| Literature DB >> 21202459 |
Zhi-Hui Qiu, Fu-Pei Liang, Qing-Feng Ruan, Zi-Lu Chen.
Abstract
In the title compound, [Gd(C(8)H(6)NO(2))(3)](n), the Gd(III) ion is in a bicapped trigonal prismatic coordination environment formed by seven O atoms and one N atom, derived from seven different 3-(3-pyrid-yl)acrylate (3-PYA) ligands. Gd(III) ions are bridged by bidentate and tridentate 3-PYA ligands, resulting in a two-dimensional structure.Entities:
Year: 2008 PMID: 21202459 PMCID: PMC2961497 DOI: 10.1107/S1600536808012270
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Gd(C8H6NO2)3] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 5417 reflections |
| θ = 2.7–26.5º | |
| µ = 2.99 mm−1 | |
| β = 95.684 (3)º | Block, colourless |
| 0.24 × 0.20 × 0.18 mm | |
| Bruker SMART CCD diffractometer | 4654 independent reflections |
| Radiation source: fine-focus sealed tube | 3517 reflections with |
| Monochromator: graphite | |
| θmax = 26.6º | |
| φ and ω scans | θmin = 1.6º |
| Absorption correction: multi-scan(SADABS; Bruker, 1998) | |
| 12572 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H-atom parameters constrained | |
| | |
| (Δ/σ)max = 0.001 | |
| 4654 reflections | Δρmax = 2.06 e Å−3 |
| 307 parameters | Δρmin = −1.16 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 |
| Gd1 | 0.75345 (2) | 0.501980 (8) | 0.574129 (16) | 0.01502 (9) | |
| O1 | 0.9665 (4) | 0.52846 (14) | 0.7208 (3) | 0.0273 (7) | |
| O2 | 1.1908 (5) | 0.52067 (14) | 0.6134 (3) | 0.0311 (8) | |
| O3 | 0.8511 (4) | 0.58040 (13) | 0.4964 (3) | 0.0306 (8) | |
| O4 | 1.0842 (4) | 0.57303 (13) | 0.3946 (3) | 0.0302 (8) | |
| O5 | 0.6072 (4) | 0.57155 (13) | 0.6716 (3) | 0.0262 (7) | |
| O6 | 0.4848 (4) | 0.55290 (13) | 0.4935 (2) | 0.0236 (7) | |
| N1 | 1.3676 (5) | 0.53963 (15) | 1.2405 (3) | 0.0240 (9) | |
| C5 | 0.5075 (6) | 0.58425 (18) | 0.5821 (4) | 0.0219 (10) | |
| C6 | 0.9606 (6) | 0.59796 (18) | 0.4321 (4) | 0.0236 (10) | |
| C7 | 1.2073 (6) | 0.5432 (2) | 0.9203 (4) | 0.0275 (11) | |
| H7 | 1.0910 | 0.5364 | 0.9292 | 0.033* | |
| C9 | 0.3667 (7) | 0.72221 (19) | 0.6627 (4) | 0.0298 (11) | |
| C10 | 0.8451 (7) | 0.6892 (2) | 0.4348 (4) | 0.0330 (12) | |
| H10 | 0.7659 | 0.6781 | 0.4857 | 0.040* | |
| C11 | 0.4341 (7) | 0.6688 (2) | 0.6617 (4) | 0.0314 (12) | |
| H11 | 0.4939 | 0.6570 | 0.7312 | 0.038* | |
| C12 | 1.2511 (6) | 0.54388 (19) | 0.8113 (4) | 0.0245 (10) | |
| H12 | 1.3640 | 0.5534 | 0.7986 | 0.029* | |
| C13 | 1.3224 (6) | 0.55200 (19) | 1.0284 (4) | 0.0248 (10) | |
| C14 | 0.7726 (8) | 0.7816 (2) | 0.4738 (6) | 0.0453 (15) | |
| H14 | 0.7220 | 0.7695 | 0.5390 | 0.054* | |
| C15 | 1.5195 (6) | 0.5655 (2) | 1.2392 (4) | 0.0288 (11) | |
| H15 | 1.5874 | 0.5703 | 1.3101 | 0.035* | |
| N2 | 0.3364 (7) | 0.80038 (19) | 0.7784 (4) | 0.0468 (13) | |
| C17 | 0.9503 (7) | 0.6539 (2) | 0.3963 (5) | 0.0347 (13) | |
| H17 | 1.0246 | 0.6649 | 0.3420 | 0.042* | |
| C18 | 0.4192 (6) | 0.6355 (2) | 0.5732 (4) | 0.0290 (11) | |
| H18 | 0.3521 | 0.6444 | 0.5041 | 0.035* | |
| C20 | 0.2839 (7) | 0.7472 (2) | 0.5650 (4) | 0.0370 (13) | |
| H20 | 0.2652 | 0.7298 | 0.4937 | 0.044* | |
| C21 | 0.8437 (7) | 0.7449 (2) | 0.4033 (5) | 0.0332 (12) | |
| C22 | 0.2294 (8) | 0.7983 (2) | 0.5747 (5) | 0.0447 (15) | |
| H22 | 0.1733 | 0.8155 | 0.5102 | 0.054* | |
| C23 | 1.4821 (6) | 0.5782 (2) | 1.0315 (4) | 0.0309 (12) | |
| H23 | 1.5217 | 0.5907 | 0.9627 | 0.037* | |
| N3 | 0.7710 (7) | 0.8333 (2) | 0.4554 (5) | 0.0582 (15) | |
| C25 | 0.3879 (8) | 0.7510 (2) | 0.7660 (5) | 0.0425 (14) | |
| H25 | 0.4425 | 0.7345 | 0.8321 | 0.051* | |
| C26 | 0.8422 (8) | 0.8500 (2) | 0.3614 (6) | 0.0539 (17) | |
| H26 | 0.8422 | 0.8856 | 0.3465 | 0.065* | |
| C27 | 1.5802 (6) | 0.5853 (2) | 1.1382 (4) | 0.0326 (12) | |
| H27 | 1.6855 | 0.6031 | 1.1421 | 0.039* | |
| C28 | 0.9162 (8) | 0.7645 (2) | 0.3054 (5) | 0.0429 (14) | |
| H28 | 0.9645 | 0.7418 | 0.2542 | 0.052* | |
| C29 | 0.9163 (9) | 0.8174 (2) | 0.2846 (6) | 0.0515 (16) | |
| H29 | 0.9653 | 0.8308 | 0.2200 | 0.062* | |
| C30 | 0.2599 (8) | 0.8233 (2) | 0.6821 (5) | 0.0441 (15) | |
| H30 | 0.2253 | 0.8578 | 0.6873 | 0.053* | |
| C33 | 1.1260 (6) | 0.52998 (18) | 0.7078 (4) | 0.0203 (9) | |
| C34 | 1.2735 (6) | 0.53395 (19) | 1.1353 (4) | 0.0272 (11) | |
| H34 | 1.1676 | 0.5166 | 1.1340 | 0.033* |
| Gd1 | 0.01666 (12) | 0.01601 (13) | 0.01255 (12) | −0.00038 (9) | 0.00230 (8) | −0.00069 (9) |
| O1 | 0.0229 (17) | 0.036 (2) | 0.0223 (17) | −0.0025 (15) | −0.0008 (14) | −0.0003 (14) |
| O2 | 0.038 (2) | 0.036 (2) | 0.0197 (17) | −0.0029 (16) | 0.0062 (15) | −0.0066 (15) |
| O3 | 0.0317 (19) | 0.0241 (19) | 0.038 (2) | −0.0019 (15) | 0.0136 (16) | 0.0060 (15) |
| O4 | 0.0315 (19) | 0.0218 (18) | 0.038 (2) | 0.0080 (15) | 0.0080 (16) | 0.0036 (15) |
| O5 | 0.0279 (18) | 0.0274 (19) | 0.0230 (17) | 0.0059 (14) | 0.0011 (14) | −0.0011 (14) |
| O6 | 0.0245 (17) | 0.0224 (17) | 0.0241 (17) | −0.0025 (13) | 0.0027 (14) | −0.0061 (13) |
| N1 | 0.026 (2) | 0.024 (2) | 0.021 (2) | −0.0016 (17) | −0.0005 (16) | 0.0013 (16) |
| C5 | 0.022 (2) | 0.021 (2) | 0.022 (2) | −0.0032 (19) | 0.0024 (19) | 0.0027 (19) |
| C6 | 0.028 (3) | 0.019 (2) | 0.023 (2) | −0.0021 (19) | 0.000 (2) | 0.0005 (18) |
| C7 | 0.026 (2) | 0.036 (3) | 0.020 (2) | −0.011 (2) | −0.0020 (19) | −0.001 (2) |
| C9 | 0.035 (3) | 0.027 (3) | 0.028 (3) | 0.003 (2) | 0.005 (2) | −0.007 (2) |
| C10 | 0.036 (3) | 0.027 (3) | 0.037 (3) | 0.003 (2) | 0.009 (2) | 0.004 (2) |
| C11 | 0.037 (3) | 0.031 (3) | 0.025 (3) | 0.007 (2) | 0.001 (2) | 0.000 (2) |
| C12 | 0.023 (2) | 0.032 (3) | 0.019 (2) | −0.007 (2) | 0.0044 (19) | −0.0048 (19) |
| C13 | 0.029 (3) | 0.026 (3) | 0.020 (2) | −0.005 (2) | 0.003 (2) | −0.0030 (19) |
| C14 | 0.047 (4) | 0.036 (3) | 0.054 (4) | 0.012 (3) | 0.008 (3) | 0.004 (3) |
| C15 | 0.030 (3) | 0.032 (3) | 0.023 (3) | 0.000 (2) | −0.004 (2) | 0.003 (2) |
| N2 | 0.064 (3) | 0.033 (3) | 0.043 (3) | 0.007 (2) | 0.003 (3) | −0.012 (2) |
| C17 | 0.033 (3) | 0.029 (3) | 0.046 (3) | 0.007 (2) | 0.017 (2) | 0.013 (2) |
| C18 | 0.030 (3) | 0.027 (3) | 0.029 (3) | 0.003 (2) | 0.000 (2) | −0.004 (2) |
| C20 | 0.048 (3) | 0.029 (3) | 0.033 (3) | 0.004 (2) | −0.001 (3) | −0.003 (2) |
| C21 | 0.037 (3) | 0.026 (3) | 0.036 (3) | 0.006 (2) | 0.003 (2) | 0.004 (2) |
| C22 | 0.059 (4) | 0.026 (3) | 0.048 (4) | 0.007 (3) | 0.002 (3) | 0.004 (3) |
| C23 | 0.032 (3) | 0.038 (3) | 0.024 (2) | −0.011 (2) | 0.004 (2) | 0.003 (2) |
| N3 | 0.068 (4) | 0.026 (3) | 0.081 (4) | 0.013 (3) | 0.009 (3) | −0.004 (3) |
| C25 | 0.053 (4) | 0.036 (3) | 0.036 (3) | 0.013 (3) | −0.004 (3) | −0.005 (2) |
| C26 | 0.059 (4) | 0.024 (3) | 0.075 (5) | 0.007 (3) | −0.014 (4) | 0.008 (3) |
| C27 | 0.028 (3) | 0.040 (3) | 0.030 (3) | −0.011 (2) | 0.000 (2) | 0.003 (2) |
| C28 | 0.057 (4) | 0.032 (3) | 0.041 (3) | 0.008 (3) | 0.013 (3) | 0.006 (2) |
| C29 | 0.065 (4) | 0.033 (3) | 0.057 (4) | 0.005 (3) | 0.008 (3) | 0.016 (3) |
| C30 | 0.052 (4) | 0.023 (3) | 0.059 (4) | 0.004 (3) | 0.013 (3) | 0.000 (3) |
| C33 | 0.024 (2) | 0.021 (2) | 0.016 (2) | −0.0032 (19) | 0.0031 (18) | −0.0010 (17) |
| C34 | 0.028 (3) | 0.030 (3) | 0.023 (2) | −0.011 (2) | 0.000 (2) | −0.002 (2) |
| Gd1—O4i | 2.305 (3) | C11—C18 | 1.321 (6) |
| Gd1—O2i | 2.305 (3) | C11—H11 | 0.9300 |
| Gd1—O1 | 2.332 (3) | C12—C33 | 1.495 (6) |
| Gd1—O3 | 2.353 (3) | C12—H12 | 0.9300 |
| Gd1—O6ii | 2.383 (3) | C13—C34 | 1.394 (6) |
| Gd1—O5 | 2.440 (3) | C13—C23 | 1.401 (6) |
| Gd1—O6 | 2.546 (3) | C14—N3 | 1.343 (8) |
| Gd1—N1iii | 2.628 (4) | C14—C21 | 1.389 (8) |
| Gd1—C5 | 2.846 (5) | C14—H14 | 0.9300 |
| O1—C33 | 1.255 (5) | C15—C27 | 1.385 (7) |
| O2—C33 | 1.257 (5) | C15—H15 | 0.9300 |
| O2—Gd1i | 2.305 (3) | N2—C30 | 1.333 (7) |
| O3—C6 | 1.258 (5) | N2—C25 | 1.340 (7) |
| O4—C6 | 1.259 (6) | C17—H17 | 0.9300 |
| O4—Gd1i | 2.305 (3) | C18—H18 | 0.9300 |
| O5—C5 | 1.262 (5) | C20—C22 | 1.383 (8) |
| O6—C5 | 1.293 (5) | C20—H20 | 0.9300 |
| O6—Gd1ii | 2.383 (3) | C21—C28 | 1.395 (7) |
| N1—C15 | 1.348 (6) | C22—C30 | 1.386 (8) |
| N1—C34 | 1.351 (6) | C22—H22 | 0.9300 |
| N1—Gd1iii | 2.628 (4) | C23—C27 | 1.383 (7) |
| C5—C18 | 1.479 (7) | C23—H23 | 0.9300 |
| C6—C17 | 1.492 (7) | N3—C26 | 1.326 (8) |
| C7—C12 | 1.325 (6) | C25—H25 | 0.9300 |
| C7—C13 | 1.468 (6) | C26—C29 | 1.378 (9) |
| C7—H7 | 0.9300 | C26—H26 | 0.9300 |
| C9—C20 | 1.388 (7) | C27—H27 | 0.9300 |
| C9—C25 | 1.389 (7) | C28—C29 | 1.377 (8) |
| C9—C11 | 1.466 (7) | C28—H28 | 0.9300 |
| C10—C17 | 1.321 (7) | C29—H29 | 0.9300 |
| C10—C21 | 1.472 (7) | C30—H30 | 0.9300 |
| C10—H10 | 0.9300 | C34—H34 | 0.9300 |
| O4i—Gd1—O2i | 77.61 (12) | C17—C10—C21 | 124.9 (5) |
| O4i—Gd1—O1 | 78.31 (12) | C17—C10—H10 | 117.5 |
| O2i—Gd1—O1 | 124.09 (12) | C21—C10—H10 | 117.5 |
| O4i—Gd1—O3 | 125.63 (12) | C18—C11—C9 | 127.3 (5) |
| O2i—Gd1—O3 | 76.54 (12) | C18—C11—H11 | 116.3 |
| O1—Gd1—O3 | 78.10 (12) | C9—C11—H11 | 116.3 |
| O4i—Gd1—O6ii | 87.00 (12) | C7—C12—C33 | 122.5 (4) |
| O2i—Gd1—O6ii | 76.00 (11) | C7—C12—H12 | 118.7 |
| O1—Gd1—O6ii | 150.72 (11) | C33—C12—H12 | 118.7 |
| O3—Gd1—O6ii | 130.38 (11) | C34—C13—C23 | 116.8 (4) |
| O4i—Gd1—O5 | 143.96 (11) | C34—C13—C7 | 119.6 (4) |
| O2i—Gd1—O5 | 138.40 (12) | C23—C13—C7 | 123.6 (4) |
| O1—Gd1—O5 | 77.47 (11) | N3—C14—C21 | 125.3 (6) |
| O3—Gd1—O5 | 74.21 (11) | N3—C14—H14 | 117.4 |
| O6ii—Gd1—O5 | 101.73 (11) | C21—C14—H14 | 117.4 |
| O4i—Gd1—O6 | 153.58 (11) | N1—C15—C27 | 123.7 (4) |
| O2i—Gd1—O6 | 90.69 (11) | N1—C15—H15 | 118.1 |
| O1—Gd1—O6 | 127.08 (11) | C27—C15—H15 | 118.1 |
| O3—Gd1—O6 | 72.81 (11) | C30—N2—C25 | 116.1 (5) |
| O6ii—Gd1—O6 | 67.07 (13) | C10—C17—C6 | 125.8 (5) |
| O5—Gd1—O6 | 52.66 (10) | C10—C17—H17 | 117.1 |
| O4i—Gd1—N1iii | 76.53 (12) | C6—C17—H17 | 117.1 |
| O2i—Gd1—N1iii | 139.77 (13) | C11—C18—C5 | 121.1 (5) |
| O1—Gd1—N1iii | 79.57 (11) | C11—C18—H18 | 119.4 |
| O3—Gd1—N1iii | 143.62 (12) | C5—C18—H18 | 119.4 |
| O6ii—Gd1—N1iii | 72.39 (11) | C22—C20—C9 | 119.5 (5) |
| O5—Gd1—N1iii | 73.15 (11) | C22—C20—H20 | 120.2 |
| O6—Gd1—N1iii | 99.15 (11) | C9—C20—H20 | 120.2 |
| O4i—Gd1—C5 | 165.50 (12) | C14—C21—C28 | 115.8 (5) |
| O2i—Gd1—C5 | 113.80 (13) | C14—C21—C10 | 120.6 (5) |
| O1—Gd1—C5 | 100.73 (12) | C28—C21—C10 | 123.6 (5) |
| O3—Gd1—C5 | 67.56 (12) | C20—C22—C30 | 118.8 (5) |
| O6ii—Gd1—C5 | 87.27 (12) | C20—C22—H22 | 120.6 |
| O5—Gd1—C5 | 26.20 (11) | C30—C22—H22 | 120.6 |
| O6—Gd1—C5 | 27.02 (11) | C27—C23—C13 | 119.2 (4) |
| N1iii—Gd1—C5 | 89.04 (12) | C27—C23—H23 | 120.4 |
| C33—O1—Gd1 | 123.6 (3) | C13—C23—H23 | 120.4 |
| C33—O2—Gd1i | 167.0 (3) | C26—N3—C14 | 116.5 (5) |
| C6—O3—Gd1 | 141.8 (3) | N2—C25—C9 | 125.5 (5) |
| C6—O4—Gd1i | 142.2 (3) | N2—C25—H25 | 117.2 |
| C5—O5—Gd1 | 95.2 (3) | C9—C25—H25 | 117.2 |
| C5—O6—Gd1ii | 131.5 (3) | N3—C26—C29 | 123.7 (6) |
| C5—O6—Gd1 | 89.5 (3) | N3—C26—H26 | 118.2 |
| Gd1ii—O6—Gd1 | 112.93 (13) | C29—C26—H26 | 118.2 |
| C15—N1—C34 | 115.8 (4) | C23—C27—C15 | 119.2 (5) |
| C15—N1—Gd1iii | 126.0 (3) | C23—C27—H27 | 120.4 |
| C34—N1—Gd1iii | 118.2 (3) | C15—C27—H27 | 120.4 |
| O5—C5—O6 | 120.1 (4) | C29—C28—C21 | 120.1 (6) |
| O5—C5—C18 | 121.7 (4) | C29—C28—H28 | 119.9 |
| O6—C5—C18 | 118.2 (4) | C21—C28—H28 | 119.9 |
| O5—C5—Gd1 | 58.6 (2) | C26—C29—C28 | 118.7 (6) |
| O6—C5—Gd1 | 63.4 (2) | C26—C29—H29 | 120.7 |
| C18—C5—Gd1 | 163.9 (3) | C28—C29—H29 | 120.7 |
| O3—C6—O4 | 126.4 (4) | N2—C30—C22 | 123.5 (5) |
| O3—C6—C17 | 119.0 (4) | N2—C30—H30 | 118.3 |
| O4—C6—C17 | 114.6 (4) | C22—C30—H30 | 118.3 |
| C12—C7—C13 | 127.0 (5) | O1—C33—O2 | 125.1 (4) |
| C12—C7—H7 | 116.5 | O1—C33—C12 | 118.5 (4) |
| C13—C7—H7 | 116.5 | O2—C33—C12 | 116.4 (4) |
| C20—C9—C25 | 116.5 (5) | N1—C34—C13 | 125.3 (4) |
| C20—C9—C11 | 124.1 (4) | N1—C34—H34 | 117.4 |
| C25—C9—C11 | 119.4 (5) | C13—C34—H34 | 117.4 |
| O4i—Gd1—O1—C33 | 63.2 (4) | O4i—Gd1—C5—C18 | 153.1 (10) |
| O2i—Gd1—O1—C33 | −3.0 (4) | O2i—Gd1—C5—C18 | −66.6 (12) |
| O3—Gd1—O1—C33 | −67.5 (4) | O1—Gd1—C5—C18 | 68.3 (12) |
| O6ii—Gd1—O1—C33 | 124.6 (3) | O3—Gd1—C5—C18 | −3.9 (11) |
| O5—Gd1—O1—C33 | −143.7 (4) | O6ii—Gd1—C5—C18 | −140.0 (12) |
| O6—Gd1—O1—C33 | −124.9 (3) | O5—Gd1—C5—C18 | 96.1 (12) |
| N1iii—Gd1—O1—C33 | 141.4 (4) | O6—Gd1—C5—C18 | −100.0 (12) |
| C5—Gd1—O1—C33 | −131.6 (4) | N1iii—Gd1—C5—C18 | 147.5 (12) |
| O4i—Gd1—O3—C6 | 25.1 (5) | Gd1—O3—C6—O4 | −9.9 (9) |
| O2i—Gd1—O3—C6 | −38.6 (5) | Gd1—O3—C6—C17 | 171.4 (4) |
| O1—Gd1—O3—C6 | 91.1 (5) | Gd1i—O4—C6—O3 | −16.9 (9) |
| O6ii—Gd1—O3—C6 | −96.6 (5) | Gd1i—O4—C6—C17 | 161.9 (4) |
| O5—Gd1—O3—C6 | 171.3 (5) | C20—C9—C11—C18 | −4.1 (9) |
| O6—Gd1—O3—C6 | −133.6 (5) | C25—C9—C11—C18 | 177.1 (6) |
| N1iii—Gd1—O3—C6 | 144.4 (5) | C13—C7—C12—C33 | 174.8 (5) |
| C5—Gd1—O3—C6 | −161.8 (5) | C12—C7—C13—C34 | −159.3 (5) |
| O4i—Gd1—O5—C5 | −159.1 (3) | C12—C7—C13—C23 | 20.9 (8) |
| O2i—Gd1—O5—C5 | 24.2 (3) | C34—N1—C15—C27 | −0.4 (7) |
| O1—Gd1—O5—C5 | 152.1 (3) | Gd1iii—N1—C15—C27 | 177.8 (4) |
| O3—Gd1—O5—C5 | 71.1 (3) | C21—C10—C17—C6 | 176.4 (5) |
| O6ii—Gd1—O5—C5 | −57.9 (3) | O3—C6—C17—C10 | 6.8 (8) |
| O6—Gd1—O5—C5 | −9.1 (2) | O4—C6—C17—C10 | −172.1 (5) |
| N1iii—Gd1—O5—C5 | −125.2 (3) | C9—C11—C18—C5 | 174.6 (5) |
| O4i—Gd1—O6—C5 | 147.4 (3) | O5—C5—C18—C11 | −3.9 (7) |
| O2i—Gd1—O6—C5 | −149.8 (3) | O6—C5—C18—C11 | 178.5 (4) |
| O1—Gd1—O6—C5 | −14.5 (3) | Gd1—C5—C18—C11 | −89.9 (12) |
| O3—Gd1—O6—C5 | −74.2 (2) | C25—C9—C20—C22 | 0.6 (8) |
| O6ii—Gd1—O6—C5 | 135.7 (3) | C11—C9—C20—C22 | −178.2 (5) |
| O5—Gd1—O6—C5 | 8.8 (2) | N3—C14—C21—C28 | −0.9 (9) |
| N1iii—Gd1—O6—C5 | 69.3 (3) | N3—C14—C21—C10 | 177.3 (6) |
| O4i—Gd1—O6—Gd1ii | 11.7 (3) | C17—C10—C21—C14 | −159.1 (6) |
| O2i—Gd1—O6—Gd1ii | 74.46 (14) | C17—C10—C21—C28 | 18.9 (9) |
| O1—Gd1—O6—Gd1ii | −150.16 (12) | C9—C20—C22—C30 | 0.3 (9) |
| O3—Gd1—O6—Gd1ii | 150.14 (15) | C34—C13—C23—C27 | −0.8 (8) |
| O6ii—Gd1—O6—Gd1ii | 0.0 | C7—C13—C23—C27 | 179.0 (5) |
| O5—Gd1—O6—Gd1ii | −126.89 (17) | C21—C14—N3—C26 | 0.6 (10) |
| N1iii—Gd1—O6—Gd1ii | −66.37 (14) | C30—N2—C25—C9 | −0.6 (9) |
| C5—Gd1—O6—Gd1ii | −135.7 (3) | C20—C9—C25—N2 | −0.5 (9) |
| Gd1—O5—C5—O6 | 16.6 (4) | C11—C9—C25—N2 | 178.4 (6) |
| Gd1—O5—C5—C18 | −161.1 (4) | C14—N3—C26—C29 | −0.3 (10) |
| Gd1ii—O6—C5—O5 | 105.1 (5) | C13—C23—C27—C15 | 1.1 (8) |
| Gd1—O6—C5—O5 | −15.8 (4) | N1—C15—C27—C23 | −0.5 (8) |
| Gd1ii—O6—C5—C18 | −77.2 (5) | C14—C21—C28—C29 | 0.9 (9) |
| Gd1—O6—C5—C18 | 161.9 (4) | C10—C21—C28—C29 | −177.2 (6) |
| Gd1ii—O6—C5—Gd1 | 120.9 (3) | N3—C26—C29—C28 | 0.4 (10) |
| O4i—Gd1—C5—O5 | 57.1 (6) | C21—C28—C29—C26 | −0.6 (10) |
| O2i—Gd1—C5—O5 | −162.7 (2) | C25—N2—C30—C22 | 1.6 (9) |
| O1—Gd1—C5—O5 | −27.7 (3) | C20—C22—C30—N2 | −1.5 (9) |
| O3—Gd1—C5—O5 | −99.9 (3) | Gd1—O1—C33—O2 | 4.5 (7) |
| O6ii—Gd1—C5—O5 | 123.9 (3) | Gd1—O1—C33—C12 | −175.5 (3) |
| O6—Gd1—C5—O5 | 164.0 (4) | Gd1i—O2—C33—O1 | −7.7 (18) |
| N1iii—Gd1—C5—O5 | 51.5 (3) | Gd1i—O2—C33—C12 | 172.4 (12) |
| O4i—Gd1—C5—O6 | −106.9 (5) | C7—C12—C33—O1 | 15.5 (7) |
| O2i—Gd1—C5—O6 | 33.3 (3) | C7—C12—C33—O2 | −164.5 (5) |
| O1—Gd1—C5—O6 | 168.3 (2) | C15—N1—C34—C13 | 0.7 (7) |
| O3—Gd1—C5—O6 | 96.1 (2) | Gd1iii—N1—C34—C13 | −177.6 (4) |
| O6ii—Gd1—C5—O6 | −40.1 (3) | C23—C13—C34—N1 | −0.1 (8) |
| O5—Gd1—C5—O6 | −164.0 (4) | C7—C13—C34—N1 | −179.9 (5) |
| N1iii—Gd1—C5—O6 | −112.5 (2) |
Selected bond lengths (Å)
| Gd1—O4i | 2.305 (3) |
| Gd1—O2i | 2.305 (3) |
| Gd1—O1 | 2.332 (3) |
| Gd1—O3 | 2.353 (3) |
| Gd1—O6ii | 2.383 (3) |
| Gd1—O5 | 2.440 (3) |
| Gd1—O6 | 2.546 (3) |
| Gd1—N1iii | 2.628 (4) |
Symmetry codes: (i) ; (ii) ; (iii) .