| Literature DB >> 21201615 |
Wei Xiong1, Huihui Xing, Yan Su, Zilu Chen.
Abstract
The title compound, [Gd(C(5)H(2)N(2)O(4))(C(5)H(3)N(2)O(4))(C(12)H(8)N(2))(2)]·2H(2)O, was obtained from a solvothermal reaction of 2,4-dihydroxy-pyrimidine-5-carboxylic acid (H(3)iso), GdCl(3)·6H(2)O and 1,10-phenanthroline (phen). The Gd(III) ion is located on a twofold rotation axis and is coordinated by four N atoms from two chelating phen ligands and four O atoms (5-carboxyl-ate and 4-oxido O atoms) from H(2)iso(-) and Hiso(2-) ligands. The mol-ecules are linked into a three-dimensional network by N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds. The H atom involved in an N-H⋯N hydrogen bond is disordered around a twofold rotation axis with half occupancy.Entities:
Year: 2008 PMID: 21201615 PMCID: PMC2960513 DOI: 10.1107/S1600536808025713
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Gd(C5H2N2O4)(C5H3N2O4)(C12H8N2)2]·2H2O | |
| Monoclinic, | Mo |
| Hall symbol: -C 2yc | Cell parameters from 3284 reflections |
| θ = 2.3–25.5º | |
| µ = 2.13 mm−1 | |
| β = 99.955 (5)º | Block, colourless |
| 0.20 × 0.10 × 0.10 mm | |
| Bruker APEXII CCD area-detector diffractometer | 3686 independent reflections |
| Radiation source: fine-focus sealed tube | 3212 reflections with |
| Monochromator: graphite | |
| θmax = 27.5º | |
| φ and ω scans | θmin = 2.3º |
| Absorption correction: multi-scan(SADABS; Bruker, 1998) | |
| 9884 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 | |
| 3686 reflections | Δρmax = 0.74 e Å−3 |
| 240 parameters | Δρmin = −0.65 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 |
| Occ. (<1) | |||||
| Gd1 | 0.5000 | 0.111515 (14) | 0.2500 | 0.02254 (7) | |
| O1 | 0.42801 (12) | −0.00176 (14) | 0.31169 (16) | 0.0329 (5) | |
| O2 | 0.34603 (14) | −0.11272 (15) | 0.33997 (16) | 0.0352 (5) | |
| O3 | 0.40327 (12) | 0.06523 (14) | 0.11160 (16) | 0.0320 (5) | |
| O4 | 0.26936 (15) | −0.11830 (15) | −0.13464 (17) | 0.0424 (6) | |
| N1 | 0.33231 (15) | −0.02639 (17) | −0.00642 (19) | 0.0296 (6) | |
| H1 | 0.3371 | 0.0157 | −0.0508 | 0.035* | |
| N2 | 0.28238 (16) | −0.16877 (18) | 0.0304 (2) | 0.0361 (7) | |
| H2 | 0.2589 | −0.2201 | 0.0125 | 0.043* | 0.50 |
| N3 | 0.40482 (14) | 0.25042 (17) | 0.2136 (2) | 0.0300 (6) | |
| N4 | 0.46494 (14) | 0.19709 (17) | 0.40957 (19) | 0.0282 (6) | |
| C1 | 0.34878 (17) | −0.0740 (2) | 0.1674 (2) | 0.0248 (7) | |
| C2 | 0.36429 (17) | −0.0080 (2) | 0.0939 (2) | 0.0251 (7) | |
| C3 | 0.29303 (19) | −0.1061 (2) | −0.0434 (2) | 0.0304 (7) | |
| C4 | 0.3080 (2) | −0.1512 (2) | 0.1292 (2) | 0.0348 (8) | |
| H4 | 0.2973 | −0.1949 | 0.1765 | 0.042* | |
| C5 | 0.37526 (17) | −0.0627 (2) | 0.2800 (2) | 0.0248 (6) | |
| C6 | 0.37014 (18) | 0.2746 (2) | 0.1201 (3) | 0.0372 (8) | |
| H6 | 0.3689 | 0.2319 | 0.0672 | 0.045* | |
| C7 | 0.3352 (2) | 0.3608 (3) | 0.0960 (3) | 0.0475 (10) | |
| H7 | 0.3113 | 0.3747 | 0.0290 | 0.057* | |
| C8 | 0.3372 (2) | 0.4239 (3) | 0.1725 (3) | 0.0499 (10) | |
| H8 | 0.3157 | 0.4822 | 0.1577 | 0.060* | |
| C9 | 0.3710 (2) | 0.4014 (2) | 0.2728 (3) | 0.0428 (9) | |
| C10 | 0.3742 (2) | 0.4633 (3) | 0.3580 (4) | 0.0592 (12) | |
| H10 | 0.3547 | 0.5229 | 0.3461 | 0.071* | |
| C11 | 0.4042 (3) | 0.4380 (3) | 0.4535 (4) | 0.0618 (12) | |
| H11 | 0.4056 | 0.4803 | 0.5068 | 0.074* | |
| C12 | 0.4346 (2) | 0.3467 (3) | 0.4763 (3) | 0.0442 (9) | |
| C13 | 0.4638 (2) | 0.3150 (3) | 0.5755 (3) | 0.0577 (11) | |
| H13 | 0.4648 | 0.3543 | 0.6314 | 0.069* | |
| C14 | 0.4906 (2) | 0.2274 (3) | 0.5910 (3) | 0.0510 (10) | |
| H14 | 0.5088 | 0.2056 | 0.6571 | 0.061* | |
| C15 | 0.49028 (19) | 0.1703 (3) | 0.5054 (2) | 0.0359 (8) | |
| H15 | 0.5089 | 0.1103 | 0.5166 | 0.043* | |
| C16 | 0.43530 (18) | 0.2836 (2) | 0.3944 (2) | 0.0298 (7) | |
| C17 | 0.40366 (18) | 0.3123 (2) | 0.2911 (3) | 0.0317 (7) | |
| O5 | 0.3084 (2) | 0.6863 (2) | 0.3396 (2) | 0.0901 (11) | |
| H5A | 0.2777 | 0.6708 | 0.2847 | 0.135* | |
| H5B | 0.3166 | 0.7439 | 0.3441 | 0.135* |
| Gd1 | 0.02861 (12) | 0.01718 (12) | 0.01966 (12) | 0.000 | −0.00192 (8) | 0.000 |
| O1 | 0.0440 (13) | 0.0318 (13) | 0.0208 (11) | −0.0131 (11) | −0.0007 (10) | 0.0008 (9) |
| O2 | 0.0496 (14) | 0.0348 (13) | 0.0209 (11) | −0.0118 (11) | 0.0055 (10) | 0.0019 (10) |
| O3 | 0.0427 (13) | 0.0250 (12) | 0.0243 (12) | −0.0113 (10) | −0.0055 (10) | 0.0032 (9) |
| O4 | 0.0627 (16) | 0.0363 (14) | 0.0217 (12) | −0.0031 (12) | −0.0108 (11) | −0.0055 (10) |
| N1 | 0.0409 (15) | 0.0272 (15) | 0.0179 (13) | −0.0076 (12) | −0.0023 (11) | 0.0023 (11) |
| N2 | 0.0533 (18) | 0.0244 (15) | 0.0264 (15) | −0.0114 (13) | −0.0043 (13) | −0.0024 (12) |
| N3 | 0.0299 (14) | 0.0263 (15) | 0.0319 (15) | 0.0024 (11) | 0.0000 (12) | 0.0012 (11) |
| N4 | 0.0324 (14) | 0.0271 (14) | 0.0244 (14) | 0.0016 (11) | 0.0028 (11) | 0.0010 (11) |
| C1 | 0.0306 (16) | 0.0229 (16) | 0.0197 (15) | −0.0035 (13) | 0.0005 (13) | 0.0026 (12) |
| C2 | 0.0286 (16) | 0.0229 (16) | 0.0215 (16) | 0.0005 (13) | −0.0022 (13) | −0.0024 (12) |
| C3 | 0.0350 (17) | 0.0259 (17) | 0.0268 (17) | 0.0014 (14) | −0.0045 (14) | −0.0039 (14) |
| C4 | 0.049 (2) | 0.0291 (18) | 0.0247 (17) | −0.0116 (16) | 0.0025 (15) | 0.0013 (14) |
| C5 | 0.0331 (17) | 0.0219 (16) | 0.0191 (15) | −0.0014 (13) | 0.0031 (13) | −0.0010 (12) |
| C6 | 0.0365 (18) | 0.039 (2) | 0.0339 (19) | 0.0071 (16) | −0.0002 (15) | 0.0067 (15) |
| C7 | 0.043 (2) | 0.051 (2) | 0.047 (2) | 0.0128 (18) | 0.0026 (18) | 0.0207 (19) |
| C8 | 0.049 (2) | 0.033 (2) | 0.068 (3) | 0.0107 (18) | 0.010 (2) | 0.019 (2) |
| C9 | 0.040 (2) | 0.028 (2) | 0.062 (3) | 0.0083 (15) | 0.0133 (18) | 0.0040 (17) |
| C10 | 0.069 (3) | 0.030 (2) | 0.079 (3) | 0.016 (2) | 0.015 (2) | −0.006 (2) |
| C11 | 0.077 (3) | 0.037 (2) | 0.071 (3) | 0.014 (2) | 0.013 (3) | −0.025 (2) |
| C12 | 0.050 (2) | 0.039 (2) | 0.045 (2) | 0.0016 (18) | 0.0112 (18) | −0.0138 (18) |
| C13 | 0.063 (3) | 0.068 (3) | 0.043 (2) | 0.007 (2) | 0.010 (2) | −0.023 (2) |
| C14 | 0.054 (2) | 0.069 (3) | 0.029 (2) | 0.012 (2) | 0.0063 (18) | −0.0081 (19) |
| C15 | 0.0372 (18) | 0.043 (2) | 0.0270 (18) | 0.0053 (16) | 0.0051 (15) | 0.0013 (15) |
| C16 | 0.0294 (17) | 0.0257 (17) | 0.0348 (19) | 0.0005 (13) | 0.0067 (14) | −0.0027 (14) |
| C17 | 0.0271 (16) | 0.0278 (18) | 0.041 (2) | 0.0021 (13) | 0.0089 (15) | 0.0027 (15) |
| O5 | 0.133 (3) | 0.051 (2) | 0.070 (2) | 0.000 (2) | −0.027 (2) | 0.0100 (16) |
| Gd1—O1 | 2.288 (2) | C1—C5 | 1.485 (4) |
| Gd1—O1i | 2.288 (2) | C4—H4 | 0.93 |
| Gd1—O3i | 2.344 (2) | C6—C7 | 1.399 (5) |
| Gd1—O3 | 2.344 (2) | C6—H6 | 0.93 |
| Gd1—N3i | 2.586 (3) | C7—C8 | 1.358 (6) |
| Gd1—N3 | 2.586 (3) | C7—H7 | 0.93 |
| Gd1—N4 | 2.603 (3) | C8—C9 | 1.389 (5) |
| Gd1—N4i | 2.603 (3) | C8—H8 | 0.93 |
| O1—C5 | 1.282 (3) | C9—C17 | 1.414 (4) |
| O2—C5 | 1.242 (3) | C9—C10 | 1.432 (6) |
| O3—C2 | 1.256 (3) | C10—C11 | 1.329 (6) |
| O4—C3 | 1.216 (4) | C10—H10 | 0.93 |
| N1—C2 | 1.369 (4) | C11—C12 | 1.435 (6) |
| N1—C3 | 1.383 (4) | C11—H11 | 0.93 |
| N1—H1 | 0.86 | C12—C13 | 1.396 (5) |
| N2—C4 | 1.327 (4) | C12—C16 | 1.417 (5) |
| N2—C3 | 1.367 (4) | C13—C14 | 1.355 (5) |
| N2—H2 | 0.86 | C13—H13 | 0.93 |
| N3—C6 | 1.322 (4) | C14—C15 | 1.399 (5) |
| N3—C17 | 1.364 (4) | C14—H14 | 0.93 |
| N4—C15 | 1.323 (4) | C15—H15 | 0.93 |
| N4—C16 | 1.356 (4) | C16—C17 | 1.439 (4) |
| C1—C4 | 1.369 (4) | O5—H5A | 0.85 |
| C1—C2 | 1.421 (4) | O5—H5B | 0.85 |
| O1—Gd1—O1i | 88.22 (11) | N1—C2—C1 | 116.0 (3) |
| O1—Gd1—O3i | 82.54 (8) | O4—C3—N2 | 123.0 (3) |
| O1i—Gd1—O3i | 73.65 (8) | O4—C3—N1 | 122.0 (3) |
| O1—Gd1—O3 | 73.65 (8) | N2—C3—N1 | 114.9 (3) |
| O1i—Gd1—O3 | 82.54 (8) | N2—C4—C1 | 125.5 (3) |
| O3i—Gd1—O3 | 146.71 (11) | N2—C4—H4 | 117.3 |
| O1—Gd1—N3i | 148.84 (8) | C1—C4—H4 | 117.3 |
| O1i—Gd1—N3i | 105.26 (9) | O2—C5—O1 | 122.3 (3) |
| O3i—Gd1—N3i | 74.86 (8) | O2—C5—C1 | 119.0 (3) |
| O3—Gd1—N3i | 135.03 (8) | O1—C5—C1 | 118.6 (3) |
| O1—Gd1—N3 | 105.26 (9) | N3—C6—C7 | 123.7 (3) |
| O1i—Gd1—N3 | 148.84 (8) | N3—C6—H6 | 118.1 |
| O3i—Gd1—N3 | 135.03 (8) | C7—C6—H6 | 118.1 |
| O3—Gd1—N3 | 74.86 (8) | C8—C7—C6 | 118.6 (4) |
| N3i—Gd1—N3 | 77.63 (12) | C8—C7—H7 | 120.7 |
| O1—Gd1—N4 | 80.80 (8) | C6—C7—H7 | 120.7 |
| O1i—Gd1—N4 | 147.64 (8) | C7—C8—C9 | 120.2 (4) |
| O3i—Gd1—N4 | 74.79 (8) | C7—C8—H8 | 119.9 |
| O3—Gd1—N4 | 122.38 (8) | C9—C8—H8 | 119.9 |
| N3i—Gd1—N4 | 72.83 (8) | C8—C9—C17 | 117.7 (4) |
| N3—Gd1—N4 | 63.39 (8) | C8—C9—C10 | 123.7 (4) |
| O1—Gd1—N4i | 147.64 (8) | C17—C9—C10 | 118.6 (4) |
| O1i—Gd1—N4i | 80.80 (8) | C11—C10—C9 | 121.9 (4) |
| O3i—Gd1—N4i | 122.38 (8) | C11—C10—H10 | 119.1 |
| O3—Gd1—N4i | 74.79 (8) | C9—C10—H10 | 119.1 |
| N3i—Gd1—N4i | 63.39 (8) | C10—C11—C12 | 121.4 (4) |
| N3—Gd1—N4i | 72.83 (8) | C10—C11—H11 | 119.3 |
| N4—Gd1—N4i | 123.04 (11) | C12—C11—H11 | 119.3 |
| C5—O1—Gd1 | 140.60 (19) | C13—C12—C16 | 116.9 (3) |
| C2—O3—Gd1 | 132.05 (19) | C13—C12—C11 | 124.0 (4) |
| C2—N1—C3 | 126.4 (3) | C16—C12—C11 | 119.1 (4) |
| C2—N1—H1 | 116.8 | C14—C13—C12 | 120.5 (4) |
| C3—N1—H1 | 116.8 | C14—C13—H13 | 119.7 |
| C4—N2—C3 | 120.6 (3) | C12—C13—H13 | 119.7 |
| C4—N2—H2 | 119.7 | C13—C14—C15 | 118.7 (4) |
| C3—N2—H2 | 119.7 | C13—C14—H14 | 120.7 |
| C6—N3—C17 | 117.6 (3) | C15—C14—H14 | 120.7 |
| C6—N3—Gd1 | 123.3 (2) | N4—C15—C14 | 123.6 (3) |
| C17—N3—Gd1 | 117.6 (2) | N4—C15—H15 | 118.2 |
| C15—N4—C16 | 117.7 (3) | C14—C15—H15 | 118.2 |
| C15—N4—Gd1 | 123.4 (2) | N4—C16—C12 | 122.5 (3) |
| C16—N4—Gd1 | 117.1 (2) | N4—C16—C17 | 118.5 (3) |
| C4—C1—C2 | 116.3 (3) | C12—C16—C17 | 119.0 (3) |
| C4—C1—C5 | 120.5 (3) | N3—C17—C9 | 122.0 (3) |
| C2—C1—C5 | 123.2 (3) | N3—C17—C16 | 118.0 (3) |
| O3—C2—N1 | 117.1 (3) | C9—C17—C16 | 120.0 (3) |
| O3—C2—C1 | 126.9 (3) | H5A—O5—H5B | 113.1 |
| O1i—Gd1—O1—C5 | −72.3 (3) | C4—N2—C3—O4 | −178.6 (3) |
| O3i—Gd1—O1—C5 | −146.0 (3) | C4—N2—C3—N1 | 0.8 (5) |
| O3—Gd1—O1—C5 | 10.5 (3) | C2—N1—C3—O4 | −176.8 (3) |
| N3i—Gd1—O1—C5 | 170.5 (3) | C2—N1—C3—N2 | 3.9 (5) |
| N3—Gd1—O1—C5 | 79.2 (3) | C3—N2—C4—C1 | −2.7 (5) |
| N4—Gd1—O1—C5 | 138.3 (3) | C2—C1—C4—N2 | 0.2 (5) |
| N4i—Gd1—O1—C5 | −2.7 (4) | C5—C1—C4—N2 | −179.2 (3) |
| O1—Gd1—O3—C2 | −23.0 (3) | Gd1—O1—C5—O2 | −176.9 (2) |
| O1i—Gd1—O3—C2 | 67.3 (3) | Gd1—O1—C5—C1 | 3.6 (5) |
| O3i—Gd1—O3—C2 | 23.1 (3) | C4—C1—C5—O2 | −15.4 (5) |
| N3i—Gd1—O3—C2 | 171.5 (2) | C2—C1—C5—O2 | 165.2 (3) |
| N3—Gd1—O3—C2 | −134.3 (3) | C4—C1—C5—O1 | 164.1 (3) |
| N4—Gd1—O3—C2 | −90.5 (3) | C2—C1—C5—O1 | −15.2 (5) |
| N4i—Gd1—O3—C2 | 149.8 (3) | C17—N3—C6—C7 | 2.5 (5) |
| O1—Gd1—N3—C6 | −104.0 (2) | Gd1—N3—C6—C7 | −163.2 (3) |
| O1i—Gd1—N3—C6 | 8.9 (3) | N3—C6—C7—C8 | 0.3 (6) |
| O3i—Gd1—N3—C6 | 161.3 (2) | C6—C7—C8—C9 | −2.0 (6) |
| O3—Gd1—N3—C6 | −36.1 (2) | C7—C8—C9—C17 | 0.9 (5) |
| N3i—Gd1—N3—C6 | 108.0 (3) | C7—C8—C9—C10 | −178.9 (4) |
| N4—Gd1—N3—C6 | −175.2 (3) | C8—C9—C10—C11 | 177.3 (4) |
| N4i—Gd1—N3—C6 | 42.3 (2) | C17—C9—C10—C11 | −2.5 (6) |
| O1—Gd1—N3—C17 | 90.3 (2) | C9—C10—C11—C12 | −0.4 (7) |
| O1i—Gd1—N3—C17 | −156.8 (2) | C10—C11—C12—C13 | −177.2 (4) |
| O3i—Gd1—N3—C17 | −4.4 (3) | C10—C11—C12—C16 | 2.5 (6) |
| O3—Gd1—N3—C17 | 158.2 (2) | C16—C12—C13—C14 | −0.5 (6) |
| N3i—Gd1—N3—C17 | −57.7 (2) | C11—C12—C13—C14 | 179.1 (4) |
| N4—Gd1—N3—C17 | 19.1 (2) | C12—C13—C14—C15 | 1.6 (6) |
| N4i—Gd1—N3—C17 | −123.4 (2) | C16—N4—C15—C14 | −2.3 (5) |
| O1—Gd1—N4—C15 | 64.5 (2) | Gd1—N4—C15—C14 | 162.0 (3) |
| O1i—Gd1—N4—C15 | −7.1 (3) | C13—C14—C15—N4 | −0.2 (6) |
| O3i—Gd1—N4—C15 | −20.2 (2) | C15—N4—C16—C12 | 3.4 (5) |
| O3—Gd1—N4—C15 | 128.4 (2) | Gd1—N4—C16—C12 | −161.8 (3) |
| N3i—Gd1—N4—C15 | −98.7 (3) | C15—N4—C16—C17 | −176.8 (3) |
| N3—Gd1—N4—C15 | 176.8 (3) | Gd1—N4—C16—C17 | 18.0 (3) |
| N4i—Gd1—N4—C15 | −139.2 (3) | C13—C12—C16—N4 | −2.1 (5) |
| O1—Gd1—N4—C16 | −131.1 (2) | C11—C12—C16—N4 | 178.2 (3) |
| O1i—Gd1—N4—C16 | 157.20 (19) | C13—C12—C16—C17 | 178.2 (3) |
| O3i—Gd1—N4—C16 | 144.2 (2) | C11—C12—C16—C17 | −1.5 (5) |
| O3—Gd1—N4—C16 | −67.3 (2) | C6—N3—C17—C9 | −3.7 (5) |
| N3i—Gd1—N4—C16 | 65.6 (2) | Gd1—N3—C17—C9 | 162.9 (2) |
| N3—Gd1—N4—C16 | −18.8 (2) | C6—N3—C17—C16 | 174.8 (3) |
| N4i—Gd1—N4—C16 | 25.13 (19) | Gd1—N3—C17—C16 | −18.6 (4) |
| Gd1—O3—C2—N1 | −158.7 (2) | C8—C9—C17—N3 | 2.0 (5) |
| Gd1—O3—C2—C1 | 22.2 (5) | C10—C9—C17—N3 | −178.1 (3) |
| C3—N1—C2—O3 | 174.5 (3) | C8—C9—C17—C16 | −176.4 (3) |
| C3—N1—C2—C1 | −6.2 (5) | C10—C9—C17—C16 | 3.4 (5) |
| C4—C1—C2—O3 | −176.9 (3) | N4—C16—C17—N3 | 0.3 (4) |
| C5—C1—C2—O3 | 2.5 (5) | C12—C16—C17—N3 | −179.9 (3) |
| C4—C1—C2—N1 | 3.9 (4) | N4—C16—C17—C9 | 178.8 (3) |
| C5—C1—C2—N1 | −176.7 (3) | C12—C16—C17—C9 | −1.4 (5) |
| H··· | ||||
| N1—H1···O2ii | 0.86 | 2.04 | 2.898 (3) | 178 |
| N1—H1···O1ii | 0.86 | 2.60 | 3.160 (4) | 124 |
| N2—H2···N2iii | 0.86 | 1.81 | 2.669 (5) | 174 |
| O5—H5A···O4iv | 0.85 | 2.14 | 2.970 (4) | 164 |
| O5—H5B···O2v | 0.85 | 2.14 | 2.985 (4) | 173 |
| Gd1—O1 | 2.288 (2) |
| Gd1—O3 | 2.344 (2) |
| Gd1—N3 | 2.586 (3) |
| Gd1—N4 | 2.603 (3) |
| O1—Gd1—O1i | 88.22 (11) |
| O1—Gd1—O3i | 82.54 (8) |
| O1—Gd1—O3 | 73.65 (8) |
| O3i—Gd1—O3 | 146.71 (11) |
| O1—Gd1—N3i | 148.84 (8) |
| O3—Gd1—N3i | 135.03 (8) |
| O1—Gd1—N3 | 105.26 (9) |
| O3—Gd1—N3 | 74.86 (8) |
| O1—Gd1—N4 | 80.80 (8) |
| O3—Gd1—N4 | 122.38 (8) |
| N3—Gd1—N4 | 63.39 (8) |
| O1—Gd1—N4i | 147.64 (8) |
| O3—Gd1—N4i | 74.79 (8) |
| N3—Gd1—N4i | 72.83 (8) |
| N4—Gd1—N4i | 123.04 (11) |
Symmetry code: (i) .
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| N1—H1⋯O2ii | 0.86 | 2.04 | 2.898 (3) | 178 |
| N1—H1⋯O1ii | 0.86 | 2.60 | 3.160 (4) | 124 |
| N2—H2⋯N2iii | 0.86 | 1.81 | 2.669 (5) | 174 |
| O5—H5 | 0.85 | 2.14 | 2.970 (4) | 164 |
| O5—H5 | 0.85 | 2.14 | 2.985 (4) | 173 |
Symmetry codes: (ii) ; (iii) ; (iv) ; (v) .