| Literature DB >> 21201993 |
Luís Cunha-Silva, Paula C R Soares-Santos, Helena I S Nogueira, Tito Trindade, Jacek Klinowski, João Rocha, Filipe A Almeida Paz.
Abstract
In the title compound, [KTb(C(6)H(4)NO(2))(4)(H(2)O)]·2.5H(2)O, each Tb(3+) centre is coordinated by four N and five O atoms from five distinct picolinate ligands in a geometry resembling a highly distorted tricapped trigonal prism. One of the ligands establishes a skew bridge between neighbouring Tb(3+) centres, leading to the formation of one-dimensional anionic polymeric chains, {[(C(6)H(4)NO(2))(4)Tb](-)}(n), running along the direction [010]. Each K(+) cation is seven-coordinated by six O atoms from one anionic polymeric chain and one water mol-ecule [K⋯O 2.676 (3)-3.208 (4) Å]. The uncoordinated water mol-ecules are involved in O-H⋯O hydrogen bonding.Entities:
Year: 2008 PMID: 21201993 PMCID: PMC2961046 DOI: 10.1107/S1600536808005758
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [KTb(C6H4NO2)4(H2O)]·2.5H2O | |
| Hexagonal, | |
| Hall symbol: P 65 2 (0 0 1) | Mo |
| Cell parameters from 28400 reflections | |
| θ = 1.0–25.0º | |
| µ = 2.64 mm−1 | |
| α = 90º | |
| β = 90º | Block, colourless |
| γ = 120º | 0.39 × 0.28 × 0.23 mm |
| Nonius KappaCCD diffractometer | 4488 reflections with |
| Radiation source: fine-focus sealed tube | |
| θmax = 25.0º | |
| Thin slice ω and φ scans | θmin = 3.6º |
| Absorption correction: multi-scan(SORTAV; Blessing, 1995) | |
| 31023 measured reflections | |
| 5031 independent reflections |
| Refinement on | Hydrogen site location: inferred from neighbouring sites |
| Least-squares matrix: full | H-atom parameters constrained |
| | |
| (Δ/σ)max = 0.004 | |
| Δρmax = 1.00 e Å−3 | |
| 5031 reflections | Δρmin = −0.70 e Å−3 |
| 377 parameters | Extinction correction: none |
| 14 restraints | Absolute structure: Flack (1983) |
| Primary atom site location: structure-invariant direct methods | Flack parameter: −0.020 (15) |
| Secondary atom site location: difference Fourier map |
| Experimental. Please see the details in the main paper |
| 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 |
| Tb1 | 0.078634 (13) | 0.533458 (14) | 0.005432 (2) | 0.03612 (4) | |
| K1 | −0.23692 (8) | 0.38564 (10) | 0.040543 (15) | 0.0593 (3) | |
| O1 | −0.0725 (2) | 0.3470 (2) | 0.02072 (4) | 0.0505 (7) | |
| O2 | −0.2334 (3) | 0.1630 (3) | 0.01703 (6) | 0.0757 (11) | |
| O3 | 0.00810 (19) | 0.6012 (2) | 0.03429 (4) | 0.0404 (6) | |
| O4 | 0.0360 (2) | 0.7288 (3) | 0.06104 (4) | 0.0560 (8) | |
| O5 | 0.1777 (2) | 0.6215 (2) | −0.02676 (4) | 0.0507 (7) | |
| O6 | 0.2602 (3) | 0.7599 (3) | −0.05195 (5) | 0.0925 (10) | |
| O7 | 0.4239 (2) | 0.5234 (2) | 0.01432 (4) | 0.0454 (7) | |
| O8 | 0.2598 (2) | 0.5230 (2) | 0.00168 (4) | 0.0413 (6) | |
| N1 | 0.0152 (3) | 0.3362 (3) | −0.01757 (5) | 0.0512 (9) | |
| N2 | 0.2430 (2) | 0.7330 (3) | 0.02245 (5) | 0.0428 (8) | |
| N3 | 0.0606 (3) | 0.7255 (3) | −0.00984 (5) | 0.0445 (8) | |
| N4 | 0.1596 (2) | 0.4834 (3) | 0.04055 (5) | 0.0423 (8) | |
| C1 | −0.1366 (4) | 0.2477 (4) | 0.01065 (7) | 0.0565 (12) | |
| C2 | −0.0837 (3) | 0.2389 (3) | −0.01096 (7) | 0.0514 (10) | |
| C3 | −0.1393 (4) | 0.1320 (4) | −0.02296 (9) | 0.0729 (14) | |
| H3 | −0.2113 | 0.0629 | −0.0180 | 0.087* | |
| C4 | −0.0875 (4) | 0.1287 (5) | −0.04229 (8) | 0.0797 (15) | |
| H4 | −0.1221 | 0.0570 | −0.0507 | 0.096* | |
| C5 | 0.0153 (4) | 0.2318 (5) | −0.04897 (8) | 0.0765 (15) | |
| H5 | 0.0527 | 0.2326 | −0.0622 | 0.092* | |
| C6 | 0.0631 (4) | 0.3330 (4) | −0.03634 (7) | 0.0663 (13) | |
| H6 | 0.1336 | 0.4042 | −0.0412 | 0.080* | |
| C7 | 0.0742 (3) | 0.6955 (4) | 0.04553 (6) | 0.0476 (10) | |
| C8 | 0.2077 (3) | 0.7708 (4) | 0.03953 (6) | 0.0472 (10) | |
| C9 | 0.2864 (4) | 0.8706 (4) | 0.05138 (7) | 0.0605 (13) | |
| H9 | 0.2593 | 0.8927 | 0.0639 | 0.073* | |
| C10 | 0.4059 (4) | 0.9384 (4) | 0.04475 (8) | 0.0684 (15) | |
| H10 | 0.4620 | 1.0087 | 0.0525 | 0.082* | |
| C11 | 0.4415 (4) | 0.9027 (4) | 0.02702 (8) | 0.0592 (13) | |
| H11 | 0.5228 | 0.9482 | 0.0220 | 0.071* | |
| C12 | 0.3585 (3) | 0.7999 (4) | 0.01633 (7) | 0.0489 (11) | |
| H12 | 0.3847 | 0.7752 | 0.0040 | 0.059* | |
| C13 | 0.1919 (4) | 0.7149 (4) | −0.03693 (6) | 0.0528 (11) | |
| C14 | 0.1186 (3) | 0.7695 (3) | −0.02886 (7) | 0.0500 (11) | |
| C15 | 0.1069 (4) | 0.8548 (4) | −0.04020 (8) | 0.0673 (13) | |
| H15 | 0.1495 | 0.8849 | −0.0533 | 0.081* | |
| C16 | 0.0336 (4) | 0.8974 (5) | −0.03266 (9) | 0.0832 (16) | |
| H16 | 0.0237 | 0.9560 | −0.0405 | 0.100* | |
| C17 | −0.0243 (4) | 0.8527 (4) | −0.01355 (10) | 0.0710 (15) | |
| H17 | −0.0758 | 0.8802 | −0.0079 | 0.085* | |
| C18 | −0.0092 (3) | 0.7700 (4) | −0.00260 (8) | 0.0546 (12) | |
| H18 | −0.0495 | 0.7418 | 0.0108 | 0.066* | |
| C19 | 0.3216 (3) | 0.5129 (3) | 0.01674 (6) | 0.0361 (9) | |
| C20 | 0.2693 (3) | 0.4904 (3) | 0.03900 (6) | 0.0379 (9) | |
| C21 | 0.3275 (3) | 0.4709 (4) | 0.05577 (6) | 0.0529 (10) | |
| H21 | 0.4045 | 0.4771 | 0.0538 | 0.063* | |
| C22 | 0.2705 (4) | 0.4417 (5) | 0.07585 (7) | 0.0629 (13) | |
| H22 | 0.3083 | 0.4275 | 0.0878 | 0.075* | |
| C23 | 0.1574 (4) | 0.4335 (4) | 0.07812 (7) | 0.0610 (13) | |
| H23 | 0.1165 | 0.4145 | 0.0916 | 0.073* | |
| C24 | 0.1061 (3) | 0.4547 (4) | 0.05951 (6) | 0.0539 (11) | |
| H24 | 0.0285 | 0.4478 | 0.0608 | 0.065* | |
| O1W | 0.06278 (19) | 0.93722 (19) | 0.0833 | 0.0632 (11) | |
| H1W | 0.0617 | 0.8930 | 0.0732 | 0.095* | |
| O2W | 0.5413 (3) | 0.4587 (3) | 0.0833 | 0.134 (2) | |
| H2W | 0.5540 | 0.4285 | 0.0722 | 0.200* | |
| O3W | −0.1780 (4) | 0.5373 (5) | 0.07365 (6) | 0.145 (3) | |
| H3WA | −0.1443 | 0.5384 | 0.0857 | 0.218* | |
| H3WB | −0.2010 | 0.5906 | 0.0761 | 0.218* | |
| O4W | 0.7402 (6) | 0.1052 (5) | 0.05936 (7) | 0.188 (4) | |
| H4WA | 0.7373 | 0.1610 | 0.0670 | 0.282* | |
| H4WB | 0.7729 | 0.1408 | 0.0475 | 0.282* | |
| O5W | 0.9314 (6) | 0.0686 (6) | 0.0833 | 0.262 (6) | |
| H5W | 0.9021 | 0.0847 | 0.0723 | 0.393* |
| Tb1 | 0.03522 (7) | 0.04700 (8) | 0.03202 (8) | 0.02495 (6) | 0.00027 (6) | −0.00075 (7) |
| K1 | 0.0491 (4) | 0.0827 (5) | 0.0514 (5) | 0.0369 (4) | −0.0055 (4) | 0.0029 (5) |
| O1 | 0.0550 (13) | 0.0407 (12) | 0.0521 (15) | 0.0211 (10) | −0.0067 (13) | 0.0005 (11) |
| O2 | 0.0649 (18) | 0.0485 (16) | 0.088 (2) | 0.0088 (14) | −0.0043 (18) | −0.0049 (16) |
| O3 | 0.0358 (10) | 0.0519 (12) | 0.0356 (12) | 0.0235 (9) | 0.0025 (10) | −0.0050 (10) |
| O4 | 0.0474 (13) | 0.0689 (15) | 0.0482 (15) | 0.0264 (11) | 0.0052 (12) | −0.0175 (12) |
| O5 | 0.0628 (12) | 0.0699 (13) | 0.0379 (13) | 0.0471 (10) | 0.0083 (11) | 0.0070 (11) |
| O6 | 0.154 (2) | 0.1116 (19) | 0.0538 (17) | 0.0975 (16) | 0.0544 (17) | 0.0407 (14) |
| O7 | 0.0386 (10) | 0.0549 (13) | 0.0459 (14) | 0.0257 (9) | 0.0029 (10) | −0.0006 (11) |
| O8 | 0.0426 (9) | 0.0566 (12) | 0.0356 (12) | 0.0330 (9) | 0.0007 (10) | 0.0010 (10) |
| N1 | 0.0494 (14) | 0.0641 (16) | 0.0513 (18) | 0.0368 (12) | −0.0120 (14) | −0.0162 (15) |
| N2 | 0.0384 (13) | 0.0492 (15) | 0.0416 (16) | 0.0226 (11) | 0.0020 (13) | −0.0011 (13) |
| N3 | 0.0409 (13) | 0.0536 (14) | 0.0439 (16) | 0.0271 (12) | 0.0000 (13) | −0.0008 (13) |
| N4 | 0.0395 (12) | 0.0607 (16) | 0.0319 (14) | 0.0290 (11) | 0.0025 (12) | 0.0060 (13) |
| C1 | 0.0606 (19) | 0.0488 (18) | 0.066 (3) | 0.0320 (16) | −0.021 (2) | −0.0019 (19) |
| C2 | 0.0586 (17) | 0.0459 (16) | 0.063 (2) | 0.0366 (13) | −0.0211 (18) | −0.0112 (16) |
| C3 | 0.082 (2) | 0.058 (2) | 0.088 (3) | 0.0421 (18) | −0.028 (2) | −0.021 (2) |
| C4 | 0.090 (3) | 0.085 (3) | 0.082 (3) | 0.057 (2) | −0.039 (2) | −0.043 (2) |
| C5 | 0.069 (2) | 0.111 (3) | 0.067 (3) | 0.058 (2) | −0.023 (2) | −0.045 (2) |
| C6 | 0.0546 (19) | 0.084 (2) | 0.071 (3) | 0.0421 (18) | −0.011 (2) | −0.025 (2) |
| C7 | 0.0425 (16) | 0.066 (2) | 0.042 (2) | 0.0323 (14) | −0.0012 (16) | −0.0020 (17) |
| C8 | 0.0493 (18) | 0.0567 (19) | 0.0365 (19) | 0.0271 (15) | −0.0025 (16) | −0.0033 (16) |
| C9 | 0.058 (2) | 0.062 (2) | 0.062 (3) | 0.0294 (17) | −0.006 (2) | −0.0259 (19) |
| C10 | 0.050 (2) | 0.058 (2) | 0.085 (3) | 0.0187 (19) | −0.011 (2) | −0.019 (2) |
| C11 | 0.0401 (18) | 0.055 (2) | 0.074 (3) | 0.0179 (16) | 0.006 (2) | 0.005 (2) |
| C12 | 0.0437 (17) | 0.060 (2) | 0.044 (2) | 0.0267 (15) | 0.0059 (17) | 0.0056 (18) |
| C13 | 0.069 (2) | 0.067 (2) | 0.037 (2) | 0.0454 (16) | 0.0036 (17) | 0.0095 (17) |
| C14 | 0.0554 (19) | 0.053 (2) | 0.046 (2) | 0.0308 (15) | −0.0032 (17) | 0.0009 (17) |
| C15 | 0.083 (2) | 0.068 (2) | 0.066 (3) | 0.0491 (18) | 0.013 (2) | 0.019 (2) |
| C16 | 0.093 (2) | 0.087 (2) | 0.099 (4) | 0.067 (2) | 0.026 (3) | 0.032 (3) |
| C17 | 0.061 (2) | 0.056 (2) | 0.110 (4) | 0.0400 (16) | 0.015 (2) | 0.005 (2) |
| C18 | 0.0450 (17) | 0.0511 (19) | 0.071 (3) | 0.0263 (15) | −0.001 (2) | −0.0019 (19) |
| C19 | 0.0285 (14) | 0.0402 (16) | 0.0403 (19) | 0.0178 (12) | 0.0058 (14) | 0.0015 (14) |
| C20 | 0.0377 (15) | 0.0406 (16) | 0.0370 (18) | 0.0209 (12) | 0.0009 (14) | 0.0014 (14) |
| C21 | 0.0492 (16) | 0.077 (2) | 0.045 (2) | 0.0410 (15) | 0.0004 (16) | 0.0020 (19) |
| C22 | 0.070 (2) | 0.093 (3) | 0.038 (2) | 0.0504 (19) | −0.0038 (18) | 0.008 (2) |
| C23 | 0.059 (2) | 0.082 (3) | 0.044 (2) | 0.0368 (19) | 0.0064 (18) | 0.0116 (19) |
| C24 | 0.0479 (17) | 0.078 (2) | 0.043 (2) | 0.0369 (16) | 0.0033 (16) | 0.0074 (18) |
| O1W | 0.0694 (12) | 0.0694 (12) | 0.059 (2) | 0.0408 (16) | −0.008 (2) | −0.008 (2) |
| O2W | 0.171 (2) | 0.171 (2) | 0.121 (5) | 0.133 (3) | −0.048 (4) | −0.048 (4) |
| O3W | 0.102 (3) | 0.166 (5) | 0.055 (2) | −0.018 (3) | 0.010 (2) | −0.023 (3) |
| O4W | 0.199 (6) | 0.164 (6) | 0.119 (4) | 0.029 (5) | −0.018 (5) | 0.028 (4) |
| O5W | 0.281 (6) | 0.281 (6) | 0.282 (12) | 0.184 (8) | −0.151 (8) | −0.151 (8) |
| Tb1—O1 | 2.380 (2) | C3—H3 | 0.9500 |
| Tb1—O3 | 2.354 (2) | C4—C5 | 1.373 (7) |
| Tb1—O5 | 2.333 (2) | C4—H4 | 0.9500 |
| Tb1—O7i | 2.352 (3) | C5—C6 | 1.365 (7) |
| Tb1—O8 | 2.385 (3) | C5—H5 | 0.9500 |
| Tb1—N1 | 2.640 (3) | C6—H6 | 0.9500 |
| Tb1—N2 | 2.575 (3) | C7—C8 | 1.520 (5) |
| Tb1—N3 | 2.736 (4) | C8—C9 | 1.374 (5) |
| Tb1—N4 | 2.626 (3) | C9—C10 | 1.383 (6) |
| K1—O1 | 2.676 (3) | C9—H9 | 0.9500 |
| K1—O2 | 3.208 (4) | C10—C11 | 1.354 (7) |
| K1—O3 | 2.972 (2) | C10—H10 | 0.9500 |
| K1—O5i | 2.725 (3) | C11—C12 | 1.373 (6) |
| K1—O6i | 2.985 (4) | C11—H11 | 0.9500 |
| K1—O8i | 2.959 (2) | C12—H12 | 0.9500 |
| K1—O3W | 2.661 (5) | C13—C14 | 1.501 (7) |
| Tb1—K1 | 4.1075 (9) | C13—K1ii | 3.204 (5) |
| Tb1—K1ii | 4.4471 (10) | C14—C15 | 1.364 (6) |
| K1—Tb1i | 4.4471 (10) | C15—C16 | 1.374 (8) |
| O1—C1 | 1.274 (5) | C15—H15 | 0.9500 |
| O2—C1 | 1.228 (5) | C16—C17 | 1.364 (8) |
| O3—C7 | 1.276 (4) | C16—H16 | 0.9500 |
| O4—C7 | 1.246 (5) | C17—C18 | 1.345 (7) |
| O5—C13 | 1.276 (5) | C17—H17 | 0.9500 |
| O5—K1ii | 2.725 (3) | C18—H18 | 0.9500 |
| O6—C13 | 1.207 (5) | C19—C20 | 1.501 (5) |
| O6—K1ii | 2.985 (4) | C20—C21 | 1.372 (6) |
| O7—C19 | 1.248 (4) | C21—C22 | 1.398 (6) |
| O7—Tb1ii | 2.352 (3) | C21—H21 | 0.9500 |
| O8—C19 | 1.271 (4) | C22—C23 | 1.397 (7) |
| O8—K1ii | 2.959 (2) | C22—H22 | 0.9500 |
| N1—C2 | 1.314 (5) | C23—C24 | 1.420 (6) |
| N1—C6 | 1.327 (5) | C23—H23 | 0.9500 |
| N2—C12 | 1.333 (5) | C24—H24 | 0.9500 |
| N2—C8 | 1.334 (5) | O1W—H1W | 0.8423 |
| N3—C18 | 1.347 (6) | O2W—H2W | 0.8472 |
| N3—C14 | 1.358 (5) | O3W—H3WA | 0.8616 |
| N4—C24 | 1.319 (5) | O3W—H3WB | 0.8749 |
| N4—C20 | 1.356 (5) | O4W—H4WA | 0.8712 |
| C1—C2 | 1.532 (6) | O4W—H4WB | 0.8598 |
| C2—C3 | 1.394 (6) | O5W—H5W | 0.8517 |
| C3—C4 | 1.383 (7) | ||
| O5—Tb1—O7i | 84.54 (9) | C1—O1—Tb1 | 126.1 (3) |
| O5—Tb1—O3 | 133.84 (9) | C1—O1—K1 | 103.8 (3) |
| O7i—Tb1—O3 | 91.51 (8) | Tb1—O1—K1 | 108.51 (11) |
| O5—Tb1—O1 | 142.62 (9) | C1—O2—K1 | 79.9 (3) |
| O7i—Tb1—O1 | 74.24 (9) | C7—O3—Tb1 | 124.7 (2) |
| O3—Tb1—O1 | 78.10 (9) | C7—O3—K1 | 133.6 (2) |
| O5—Tb1—O8 | 68.75 (9) | Tb1—O3—K1 | 100.26 (8) |
| O7i—Tb1—O8 | 137.81 (8) | C13—O5—Tb1 | 131.6 (3) |
| O3—Tb1—O8 | 130.58 (8) | C13—O5—K1ii | 100.0 (2) |
| O1—Tb1—O8 | 107.77 (9) | Tb1—O5—K1ii | 122.89 (12) |
| O5—Tb1—N2 | 84.42 (9) | C13—O6—K1ii | 89.2 (3) |
| O7i—Tb1—N2 | 134.49 (10) | C19—O7—Tb1ii | 147.0 (2) |
| O3—Tb1—N2 | 66.16 (8) | C19—O8—Tb1 | 126.7 (2) |
| O1—Tb1—N2 | 132.14 (9) | C19—O8—K1ii | 118.6 (2) |
| O8—Tb1—N2 | 76.37 (9) | Tb1—O8—K1ii | 112.22 (9) |
| O5—Tb1—N4 | 130.37 (9) | C2—N1—C6 | 119.0 (4) |
| O7i—Tb1—N4 | 142.63 (9) | C2—N1—Tb1 | 114.8 (3) |
| O3—Tb1—N4 | 73.81 (10) | C6—N1—Tb1 | 125.4 (3) |
| O1—Tb1—N4 | 69.22 (9) | C12—N2—C8 | 117.4 (3) |
| O8—Tb1—N4 | 63.97 (9) | C12—N2—Tb1 | 127.1 (3) |
| N2—Tb1—N4 | 70.92 (10) | C8—N2—Tb1 | 115.4 (2) |
| O5—Tb1—N1 | 79.95 (10) | C18—N3—C14 | 117.1 (4) |
| O7i—Tb1—N1 | 68.57 (9) | C18—N3—Tb1 | 128.8 (3) |
| O3—Tb1—N1 | 140.33 (8) | C14—N3—Tb1 | 113.5 (3) |
| O1—Tb1—N1 | 63.84 (10) | C24—N4—C20 | 116.9 (3) |
| O8—Tb1—N1 | 74.85 (9) | C24—N4—Tb1 | 126.9 (3) |
| N2—Tb1—N1 | 150.65 (10) | C20—N4—Tb1 | 116.1 (2) |
| N4—Tb1—N1 | 101.03 (11) | O2—C1—O1 | 125.0 (4) |
| O5—Tb1—N3 | 62.59 (10) | O2—C1—C2 | 120.2 (4) |
| O7i—Tb1—N3 | 66.11 (8) | O1—C1—C2 | 114.7 (3) |
| O3—Tb1—N3 | 73.80 (9) | O2—C1—K1 | 78.1 (3) |
| O1—Tb1—N3 | 129.94 (10) | O1—C1—K1 | 53.7 (2) |
| O8—Tb1—N3 | 122.04 (8) | C2—C1—K1 | 148.5 (3) |
| N2—Tb1—N3 | 69.62 (10) | N1—C2—C3 | 122.1 (4) |
| N4—Tb1—N3 | 136.35 (9) | N1—C2—C1 | 117.0 (3) |
| N1—Tb1—N3 | 122.56 (10) | C3—C2—C1 | 120.9 (4) |
| O5—Tb1—K1 | 147.78 (7) | C4—C3—C2 | 118.6 (4) |
| O7i—Tb1—K1 | 64.31 (7) | C4—C3—H3 | 120.7 |
| O3—Tb1—K1 | 45.40 (5) | C2—C3—H3 | 120.7 |
| O1—Tb1—K1 | 38.16 (8) | C5—C4—C3 | 118.4 (4) |
| O8—Tb1—K1 | 140.97 (6) | C5—C4—H4 | 120.8 |
| N2—Tb1—K1 | 111.00 (7) | C3—C4—H4 | 120.8 |
| N4—Tb1—K1 | 81.85 (6) | C6—C5—C4 | 119.2 (5) |
| N1—Tb1—K1 | 95.11 (7) | C6—C5—H5 | 120.4 |
| N3—Tb1—K1 | 95.42 (6) | C4—C5—H5 | 120.4 |
| O5—Tb1—K1ii | 30.97 (7) | N1—C6—C5 | 122.7 (4) |
| O7i—Tb1—K1ii | 108.39 (7) | N1—C6—H6 | 118.6 |
| O3—Tb1—K1ii | 147.55 (5) | C5—C6—H6 | 118.6 |
| O1—Tb1—K1ii | 131.21 (7) | O4—C7—O3 | 123.9 (3) |
| O8—Tb1—K1ii | 38.02 (6) | O4—C7—C8 | 118.6 (3) |
| N2—Tb1—K1ii | 81.83 (7) | O3—C7—C8 | 117.5 (3) |
| N4—Tb1—K1ii | 101.43 (6) | N2—C8—C9 | 122.7 (4) |
| N1—Tb1—K1ii | 71.99 (7) | N2—C8—C7 | 116.1 (3) |
| N3—Tb1—K1ii | 90.77 (6) | C9—C8—C7 | 121.3 (4) |
| K1—Tb1—K1ii | 167.044 (5) | C8—C9—C10 | 118.8 (4) |
| O3W—K1—O1 | 121.80 (14) | C8—C9—H9 | 120.6 |
| O3W—K1—O5i | 100.66 (15) | C10—C9—H9 | 120.6 |
| O1—K1—O5i | 132.75 (8) | C11—C10—C9 | 118.8 (4) |
| O3W—K1—O8i | 116.68 (14) | C11—C10—H10 | 120.6 |
| O1—K1—O8i | 85.12 (8) | C9—C10—H10 | 120.6 |
| O5i—K1—O8i | 55.72 (8) | C10—C11—C12 | 119.2 (4) |
| O3W—K1—O3 | 69.35 (11) | C10—C11—H11 | 120.4 |
| O1—K1—O3 | 63.49 (7) | C12—C11—H11 | 120.4 |
| O5i—K1—O3 | 122.62 (9) | N2—C12—C11 | 123.1 (4) |
| O8i—K1—O3 | 78.10 (8) | N2—C12—H12 | 118.5 |
| O3W—K1—O6i | 95.03 (12) | C11—C12—H12 | 118.5 |
| O1—K1—O6i | 136.98 (9) | O6—C13—O5 | 124.0 (5) |
| O5i—K1—O6i | 44.88 (8) | O6—C13—C14 | 120.4 (4) |
| O8i—K1—O6i | 98.24 (8) | O5—C13—C14 | 115.6 (3) |
| O3—K1—O6i | 159.29 (9) | O6—C13—K1ii | 68.7 (3) |
| O3W—K1—C13i | 101.29 (14) | O5—C13—K1ii | 56.9 (2) |
| O1—K1—C13i | 136.87 (9) | C14—C13—K1ii | 163.7 (3) |
| O5i—K1—C13i | 23.10 (9) | N3—C14—C15 | 121.7 (4) |
| O8i—K1—C13i | 76.45 (9) | N3—C14—C13 | 115.9 (4) |
| O3—K1—C13i | 144.73 (10) | C15—C14—C13 | 122.4 (4) |
| O6i—K1—C13i | 22.14 (9) | C14—C15—C16 | 120.2 (5) |
| O3W—K1—O2 | 150.45 (16) | C14—C15—H15 | 119.9 |
| O1—K1—O2 | 43.17 (8) | C16—C15—H15 | 119.9 |
| O5i—K1—O2 | 105.46 (9) | C17—C16—C15 | 117.7 (5) |
| O8i—K1—O2 | 89.76 (8) | C17—C16—H16 | 121.2 |
| O3—K1—O2 | 106.46 (8) | C15—C16—H16 | 121.2 |
| O6i—K1—O2 | 93.82 (9) | C18—C17—C16 | 120.6 (5) |
| C13i—K1—O2 | 97.47 (10) | C18—C17—H17 | 119.7 |
| O3W—K1—C1 | 142.75 (15) | C16—C17—H17 | 119.7 |
| O1—K1—C1 | 22.56 (8) | C17—C18—N3 | 122.7 (4) |
| O5i—K1—C1 | 116.01 (9) | C17—C18—H18 | 118.6 |
| O8i—K1—C1 | 81.64 (9) | N3—C18—H18 | 118.6 |
| O3—K1—C1 | 84.75 (9) | O7—C19—O8 | 124.3 (3) |
| O6i—K1—C1 | 115.13 (10) | O7—C19—C20 | 118.1 (3) |
| C13i—K1—C1 | 114.93 (10) | O8—C19—C20 | 117.6 (3) |
| O2—K1—C1 | 22.01 (9) | N4—C20—C21 | 124.4 (3) |
| O3W—K1—Tb1 | 102.90 (10) | N4—C20—C19 | 114.9 (3) |
| O1—K1—Tb1 | 33.33 (5) | C21—C20—C19 | 120.6 (3) |
| O5i—K1—Tb1 | 123.64 (6) | C20—C21—C22 | 118.3 (4) |
| O8i—K1—Tb1 | 67.93 (5) | C20—C21—H21 | 120.9 |
| O3—K1—Tb1 | 34.34 (5) | C22—C21—H21 | 120.9 |
| O6i—K1—Tb1 | 160.91 (7) | C23—C22—C21 | 119.2 (4) |
| C13i—K1—Tb1 | 143.12 (7) | C23—C22—H22 | 120.4 |
| O2—K1—Tb1 | 73.72 (6) | C21—C22—H22 | 120.4 |
| C1—K1—Tb1 | 51.71 (7) | C22—C23—C24 | 117.2 (4) |
| O3W—K1—Tb1i | 108.22 (14) | C22—C23—H23 | 121.4 |
| O1—K1—Tb1i | 112.36 (6) | C24—C23—H23 | 121.4 |
| O5i—K1—Tb1i | 26.14 (6) | N4—C24—C23 | 124.1 (4) |
| O8i—K1—Tb1i | 29.77 (5) | N4—C24—H24 | 118.0 |
| O3—K1—Tb1i | 100.94 (6) | C23—C24—H24 | 118.0 |
| O6i—K1—Tb1i | 70.27 (6) | K1—O3W—H3WA | 130.1 |
| C13i—K1—Tb1i | 48.14 (7) | K1—O3W—H3WB | 127.8 |
| O2—K1—Tb1i | 101.31 (7) | H3WA—O3W—H3WB | 101.2 |
| C1—K1—Tb1i | 102.51 (8) | H4WA—O4W—H4WB | 104.4 |
| Tb1—K1—Tb1i | 97.539 (19) | ||
| O5—Tb1—K1—O3W | −117.41 (19) | K1—Tb1—O8—C19 | −39.4 (3) |
| O7i—Tb1—K1—O3W | −133.39 (16) | K1ii—Tb1—O8—C19 | 161.4 (3) |
| O3—Tb1—K1—O3W | −12.35 (17) | O5—Tb1—O8—K1ii | −4.91 (9) |
| O1—Tb1—K1—O3W | 129.46 (18) | O7i—Tb1—O8—K1ii | 49.58 (15) |
| O8—Tb1—K1—O3W | 91.20 (17) | O3—Tb1—O8—K1ii | −135.11 (9) |
| N2—Tb1—K1—O3W | −2.97 (16) | O1—Tb1—O8—K1ii | 135.50 (9) |
| N4—Tb1—K1—O3W | 62.91 (16) | N2—Tb1—O8—K1ii | −94.16 (10) |
| N1—Tb1—K1—O3W | 163.36 (16) | N4—Tb1—O8—K1ii | −169.33 (13) |
| N3—Tb1—K1—O3W | −73.19 (15) | N1—Tb1—O8—K1ii | 80.00 (10) |
| K1ii—Tb1—K1—O3W | 168.59 (15) | N3—Tb1—O8—K1ii | −39.22 (13) |
| O5—Tb1—K1—O1 | 113.13 (17) | K1—Tb1—O8—K1ii | 159.19 (3) |
| O7i—Tb1—K1—O1 | 97.15 (12) | O5—Tb1—N1—C2 | −157.6 (3) |
| O3—Tb1—K1—O1 | −141.81 (14) | O7i—Tb1—N1—C2 | −69.6 (3) |
| O8—Tb1—K1—O1 | −38.26 (14) | O3—Tb1—N1—C2 | −5.0 (4) |
| N2—Tb1—K1—O1 | −132.43 (13) | O1—Tb1—N1—C2 | 12.8 (3) |
| N4—Tb1—K1—O1 | −66.55 (12) | O8—Tb1—N1—C2 | 131.9 (3) |
| N1—Tb1—K1—O1 | 33.90 (13) | N2—Tb1—N1—C2 | 143.5 (3) |
| N3—Tb1—K1—O1 | 157.35 (12) | N4—Tb1—N1—C2 | 72.9 (3) |
| K1ii—Tb1—K1—O1 | 39.13 (14) | N3—Tb1—N1—C2 | −109.5 (3) |
| O5—Tb1—K1—O5i | −5.0 (2) | K1—Tb1—N1—C2 | −9.8 (3) |
| O7i—Tb1—K1—O5i | −21.03 (9) | K1ii—Tb1—N1—C2 | 171.5 (3) |
| O3—Tb1—K1—O5i | 100.01 (12) | O5—Tb1—N1—C6 | 11.7 (3) |
| O1—Tb1—K1—O5i | −118.18 (13) | O7i—Tb1—N1—C6 | 99.7 (4) |
| O8—Tb1—K1—O5i | −156.44 (11) | O3—Tb1—N1—C6 | 164.4 (3) |
| N2—Tb1—K1—O5i | 109.39 (11) | O1—Tb1—N1—C6 | −177.9 (4) |
| N4—Tb1—K1—O5i | 175.27 (11) | O8—Tb1—N1—C6 | −58.8 (4) |
| N1—Tb1—K1—O5i | −84.28 (11) | N2—Tb1—N1—C6 | −47.2 (5) |
| N3—Tb1—K1—O5i | 39.17 (10) | N4—Tb1—N1—C6 | −117.8 (4) |
| K1ii—Tb1—K1—O5i | −79.04 (12) | N3—Tb1—N1—C6 | 59.8 (4) |
| O5—Tb1—K1—O8i | −3.57 (15) | K1—Tb1—N1—C6 | 159.6 (3) |
| O7i—Tb1—K1—O8i | −19.55 (8) | K1ii—Tb1—N1—C6 | −19.2 (3) |
| O3—Tb1—K1—O8i | 101.48 (11) | O5—Tb1—N2—C12 | −34.9 (3) |
| O1—Tb1—K1—O8i | −116.70 (11) | O7i—Tb1—N2—C12 | −111.6 (3) |
| O8—Tb1—K1—O8i | −154.96 (5) | O3—Tb1—N2—C12 | −178.4 (4) |
| N2—Tb1—K1—O8i | 110.87 (10) | O1—Tb1—N2—C12 | 136.4 (3) |
| N4—Tb1—K1—O8i | 176.75 (9) | O8—Tb1—N2—C12 | 34.6 (3) |
| N1—Tb1—K1—O8i | −82.81 (9) | N4—Tb1—N2—C12 | 101.4 (4) |
| N3—Tb1—K1—O8i | 40.64 (8) | N1—Tb1—N2—C12 | 23.0 (5) |
| K1ii—Tb1—K1—O8i | −77.57 (10) | N3—Tb1—N2—C12 | −97.7 (4) |
| O5—Tb1—K1—O3 | −105.06 (16) | K1—Tb1—N2—C12 | 174.3 (3) |
| O7i—Tb1—K1—O3 | −121.03 (11) | K1ii—Tb1—N2—C12 | −3.8 (3) |
| O1—Tb1—K1—O3 | 141.81 (14) | O5—Tb1—N2—C8 | 146.8 (3) |
| O8—Tb1—K1—O3 | 103.56 (13) | O7i—Tb1—N2—C8 | 70.0 (3) |
| N2—Tb1—K1—O3 | 9.39 (12) | O3—Tb1—N2—C8 | 3.2 (3) |
| N4—Tb1—K1—O3 | 75.26 (12) | O1—Tb1—N2—C8 | −42.0 (3) |
| N1—Tb1—K1—O3 | 175.71 (12) | O8—Tb1—N2—C8 | −143.8 (3) |
| N3—Tb1—K1—O3 | −60.84 (11) | N4—Tb1—N2—C8 | −77.0 (3) |
| O5—Tb1—K1—O6i | 42.1 (3) | N1—Tb1—N2—C8 | −155.3 (3) |
| O7i—Tb1—K1—O6i | 26.1 (2) | N3—Tb1—N2—C8 | 84.0 (3) |
| O3—Tb1—K1—O6i | 147.2 (2) | K1—Tb1—N2—C8 | −4.1 (3) |
| O1—Tb1—K1—O6i | −71.0 (2) | K1ii—Tb1—N2—C8 | 177.8 (3) |
| O8—Tb1—K1—O6i | −109.3 (2) | O5—Tb1—N3—C18 | 171.9 (3) |
| N2—Tb1—K1—O6i | 156.6 (2) | O7i—Tb1—N3—C18 | 75.5 (3) |
| N4—Tb1—K1—O6i | −137.6 (2) | O3—Tb1—N3—C18 | −23.6 (3) |
| N1—Tb1—K1—O6i | −37.1 (2) | O1—Tb1—N3—C18 | 34.8 (3) |
| N3—Tb1—K1—O6i | 86.3 (2) | O8—Tb1—N3—C18 | −151.8 (3) |
| K1ii—Tb1—K1—O6i | −31.9 (3) | N2—Tb1—N3—C18 | −93.7 (3) |
| O5—Tb1—K1—C13i | 12.37 (19) | N4—Tb1—N3—C18 | −67.2 (3) |
| O7i—Tb1—K1—C13i | −3.61 (14) | N1—Tb1—N3—C18 | 116.3 (3) |
| O3—Tb1—K1—C13i | 117.43 (16) | K1—Tb1—N3—C18 | 16.7 (3) |
| O1—Tb1—K1—C13i | −100.76 (17) | K1ii—Tb1—N3—C18 | −174.7 (3) |
| O8—Tb1—K1—C13i | −139.01 (15) | O5—Tb1—N3—C14 | 1.4 (2) |
| N2—Tb1—K1—C13i | 126.81 (15) | O7i—Tb1—N3—C14 | −95.1 (2) |
| N4—Tb1—K1—C13i | −167.31 (15) | O3—Tb1—N3—C14 | 165.8 (2) |
| N1—Tb1—K1—C13i | −66.86 (15) | O1—Tb1—N3—C14 | −135.8 (2) |
| N3—Tb1—K1—C13i | 56.59 (14) | O8—Tb1—N3—C14 | 37.7 (3) |
| K1ii—Tb1—K1—C13i | −61.62 (17) | N2—Tb1—N3—C14 | 95.7 (2) |
| O5—Tb1—K1—O2 | 92.95 (15) | N4—Tb1—N3—C14 | 122.3 (2) |
| O7i—Tb1—K1—O2 | 76.97 (9) | N1—Tb1—N3—C14 | −54.3 (3) |
| O3—Tb1—K1—O2 | −161.99 (12) | K1—Tb1—N3—C14 | −153.9 (2) |
| O1—Tb1—K1—O2 | −20.18 (13) | K1ii—Tb1—N3—C14 | 14.7 (2) |
| O8—Tb1—K1—O2 | −58.43 (11) | O5—Tb1—N4—C24 | 166.3 (3) |
| N2—Tb1—K1—O2 | −152.61 (11) | O7i—Tb1—N4—C24 | −38.5 (4) |
| N4—Tb1—K1—O2 | −86.73 (10) | O3—Tb1—N4—C24 | 31.9 (3) |
| N1—Tb1—K1—O2 | 13.72 (11) | O1—Tb1—N4—C24 | −51.2 (3) |
| N3—Tb1—K1—O2 | 137.17 (9) | O8—Tb1—N4—C24 | −174.5 (4) |
| K1ii—Tb1—K1—O2 | 18.96 (12) | N2—Tb1—N4—C24 | 101.7 (3) |
| O5—Tb1—K1—C1 | 93.33 (16) | N1—Tb1—N4—C24 | −107.5 (3) |
| O7i—Tb1—K1—C1 | 77.35 (12) | N3—Tb1—N4—C24 | 75.4 (3) |
| O3—Tb1—K1—C1 | −161.61 (13) | K1—Tb1—N4—C24 | −13.9 (3) |
| O1—Tb1—K1—C1 | −19.80 (14) | K1ii—Tb1—N4—C24 | 178.8 (3) |
| O8—Tb1—K1—C1 | −58.05 (13) | O5—Tb1—N4—C20 | −12.3 (3) |
| N2—Tb1—K1—C1 | −152.23 (13) | O7i—Tb1—N4—C20 | 142.9 (2) |
| N4—Tb1—K1—C1 | −86.35 (12) | O3—Tb1—N4—C20 | −146.7 (3) |
| N1—Tb1—K1—C1 | 14.10 (12) | O1—Tb1—N4—C20 | 130.2 (3) |
| N3—Tb1—K1—C1 | 137.55 (11) | O8—Tb1—N4—C20 | 6.9 (2) |
| K1ii—Tb1—K1—C1 | 19.34 (13) | N2—Tb1—N4—C20 | −76.9 (3) |
| O5—Tb1—K1—Tb1i | −6.69 (14) | N1—Tb1—N4—C20 | 73.8 (3) |
| O7i—Tb1—K1—Tb1i | −22.67 (6) | N3—Tb1—N4—C20 | −103.2 (3) |
| O3—Tb1—K1—Tb1i | 98.37 (9) | K1—Tb1—N4—C20 | 167.5 (3) |
| O1—Tb1—K1—Tb1i | −119.82 (10) | K1ii—Tb1—N4—C20 | 0.2 (3) |
| O8—Tb1—K1—Tb1i | −158.07 (9) | K1—O2—C1—O1 | 27.6 (4) |
| N2—Tb1—K1—Tb1i | 107.75 (8) | K1—O2—C1—C2 | −152.4 (4) |
| N4—Tb1—K1—Tb1i | 173.63 (7) | Tb1—O1—C1—O2 | −159.8 (4) |
| N1—Tb1—K1—Tb1i | −85.92 (8) | K1—O1—C1—O2 | −34.2 (5) |
| N3—Tb1—K1—Tb1i | 37.53 (6) | Tb1—O1—C1—C2 | 20.2 (5) |
| K1ii—Tb1—K1—Tb1i | −80.68 (9) | K1—O1—C1—C2 | 145.8 (3) |
| O5—Tb1—O1—C1 | −2.5 (4) | Tb1—O1—C1—K1 | −125.6 (3) |
| O7i—Tb1—O1—C1 | 55.4 (3) | O3W—K1—C1—O2 | 125.6 (3) |
| O3—Tb1—O1—C1 | 150.4 (4) | O1—K1—C1—O2 | 152.0 (4) |
| O8—Tb1—O1—C1 | −80.5 (4) | O5i—K1—C1—O2 | −65.4 (3) |
| N2—Tb1—O1—C1 | −168.0 (3) | O8i—K1—C1—O2 | −110.6 (3) |
| N4—Tb1—O1—C1 | −132.6 (4) | O3—K1—C1—O2 | 170.7 (3) |
| N1—Tb1—O1—C1 | −18.1 (3) | O6i—K1—C1—O2 | −15.4 (3) |
| N3—Tb1—O1—C1 | 93.6 (4) | C13i—K1—C1—O2 | −39.8 (3) |
| K1—Tb1—O1—C1 | 123.6 (4) | Tb1—K1—C1—O2 | −179.0 (3) |
| K1ii—Tb1—O1—C1 | −45.5 (4) | Tb1i—K1—C1—O2 | −89.3 (3) |
| O5—Tb1—O1—K1 | −126.14 (15) | O3W—K1—C1—O1 | −26.4 (4) |
| O7i—Tb1—O1—K1 | −68.28 (10) | O5i—K1—C1—O1 | 142.6 (2) |
| O3—Tb1—O1—K1 | 26.73 (9) | O8i—K1—C1—O1 | 97.4 (2) |
| O8—Tb1—O1—K1 | 155.83 (9) | O3—K1—C1—O1 | 18.7 (2) |
| N2—Tb1—O1—K1 | 68.33 (16) | O6i—K1—C1—O1 | −167.3 (2) |
| N4—Tb1—O1—K1 | 103.74 (12) | C13i—K1—C1—O1 | 168.2 (2) |
| N1—Tb1—O1—K1 | −141.77 (14) | O2—K1—C1—O1 | −152.0 (4) |
| N3—Tb1—O1—K1 | −30.01 (15) | Tb1—K1—C1—O1 | 29.0 (2) |
| K1ii—Tb1—O1—K1 | −169.16 (4) | Tb1i—K1—C1—O1 | 118.8 (2) |
| O3W—K1—O1—C1 | 161.6 (3) | O3W—K1—C1—C2 | −104.4 (5) |
| O5i—K1—O1—C1 | −48.0 (3) | O1—K1—C1—C2 | −78.0 (5) |
| O8i—K1—O1—C1 | −79.9 (2) | O5i—K1—C1—C2 | 64.6 (5) |
| O3—K1—O1—C1 | −159.1 (3) | O8i—K1—C1—C2 | 19.4 (5) |
| O6i—K1—O1—C1 | 16.9 (3) | O3—K1—C1—C2 | −59.3 (5) |
| C13i—K1—O1—C1 | −15.7 (3) | O6i—K1—C1—C2 | 114.6 (5) |
| O2—K1—O1—C1 | 14.9 (2) | C13i—K1—C1—C2 | 90.2 (5) |
| Tb1—K1—O1—C1 | −136.1 (3) | O2—K1—C1—C2 | 130.0 (6) |
| Tb1i—K1—O1—C1 | −67.7 (3) | Tb1—K1—C1—C2 | −49.0 (4) |
| O3W—K1—O1—Tb1 | −62.31 (18) | Tb1i—K1—C1—C2 | 40.8 (5) |
| O5i—K1—O1—Tb1 | 88.12 (13) | C6—N1—C2—C3 | 0.6 (7) |
| O8i—K1—O1—Tb1 | 56.19 (10) | Tb1—N1—C2—C3 | 170.7 (4) |
| O3—K1—O1—Tb1 | −22.93 (8) | C6—N1—C2—C1 | −179.1 (4) |
| O6i—K1—O1—Tb1 | 153.05 (10) | Tb1—N1—C2—C1 | −9.1 (5) |
| C13i—K1—O1—Tb1 | 120.40 (13) | O2—C1—C2—N1 | 174.9 (4) |
| O2—K1—O1—Tb1 | 151.06 (18) | O1—C1—C2—N1 | −5.1 (6) |
| C1—K1—O1—Tb1 | 136.1 (3) | K1—C1—C2—N1 | 55.1 (7) |
| Tb1i—K1—O1—Tb1 | 68.45 (10) | O2—C1—C2—C3 | −4.9 (7) |
| O3W—K1—O2—C1 | −86.7 (3) | O1—C1—C2—C3 | 175.1 (4) |
| O1—K1—O2—C1 | −15.3 (2) | K1—C1—C2—C3 | −124.7 (5) |
| O5i—K1—O2—C1 | 122.0 (3) | N1—C2—C3—C4 | 0.6 (7) |
| O8i—K1—O2—C1 | 67.8 (3) | C1—C2—C3—C4 | −179.6 (5) |
| O3—K1—O2—C1 | −9.7 (3) | C2—C3—C4—C5 | −1.2 (8) |
| O6i—K1—O2—C1 | 166.1 (3) | C3—C4—C5—C6 | 0.5 (8) |
| C13i—K1—O2—C1 | 144.1 (3) | C2—N1—C6—C5 | −1.4 (7) |
| Tb1—K1—O2—C1 | 0.8 (3) | Tb1—N1—C6—C5 | −170.3 (4) |
| Tb1i—K1—O2—C1 | 95.4 (3) | C4—C5—C6—N1 | 0.8 (8) |
| O5—Tb1—O3—C7 | −57.5 (3) | Tb1—O3—C7—O4 | −178.5 (3) |
| O7i—Tb1—O3—C7 | −141.4 (3) | K1—O3—C7—O4 | −14.8 (6) |
| O1—Tb1—O3—C7 | 145.1 (3) | Tb1—O3—C7—C8 | 1.3 (5) |
| O8—Tb1—O3—C7 | 41.8 (3) | K1—O3—C7—C8 | 165.0 (3) |
| N2—Tb1—O3—C7 | −2.3 (3) | C12—N2—C8—C9 | −3.4 (7) |
| N4—Tb1—O3—C7 | 73.5 (3) | Tb1—N2—C8—C9 | 175.2 (4) |
| N1—Tb1—O3—C7 | 161.4 (3) | C12—N2—C8—C7 | 177.6 (4) |
| N3—Tb1—O3—C7 | −76.8 (3) | Tb1—N2—C8—C7 | −3.9 (5) |
| K1—Tb1—O3—C7 | 168.1 (3) | O4—C7—C8—N2 | −178.2 (4) |
| K1ii—Tb1—O3—C7 | −12.3 (4) | O3—C7—C8—N2 | 2.0 (6) |
| O5—Tb1—O3—K1 | 134.46 (10) | O4—C7—C8—C9 | 2.7 (7) |
| O7i—Tb1—O3—K1 | 50.57 (9) | O3—C7—C8—C9 | −177.0 (4) |
| O1—Tb1—O3—K1 | −22.98 (9) | N2—C8—C9—C10 | 3.3 (8) |
| O8—Tb1—O3—K1 | −126.28 (9) | C7—C8—C9—C10 | −177.7 (5) |
| N2—Tb1—O3—K1 | −170.42 (12) | C8—C9—C10—C11 | −1.1 (8) |
| N4—Tb1—O3—K1 | −94.53 (9) | C9—C10—C11—C12 | −0.7 (8) |
| N1—Tb1—O3—K1 | −6.70 (19) | C8—N2—C12—C11 | 1.4 (7) |
| N3—Tb1—O3—K1 | 115.13 (10) | Tb1—N2—C12—C11 | −177.0 (3) |
| K1ii—Tb1—O3—K1 | 179.60 (5) | C10—C11—C12—N2 | 0.6 (8) |
| O3W—K1—O3—C7 | 0.7 (4) | K1ii—O6—C13—O5 | −14.1 (4) |
| O1—K1—O3—C7 | −144.1 (4) | K1ii—O6—C13—C14 | 165.0 (3) |
| O5i—K1—O3—C7 | 90.3 (4) | Tb1—O5—C13—O6 | 169.0 (3) |
| O8i—K1—O3—C7 | 125.4 (4) | K1ii—O5—C13—O6 | 15.7 (4) |
| O6i—K1—O3—C7 | 43.6 (5) | Tb1—O5—C13—C14 | −10.1 (5) |
| C13i—K1—O3—C7 | 80.9 (4) | K1ii—O5—C13—C14 | −163.4 (3) |
| O2—K1—O3—C7 | −148.4 (4) | Tb1—O5—C13—K1ii | 153.3 (3) |
| C1—K1—O3—C7 | −152.0 (4) | C18—N3—C14—C15 | 0.0 (5) |
| Tb1—K1—O3—C7 | −166.4 (4) | Tb1—N3—C14—C15 | 171.7 (3) |
| Tb1i—K1—O3—C7 | 106.2 (4) | C18—N3—C14—C13 | −177.8 (3) |
| O3W—K1—O3—Tb1 | 167.12 (17) | Tb1—N3—C14—C13 | −6.0 (4) |
| O1—K1—O3—Tb1 | 22.31 (8) | O6—C13—C14—N3 | −169.3 (4) |
| O5i—K1—O3—Tb1 | −103.24 (11) | O5—C13—C14—N3 | 9.9 (5) |
| O8i—K1—O3—Tb1 | −68.14 (8) | K1ii—C13—C14—N3 | −48.9 (10) |
| O6i—K1—O3—Tb1 | −149.9 (2) | O6—C13—C14—C15 | 13.0 (6) |
| C13i—K1—O3—Tb1 | −112.70 (15) | O5—C13—C14—C15 | −167.9 (4) |
| O2—K1—O3—Tb1 | 18.03 (11) | K1ii—C13—C14—C15 | 133.4 (8) |
| C1—K1—O3—Tb1 | 14.40 (11) | N3—C14—C15—C16 | −1.0 (6) |
| Tb1i—K1—O3—Tb1 | −87.37 (8) | C13—C14—C15—C16 | 176.6 (4) |
| O7i—Tb1—O5—C13 | 70.9 (3) | C14—C15—C16—C17 | 0.9 (7) |
| O3—Tb1—O5—C13 | −15.9 (4) | C15—C16—C17—C18 | 0.2 (7) |
| O1—Tb1—O5—C13 | 125.9 (3) | C16—C17—C18—N3 | −1.3 (7) |
| O8—Tb1—O5—C13 | −142.4 (3) | C14—N3—C18—C17 | 1.2 (5) |
| N2—Tb1—O5—C13 | −64.8 (3) | Tb1—N3—C18—C17 | −169.1 (3) |
| N4—Tb1—O5—C13 | −123.9 (3) | Tb1ii—O7—C19—O8 | −49.3 (6) |
| N1—Tb1—O5—C13 | 140.1 (3) | Tb1ii—O7—C19—C20 | 132.6 (4) |
| N3—Tb1—O5—C13 | 5.1 (3) | Tb1—O8—C19—O7 | −170.3 (2) |
| K1—Tb1—O5—C13 | 56.5 (4) | K1ii—O8—C19—O7 | −9.9 (4) |
| K1ii—Tb1—O5—C13 | −148.2 (4) | Tb1—O8—C19—C20 | 7.8 (4) |
| O7i—Tb1—O5—K1ii | −140.81 (13) | K1ii—O8—C19—C20 | 168.2 (2) |
| O3—Tb1—O5—K1ii | 132.34 (12) | C24—N4—C20—C21 | −0.7 (6) |
| O1—Tb1—O5—K1ii | −85.86 (18) | Tb1—N4—C20—C21 | 178.0 (3) |
| O8—Tb1—O5—K1ii | 5.88 (10) | C24—N4—C20—C19 | 175.1 (3) |
| N2—Tb1—O5—K1ii | 83.41 (13) | Tb1—N4—C20—C19 | −6.2 (4) |
| N4—Tb1—O5—K1ii | 24.35 (19) | O7—C19—C20—N4 | 178.1 (3) |
| N1—Tb1—O5—K1ii | −71.65 (13) | O8—C19—C20—N4 | −0.1 (5) |
| N3—Tb1—O5—K1ii | 153.31 (15) | O7—C19—C20—C21 | −5.9 (5) |
| K1—Tb1—O5—K1ii | −155.24 (5) | O8—C19—C20—C21 | 175.9 (3) |
| O5—Tb1—O8—C19 | 156.5 (3) | N4—C20—C21—C22 | 0.2 (6) |
| O7i—Tb1—O8—C19 | −149.0 (2) | C19—C20—C21—C22 | −175.4 (4) |
| O3—Tb1—O8—C19 | 26.3 (3) | C20—C21—C22—C23 | −0.1 (7) |
| O1—Tb1—O8—C19 | −63.1 (3) | C21—C22—C23—C24 | 0.6 (7) |
| N2—Tb1—O8—C19 | 67.3 (3) | C20—N4—C24—C23 | 1.3 (6) |
| N4—Tb1—O8—C19 | −7.9 (2) | Tb1—N4—C24—C23 | −177.3 (3) |
| N1—Tb1—O8—C19 | −118.6 (3) | C22—C23—C24—N4 | −1.2 (7) |
| N3—Tb1—O8—C19 | 122.2 (3) |
| H··· | ||||
| O1W—H1W···O4 | 0.84 | 2.09 | 2.858 (4) | 151.9 |
| O2W—H2W···O6ii | 0.85 | 2.48 | 3.219 (5) | 146.2 |
| O3W—H3WA···O6iii | 0.86 | 2.09 | 2.647 (5) | 121.4 |
| O4W—H4WB···O2iv | 0.86 | 1.92 | 2.711 (6) | 151.9 |
| O5W—H5W···O4W | 0.85 | 2.34 | 3.080 (13) | 144.9 |
Selected bond lengths (Å)
| Tb1—O1 | 2.380 (2) |
| Tb1—O3 | 2.354 (2) |
| Tb1—O5 | 2.333 (2) |
| Tb1—O7i | 2.352 (3) |
| Tb1—O8 | 2.385 (3) |
| Tb1—N1 | 2.640 (3) |
| Tb1—N2 | 2.575 (3) |
| Tb1—N3 | 2.736 (4) |
| Tb1—N4 | 2.626 (3) |
| K1—O1 | 2.676 (3) |
| K1—O2 | 3.208 (4) |
| K1—O3 | 2.972 (2) |
| K1—O5i | 2.725 (3) |
| K1—O6i | 2.985 (4) |
| K1—O8i | 2.959 (2) |
| K1—O3 | 2.661 (5) |
Symmetry code: (i) .
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O1 | 0.84 | 2.09 | 2.858 (4) | 152 |
| O2 | 0.85 | 2.48 | 3.219 (5) | 146 |
| O3 | 0.86 | 2.09 | 2.647 (5) | 121 |
| O4 | 0.86 | 1.92 | 2.711 (6) | 152 |
| O5 | 0.85 | 2.34 | 3.080 (13) | 145 |
Symmetry codes: (ii) ; (iii) ; (iv) .