) |
| C21—H21A | 0.9300 | C59—H59A | 0.9300 |
| C22—C23 | 1.358 (19) | C60—C61 | 1.328 (17) |
| C22—H22A | 0.9300 | C60—H60A | 0.9300 |
| C23—C24 | 1.370 (14) | C61—C62 | 1.377 (15) |
| C23—H23A | 0.9300 | C61—H61A | 0.9300 |
| C24—H24A | 0.9300 | C62—H62B | 0.9300 |
| C25—C26 | 1.374 (12) | ||
| N1—C1—C2 | 123.6 (10) | C23—C22—C21 | 120.0 (17) |
| N1—C1—H1A | 118.2 | C23—C22—H22A | 120.0 |
| C2—C1—H1A | 118.2 | C21—C22—H22A | 120.0 |
| C5—N1—C1 | 118.2 (8) | C22—C23—C24 | 120.1 (14) |
| C5—N1—Tb1 | 119.0 (7) | C22—C23—H23A | 120.0 |
| C1—N1—Tb1 | 120.8 (6) | C24—C23—H23A | 120.0 |
| C18—O1—Tb1 | 128.7 (7) | C19—C24—C23 | 122.4 (12) |
| O2—Tb1—O3 | 83.4 (3) | C19—C24—H24A | 118.8 |
| O2—Tb1—O5 | 145.8 (3) | C23—C24—H24A | 118.8 |
| O3—Tb1—O5 | 78.0 (2) | C18—C25—C26 | 125.0 (9) |
| O2—Tb1—O1 | 72.7 (3) | C18—C25—H25A | 117.5 |
| O3—Tb1—O1 | 77.2 (2) | C26—C25—H25A | 117.5 |
| O5—Tb1—O1 | 75.32 (17) | O2—C26—C25 | 125.4 (8) |
| O2—Tb1—O4 | 76.5 (3) | O2—C26—C27 | 115.5 (9) |
| O3—Tb1—O4 | 72.31 (19) | C25—C26—C27 | 119.0 (8) |
| O5—Tb1—O4 | 123.3 (3) | C28—C27—C32 | 117.1 (8) |
| O1—Tb1—O4 | 138.5 (3) | C28—C27—C26 | 120.9 (7) |
| O2—Tb1—O6 | 142.88 (17) | C32—C27—C26 | 122.0 (8) |
| O3—Tb1—O6 | 115.8 (3) | C27—C28—C29 | 120.5 (9) |
| O5—Tb1—O6 | 71.3 (3) | C27—C28—H28A | 119.8 |
| O1—Tb1—O6 | 139.9 (3) | C29—C28—H28A | 119.8 |
| O4—Tb1—O6 | 79.8 (3) | C30—C29—C28 | 121.7 (10) |
| O2—Tb1—N2 | 103.9 (3) | C30—C29—H29A | 119.1 |
| O3—Tb1—N2 | 148.2 (2) | C28—C29—H29A | 119.1 |
| O5—Tb1—N2 | 79.3 (2) | C29—C30—C31 | 119.5 (9) |
| O1—Tb1—N2 | 75.7 (2) | C29—C30—H30A | 120.2 |
| O4—Tb1—N2 | 139.4 (2) | C31—C30—H30A | 120.2 |
| O6—Tb1—N2 | 76.8 (2) | C30—C31—C32 | 118.6 (10) |
| O2—Tb1—N1 | 75.8 (4) | C30—C31—H31A | 120.7 |
| O3—Tb1—N1 | 148.3 (2) | C32—C31—H31A | 120.7 |
| O5—Tb1—N1 | 131.3 (3) | C27—C32—C31 | 122.5 (10) |
| O1—Tb1—N1 | 117.7 (3) | C27—C32—H32A | 118.7 |
| O4—Tb1—N1 | 79.69 (17) | C31—C32—H32A | 118.7 |
| O6—Tb1—N1 | 72.2 (4) | O3—C33—C40 | 123.2 (9) |
| N2—Tb1—N1 | 61.7 (2) | O3—C33—C34 | 116.8 (8) |
| C3—C2—C1 | 118.0 (10) | C40—C33—C34 | 120.0 (8) |
| C3—C2—H2A | 121.0 | C35—C34—C39 | 119.4 (11) |
| C1—C2—H2A | 121.0 | C35—C34—C33 | 119.3 (9) |
| C6—N2—C10 | 117.0 (7) | C39—C34—C33 | 121.2 (10) |
| C6—N2—Tb1 | 120.7 (5) | C34—C35—C36 | 120.9 (11) |
| C10—N2—Tb1 | 119.5 (6) | C34—C35—H35A | 119.5 |
| C26—O2—Tb1 | 130.0 (8) | C36—C35—H35A | 119.5 |
| C2—C3—C4 | 120.7 (12) | C37—C36—C35 | 119.6 (14) |
| C2—C3—H3A | 119.7 | C37—C36—H36A | 120.2 |
| C4—C3—H3A | 119.7 | C35—C36—H36A | 120.2 |
| C33—O3—Tb1 | 132.1 (6) | C36—C37—C38 | 120.2 (12) |
| C3—C4—C5 | 119.2 (11) | C36—C37—H37A | 119.9 |
| C3—C4—H4A | 120.4 | C38—C37—H37A | 119.9 |
| C5—C4—H4A | 120.4 | C37—C38—C39 | 121.1 (11) |
| C41—O4—Tb1 | 129.8 (6) | C37—C38—H38A | 119.4 |
| N1—C5—C4 | 120.3 (8) | C39—C38—H38A | 119.4 |
| N1—C5—C6 | 117.3 (9) | C34—C39—C38 | 118.7 (11) |
| C4—C5—C6 | 122.4 (9) | C34—C39—H39A | 120.6 |
| C48—O5—Tb1 | 135.5 (8) | C38—C39—H39A | 120.6 |
| N2—C6—C7 | 122.6 (9) | C33—C40—C41 | 126.0 (8) |
| N2—C6—C5 | 114.3 (8) | C33—C40—H40A | 117.0 |
| C7—C6—C5 | 123.1 (10) | C41—C40—H40A | 117.0 |
| C56—O6—Tb1 | 132.0 (7) | O4—C41—C40 | 124.5 (8) |
| C6—C7—C8 | 120.8 (11) | O4—C41—C42 | 115.7 (9) |
| C6—C7—H7A | 119.6 | C40—C41—C42 | 119.9 (8) |
| C8—C7—H7A | 119.6 | C43—C42—C47 | 118.7 (9) |
| C9—C8—C7 | 118.4 (9) | C43—C42—C41 | 118.1 (8) |
| C9—C8—C11 | 117.8 (10) | C47—C42—C41 | 123.1 (9) |
| C7—C8—C11 | 123.8 (12) | C42—C43—C44 | 119.6 (14) |
| C8—C9—C10 | 117.5 (9) | C42—C43—H43A | 120.2 |
| C8—C9—C14 | 118.7 (9) | C44—C43—H43A | 120.2 |
| C10—C9—C14 | 123.6 (10) | C45—C44—C43 | 120.4 (15) |
| N2—C10—C9 | 123.6 (9) | C45—C44—H44A | 119.8 |
| N2—C10—H10A | 118.2 | C43—C44—H44A | 119.8 |
| C9—C10—H10A | 118.2 | C46—C45—C44 | 120.7 (11) |
| C8—C11—C12 | 109.8 (10) | C46—C45—H45A | 119.6 |
| C8—C11—H11A | 109.7 | C44—C45—H45A | 119.6 |
| C12—C11—H11A | 109.7 | C45—C46—C47 | 121.4 (11) |
| C8—C11—H11B | 109.7 | C45—C46—H46A | 119.3 |
| C12—C11—H11B | 109.7 | C47—C46—H46A | 119.3 |
| H11A—C11—H11B | 108.2 | C46—C47—C42 | 119.1 (10) |
| C13—C12—C11 | 113.1 (9) | C46—C47—H47A | 120.4 |
| C13—C12—C15 | 89.5 (10) | C42—C47—H47A | 120.4 |
| C11—C12—C15 | 107.4 (9) | O5—C48—C55 | 123.6 (13) |
| C13—C12—H12A | 114.7 | O5—C48—C49 | 117.4 (12) |
| C11—C12—H12A | 114.7 | C55—C48—C49 | 119.0 (12) |
| C15—C12—H12A | 114.7 | C54—C49—C50 | 117.3 (14) |
| C16—C13—C17 | 108.8 (10) | C54—C49—C48 | 125.8 (13) |
| C16—C13—C12 | 117.6 (12) | C50—C49—C48 | 116.8 (13) |
| C17—C13—C12 | 113.5 (10) | C51—C50—C49 | 120.9 (14) |
| C16—C13—C14 | 118.2 (9) | C51—C50—H50A | 119.6 |
| C17—C13—C14 | 111.3 (11) | C49—C50—H50A | 119.6 |
| C12—C13—C14 | 85.9 (9) | C50—C51—C52 | 120.7 (16) |
| C9—C14—C13 | 109.3 (8) | C50—C51—H51A | 119.6 |
| C9—C14—C15 | 105.3 (9) | C52—C51—H51A | 119.6 |
| C13—C14—C15 | 85.9 (8) | C53—C52—C51 | 119.8 (16) |
| C9—C14—H14A | 117.3 | C53—C52—H52A | 120.1 |
| C13—C14—H14A | 117.3 | C51—C52—H52A | 120.1 |
| C15—C14—H14A | 117.3 | C52—C53—C54 | 120.0 (12) |
| C12—C15—C14 | 85.2 (7) | C52—C53—H53A | 120.0 |
| C12—C15—H15A | 114.5 | C54—C53—H53A | 120.0 |
| C14—C15—H15A | 114.5 | C49—C54—C53 | 121.2 (11) |
| C12—C15—H15B | 114.5 | C49—C54—H54A | 119.4 |
| C14—C15—H15B | 114.5 | C53—C54—H54A | 119.4 |
| H15A—C15—H15B | 111.6 | C56—C55—C48 | 123.8 (9) |
| C13—C16—H16A | 109.5 | C56—C55—H55A | 118.1 |
| C13—C16—H16B | 109.5 | C48—C55—H55A | 118.1 |
| H16A—C16—H16B | 109.5 | O6—C56—C55 | 123.8 (9) |
| C13—C16—H16C | 109.5 | O6—C56—C57 | 115.4 (9) |
| H16A—C16—H16C | 109.5 | C55—C56—C57 | 120.9 (8) |
| H16B—C16—H16C | 109.5 | C58—C57—C62 | 118.4 (9) |
| C13—C17—H17A | 109.5 | C58—C57—C56 | 119.5 (9) |
| C13—C17—H17B | 109.5 | C62—C57—C56 | 122.1 (9) |
| H17A—C17—H17B | 109.5 | C57—C58—C59 | 119.9 (11) |
| C13—C17—H17C | 109.5 | C57—C58—H58A | 120.1 |
| H17A—C17—H17C | 109.5 | C59—C58—H58A | 120.1 |
| H17B—C17—H17C | 109.5 | C60—C59—C58 | 119.5 (13) |
| O1—C18—C25 | 124.4 (12) | C60—C59—H59A | 120.3 |
| O1—C18—C19 | 112.2 (12) | C58—C59—H59A | 120.3 |
| C25—C18—C19 | 123.4 (11) | C61—C60—C59 | 120.9 (13) |
| C24—C19—C20 | 118.0 (14) | C61—C60—H60A | 119.5 |
| C24—C19—C18 | 121.0 (13) | C59—C60—H60A | 119.5 |
| C20—C19—C18 | 120.8 (14) | C60—C61—C62 | 120.5 (12) |
| C19—C20—C21 | 119.2 (14) | C60—C61—H61A | 119.7 |
| C19—C20—H20A | 120.4 | C62—C61—H61A | 119.7 |
| C21—C20—H20A | 120.4 | C61—C62—C57 | 120.6 (11) |
| C22—C21—C20 | 120.1 (15) | C61—C62—H62B | 119.7 |
| C22—C21—H21A | 119.9 | C57—C62—H62B | 119.7 |
| C20—C21—H21A | 119.9 | ||
| C2—C1—N1—C5 | 2(2) | C8—C9—C14—C13 | −45.9 (14) |
| C2—C1—N1—Tb1 | −161.5 (13) | C10—C9—C14—C13 | 128.2 (10) |
| C18—O1—Tb1—O2 | 36.6 (11) | C8—C9—C14—C15 | 45.0 (12) |
| C18—O1—Tb1—O3 | −50.4 (11) | C10—C9—C14—C15 | −140.9 (9) |
| C18—O1—Tb1—O5 | −131.1 (11) | C16—C13—C14—C9 | −41.5 (16) |
| C18—O1—Tb1—O4 | −7.1 (12) | C17—C13—C14—C9 | −168.5 (11) |
| C18—O1—Tb1—O6 | −165.4 (10) | C12—C13—C14—C9 | 77.8 (10) |
| C18—O1—Tb1—N2 | 146.4 (11) | C16—C13—C14—C15 | −146.2 (13) |
| C18—O1—Tb1—N1 | 99.7 (11) | C17—C13—C14—C15 | 86.7 (11) |
| C5—N1—Tb1—O2 | 135.2 (9) | C12—C13—C14—C15 | −26.9 (8) |
| C1—N1—Tb1—O2 | −61.4 (10) | C13—C12—C15—C14 | −27.7 (8) |
| C5—N1—Tb1—O3 | −174.3 (6) | C11—C12—C15—C14 | 86.4 (9) |
| C1—N1—Tb1—O3 | −10.8 (14) | C9—C14—C15—C12 | −82.0 (8) |
| C5—N1—Tb1—O5 | −20.7 (10) | C13—C14—C15—C12 | 26.9 (9) |
| C1—N1—Tb1—O5 | 142.8 (9) | Tb1—O1—C18—C25 | −28.7 (19) |
| C5—N1—Tb1—O1 | 73.9 (10) | Tb1—O1—C18—C19 | 153.1 (9) |
| C1—N1—Tb1—O1 | −122.7 (9) | O1—C18—C19—C24 | −159.4 (12) |
| C5—N1—Tb1—O4 | −146.3 (9) | C25—C18—C19—C24 | 22 (2) |
| C1—N1—Tb1—O4 | 17.2 (10) | O1—C18—C19—C20 | 25 (2) |
| C5—N1—Tb1—O6 | −63.8 (9) | C25—C18—C19—C20 | −153.2 (13) |
| C1—N1—Tb1—O6 | 99.7 (10) | C24—C19—C20—C21 | 3(2) |
| C5—N1—Tb1—N2 | 20.6 (7) | C18—C19—C20—C21 | 178.5 (15) |
| C1—N1—Tb1—N2 | −176.0 (12) | C19—C20—C21—C22 | 0(3) |
| N1—C1—C2—C3 | −2(3) | C20—C21—C22—C23 | −2(3) |
| O2—Tb1—N2—C6 | −88.2 (6) | C21—C22—C23—C24 | 1(3) |
| O3—Tb1—N2—C6 | 171.8 (5) | C20—C19—C24—C23 | −4(2) |
| O5—Tb1—N2—C6 | 126.7 (6) | C18—C19—C24—C23 | −179.5 (13) |
| O1—Tb1—N2—C6 | −155.9 (6) | C22—C23—C24—C19 | 2(2) |
| O4—Tb1—N2—C6 | −2.9 (8) | O1—C18—C25—C26 | −3(2) |
| O6—Tb1—N2—C6 | 53.6 (6) | C19—C18—C25—C26 | 175.1 (13) |
| N1—Tb1—N2—C6 | −23.0 (6) | Tb1—O2—C26—C25 | 23.7 (16) |
| O2—Tb1—N2—C10 | 111.7 (5) | Tb1—O2—C26—C27 | −156.6 (6) |
| O3—Tb1—N2—C10 | 11.6 (7) | C18—C25—C26—O2 | 5.8 (19) |
| O5—Tb1—N2—C10 | −33.4 (5) | C18—C25—C26—C27 | −173.8 (11) |
| O1—Tb1—N2—C10 | 43.9 (5) | O2—C26—C27—C28 | 25.8 (14) |
| O4—Tb1—N2—C10 | −163.0 (6) | C25—C26—C27—C28 | −154.6 (10) |
| O6—Tb1—N2—C10 | −106.6 (6) | O2—C26—C27—C32 | −154.9 (10) |
| N1—Tb1—N2—C10 | 176.8 (6) | C25—C26—C27—C32 | 24.8 (15) |
| O3—Tb1—O2—C26 | 44.0 (9) | C32—C27—C28—C29 | −1.3 (17) |
| O5—Tb1—O2—C26 | −13.2 (12) | C26—C27—C28—C29 | 178.0 (11) |
| O1—Tb1—O2—C26 | −34.6 (9) | C27—C28—C29—C30 | 0.4 (19) |
| O4—Tb1—O2—C26 | 117.4 (9) | C28—C29—C30—C31 | 2(2) |
| O6—Tb1—O2—C26 | 169.1 (9) | C29—C30—C31—C32 | −2.8 (19) |
| N2—Tb1—O2—C26 | −104.5 (9) | C28—C27—C32—C31 | 0.2 (18) |
| N1—Tb1—O2—C26 | −160.0 (10) | C26—C27—C32—C31 | −179.2 (11) |
| C1—C2—C3—C4 | 2(3) | C30—C31—C32—C27 | 2(2) |
| O2—Tb1—O3—C33 | 43.7 (7) | Tb1—O3—C33—C40 | 24.6 (12) |
| O5—Tb1—O3—C33 | −165.2 (7) | Tb1—O3—C33—C34 | −154.1 (6) |
| O1—Tb1—O3—C33 | 117.4 (7) | O3—C33—C34—C35 | 13.6 (14) |
| O4—Tb1—O3—C33 | −34.1 (7) | C40—C33—C34—C35 | −165.1 (9) |
| O6—Tb1—O3—C33 | −103.0 (7) | O3—C33—C34—C39 | −163.8 (9) |
| N2—Tb1—O3—C33 | 149.5 (6) | C40—C33—C34—C39 | 17.4 (14) |
| N1—Tb1—O3—C33 | −5.1 (9) | C39—C34—C35—C36 | −1.5 (17) |
| C2—C3—C4—C5 | −2(2) | C33—C34—C35—C36 | −179.0 (10) |
| O2—Tb1—O4—C41 | −53.6 (9) | C34—C35—C36—C37 | −2(2) |
| O3—Tb1—O4—C41 | 33.7 (8) | C35—C36—C37—C38 | 4(2) |
| O5—Tb1—O4—C41 | 95.7 (10) | C36—C37—C38—C39 | −2.4 (19) |
| O1—Tb1—O4—C41 | −10.9 (11) | C35—C34—C39—C38 | 3.2 (16) |
| O6—Tb1—O4—C41 | 155.2 (10) | C33—C34—C39—C38 | −179.4 (9) |
| N2—Tb1—O4—C41 | −149.2 (7) | C37—C38—C39—C34 | −1.3 (17) |
| N1—Tb1—O4—C41 | −131.3 (10) | O3—C33—C40—C41 | 5.3 (15) |
| C1—N1—C5—C4 | −1.9 (17) | C34—C33—C40—C41 | −176.0 (9) |
| Tb1—N1—C5—C4 | 161.9 (8) | Tb1—O4—C41—C40 | −24.9 (14) |
| C1—N1—C5—C6 | 178.1 (9) | Tb1—O4—C41—C42 | 153.9 (6) |
| Tb1—N1—C5—C6 | −18.0 (12) | C33—C40—C41—O4 | −4.4 (16) |
| C3—C4—C5—N1 | 1.8 (17) | C33—C40—C41—C42 | 176.8 (8) |
| C3—C4—C5—C6 | −178.2 (10) | O4—C41—C42—C43 | 18.0 (13) |
| O2—Tb1—O5—C48 | −150.4 (10) | C40—C41—C42—C43 | −163.1 (9) |
| O3—Tb1—O5—C48 | 151.0 (10) | O4—C41—C42—C47 | −162.8 (10) |
| O1—Tb1—O5—C48 | −129.3 (10) | C40—C41—C42—C47 | 16.1 (14) |
| O4—Tb1—O5—C48 | 91.7 (11) | C47—C42—C43—C44 | −2.2 (18) |
| O6—Tb1—O5—C48 | 28.2 (10) | C41—C42—C43—C44 | 177.1 (12) |
| N2—Tb1—O5—C48 | −51.4 (10) | C42—C43—C44—C45 | 1(2) |
| N1—Tb1—O5—C48 | −15.2 (11) | C43—C44—C45—C46 | −1(2) |
| C10—N2—C6—C7 | 2.7 (12) | C44—C45—C46—C47 | 2(2) |
| Tb1—N2—C6—C7 | −157.9 (7) | C45—C46—C47—C42 | −3(2) |
| C10—N2—C6—C5 | −176.0 (7) | C43—C42—C47—C46 | 3.0 (16) |
| Tb1—N2—C6—C5 | 23.4 (9) | C41—C42—C47—C46 | −176.2 (10) |
| N1—C5—C6—N2 | −3.1 (12) | Tb1—O5—C48—C55 | −23.3 (18) |
| C4—C5—C6—N2 | 176.9 (9) | Tb1—O5—C48—C49 | 157.7 (9) |
| N1—C5—C6—C7 | 178.2 (10) | O5—C48—C49—C54 | 158.3 (12) |
| C4—C5—C6—C7 | −1.8 (14) | C55—C48—C49—C54 | −21 (2) |
| O2—Tb1—O6—C56 | 146.4 (10) | O5—C48—C49—C50 | −25.9 (19) |
| O3—Tb1—O6—C56 | −98.2 (10) | C55—C48—C49—C50 | 155.0 (11) |
| O5—Tb1—O6—C56 | −32.2 (10) | C54—C49—C50—C51 | 0(2) |
| O1—Tb1—O6—C56 | 2.9 (13) | C48—C49—C50—C51 | −175.8 (15) |
| O4—Tb1—O6—C56 | −162.7 (11) | C49—C50—C51—C52 | −2(3) |
| N2—Tb1—O6—C56 | 50.8 (10) | C50—C51—C52—C53 | 3(3) |
| N1—Tb1—O6—C56 | 114.9 (11) | C51—C52—C53—C54 | −1(2) |
| N2—C6—C7—C8 | −0.9 (15) | C50—C49—C54—C53 | 1(2) |
| C5—C6—C7—C8 | 177.7 (9) | C48—C49—C54—C53 | 177.1 (13) |
| C6—C7—C8—C9 | −3.4 (16) | C52—C53—C54—C49 | −1(2) |
| C6—C7—C8—C11 | 175.9 (9) | O5—C48—C55—C56 | 5.6 (18) |
| C7—C8—C9—C10 | 5.5 (16) | C49—C48—C55—C56 | −175.4 (11) |
| C11—C8—C9—C10 | −173.9 (9) | Tb1—O6—C56—C55 | 33.0 (16) |
| C7—C8—C9—C14 | 180.0 (9) | Tb1—O6—C56—C57 | −147.2 (8) |
| C11—C8—C9—C14 | 0.6 (15) | C48—C55—C56—O6 | −11.1 (17) |
| C6—N2—C10—C9 | −0.3 (12) | C48—C55—C56—C57 | 169.2 (10) |
| Tb1—N2—C10—C9 | 160.6 (6) | O6—C56—C57—C58 | −15.3 (14) |
| C8—C9—C10—N2 | −3.9 (14) | C55—C56—C57—C58 | 164.5 (10) |
| C14—C9—C10—N2 | −178.0 (8) | O6—C56—C57—C62 | 164.1 (10) |
| C9—C8—C11—C12 | 0.4 (14) | C55—C56—C57—C62 | −16.1 (15) |
| C7—C8—C11—C12 | −179.0 (10) | C62—C57—C58—C59 | −2.9 (19) |
| C8—C11—C12—C13 | 47.2 (12) | C56—C57—C58—C59 | 176.5 (12) |
| C8—C11—C12—C15 | −50.0 (12) | C57—C58—C59—C60 | 1(2) |
| C11—C12—C13—C16 | 39.0 (13) | C58—C59—C60—C61 | 2(2) |
| C15—C12—C13—C16 | 147.8 (10) | C59—C60—C61—C62 | −3(2) |
| C11—C12—C13—C17 | 167.7 (10) | C60—C61—C62—C57 | 1(2) |
| C15—C12—C13—C17 | −83.6 (11) | C58—C57—C62—C61 | 1.9 (18) |
| C11—C12—C13—C14 | −80.8 (10) | C56—C57—C62—C61 | −177.5 (11) |
| C15—C12—C13—C14 | 27.9 (8) |
Selected geometric parameters (Å, °)
| N1—Tb1 | 2.589 (6) |
| Tb1—O2 | 2.328 (9) |
| Tb1—O3 | 2.312 (7) |
| Tb1—O5 | 2.341 (7) |
| Tb1—O4 | 2.353 (4) |
| Tb1—O6 | 2.372 (7) |
| Tb1—N2 | 2.569 (6) |