| Literature DB >> 21588850 |
Jing-Chun Xing1, Xiao-Guang Cui, Bing Zhang, Wen-Zhi Li.
Abstract
In the title complex, [CuNd(C(20)H(22)N(2)O(4))(NO(3))(3)], the Cu(II) ion is coordinated in a distorted square-planar environment by two O atoms and two N atoms of a tetra-dentate Schiff base ligand. The Nd(III) ion is ten-coordinated by three bis-chelating nitrate groups and four O atoms of the Schiff base ligand. The atoms of one of the nitrato ligands are disordered over two sets of sites, with refined occupancies of 0.567 (13) and 0.433 (17).Entities:
Year: 2010 PMID: 21588850 PMCID: PMC3009133 DOI: 10.1107/S1600536810040833
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [CuNd(C20H22N2O4)(NO3)3] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 17594 reflections |
| θ = 3.1–27.4° | |
| µ = 2.89 mm−1 | |
| β = 100.85 (3)° | Prism, brown |
| 0.22 × 0.18 × 0.13 mm | |
| Rigaku R-AXIS RAPID diffractometer | 5867 independent reflections |
| Radiation source: fine-focus sealed tube | 4644 reflections with |
| graphite | |
| Detector resolution: 10.000 pixels mm-1 | θmax = 27.4°, θmin = 3.1° |
| ω scans | |
| Absorption correction: multi-scan ( | |
| 24553 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 5867 reflections | (Δ/σ)max = 0.001 |
| 376 parameters | Δρmax = 1.32 e Å−3 |
| 0 restraints | Δρmin = −1.79 e Å−3 |
| 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) | |||||
| Nd1 | 0.25894 (2) | 0.250636 (15) | 0.565858 (17) | 0.03466 (10) | |
| Cu1 | 0.55090 (5) | 0.26892 (4) | 0.53616 (4) | 0.04027 (16) | |
| O1 | 0.2027 (3) | 0.1636 (2) | 0.4114 (2) | 0.0475 (8) | |
| O2 | 0.4131 (3) | 0.1970 (2) | 0.4958 (2) | 0.0439 (8) | |
| O3 | 0.4360 (3) | 0.3442 (2) | 0.5784 (2) | 0.0366 (7) | |
| O4 | 0.2599 (3) | 0.4087 (2) | 0.6418 (2) | 0.0445 (8) | |
| O5 | 0.0721 (3) | 0.3308 (2) | 0.5050 (3) | 0.0517 (9) | |
| O6 | 0.2129 (3) | 0.3654 (3) | 0.4382 (3) | 0.0529 (9) | |
| O7 | 0.0552 (5) | 0.4417 (4) | 0.4096 (4) | 0.105 (2) | |
| O8 | 0.0829 (3) | 0.1495 (3) | 0.5693 (3) | 0.0550 (9) | |
| O9 | 0.2512 (3) | 0.0858 (2) | 0.5984 (3) | 0.0564 (10) | |
| O10 | 0.0964 (5) | 0.0073 (3) | 0.6032 (4) | 0.0943 (17) | |
| N5' | 0.342 (3) | 0.2126 (16) | 0.761 (2) | 0.069 (6) | 0.433 (13) |
| O11' | 0.410 (2) | 0.2061 (16) | 0.7055 (19) | 0.069 (4) | 0.433 (13) |
| O12' | 0.2416 (15) | 0.240 (2) | 0.7292 (19) | 0.059 (3) | 0.433 (13) |
| O13' | 0.373 (2) | 0.1966 (15) | 0.8385 (13) | 0.121 (7) | 0.433 (13) |
| N5 | 0.304 (2) | 0.2457 (12) | 0.7648 (17) | 0.069 (6) | 0.567 (13) |
| O11 | 0.3847 (17) | 0.2374 (13) | 0.7216 (13) | 0.069 (4) | 0.567 (13) |
| O12 | 0.1995 (11) | 0.2380 (14) | 0.7202 (13) | 0.059 (3) | 0.567 (13) |
| O13 | 0.3259 (19) | 0.2521 (11) | 0.8489 (9) | 0.121 (7) | 0.567 (13) |
| N1 | 0.6498 (4) | 0.1632 (3) | 0.5145 (3) | 0.0495 (11) | |
| N2 | 0.6655 (3) | 0.3664 (3) | 0.5549 (3) | 0.0366 (8) | |
| N3 | 0.1118 (4) | 0.3809 (3) | 0.4494 (3) | 0.0547 (12) | |
| N4 | 0.1408 (4) | 0.0791 (3) | 0.5906 (3) | 0.0542 (11) | |
| C1 | 0.0887 (5) | 0.1565 (5) | 0.3578 (5) | 0.0682 (18) | |
| H1A | 0.0907 | 0.1732 | 0.2966 | 0.102* | |
| H1B | 0.0370 | 0.1960 | 0.3816 | 0.102* | |
| H1C | 0.0617 | 0.0956 | 0.3593 | 0.102* | |
| C2 | 0.2896 (4) | 0.1137 (3) | 0.3844 (3) | 0.0401 (10) | |
| C3 | 0.2723 (5) | 0.0496 (4) | 0.3175 (4) | 0.0524 (13) | |
| H3A | 0.1977 | 0.0380 | 0.2859 | 0.063* | |
| C4 | 0.3658 (6) | 0.0023 (4) | 0.2970 (4) | 0.0598 (15) | |
| H4A | 0.3536 | −0.0410 | 0.2516 | 0.072* | |
| C5 | 0.4759 (5) | 0.0187 (4) | 0.3430 (4) | 0.0535 (14) | |
| H5A | 0.5378 | −0.0148 | 0.3302 | 0.064* | |
| C6 | 0.4959 (4) | 0.0866 (3) | 0.4103 (4) | 0.0443 (11) | |
| C7 | 0.4019 (4) | 0.1341 (3) | 0.4317 (3) | 0.0384 (10) | |
| C8 | 0.6123 (5) | 0.0994 (3) | 0.4591 (4) | 0.0516 (13) | |
| H8A | 0.6666 | 0.0566 | 0.4495 | 0.062* | |
| C9 | 0.7734 (5) | 0.1518 (4) | 0.5613 (5) | 0.0608 (16) | |
| H9A | 0.7854 | 0.0899 | 0.5815 | 0.073* | |
| H9B | 0.8238 | 0.1633 | 0.5184 | 0.073* | |
| C10 | 0.8068 (5) | 0.2126 (5) | 0.6401 (4) | 0.0622 (16) | |
| H10A | 0.8639 | 0.1824 | 0.6853 | 0.075* | |
| H10B | 0.7390 | 0.2242 | 0.6666 | 0.075* | |
| C11 | 0.8565 (5) | 0.3017 (4) | 0.6162 (4) | 0.0594 (15) | |
| H11A | 0.8647 | 0.3415 | 0.6681 | 0.071* | |
| H11B | 0.9332 | 0.2915 | 0.6030 | 0.071* | |
| C12 | 0.7822 (4) | 0.3475 (4) | 0.5360 (4) | 0.0507 (13) | |
| H12A | 0.8186 | 0.4034 | 0.5232 | 0.061* | |
| H12B | 0.7755 | 0.3090 | 0.4833 | 0.061* | |
| C13 | 0.6470 (4) | 0.4465 (3) | 0.5813 (3) | 0.0366 (10) | |
| H13A | 0.7072 | 0.4875 | 0.5824 | 0.044* | |
| C14 | 0.5442 (4) | 0.4804 (3) | 0.6095 (3) | 0.0316 (9) | |
| C15 | 0.5476 (4) | 0.5709 (3) | 0.6402 (3) | 0.0418 (11) | |
| H15A | 0.6131 | 0.6061 | 0.6396 | 0.050* | |
| C16 | 0.4541 (4) | 0.6062 (3) | 0.6707 (4) | 0.0459 (12) | |
| H16A | 0.4559 | 0.6657 | 0.6904 | 0.055* | |
| C17 | 0.3572 (4) | 0.5538 (3) | 0.6725 (3) | 0.0440 (11) | |
| H17A | 0.2946 | 0.5779 | 0.6942 | 0.053* | |
| C18 | 0.3526 (4) | 0.4661 (3) | 0.6423 (3) | 0.0347 (9) | |
| C19 | 0.4461 (4) | 0.4276 (3) | 0.6092 (3) | 0.0301 (9) | |
| C20 | 0.1685 (5) | 0.4403 (4) | 0.6868 (5) | 0.0643 (17) | |
| H20A | 0.1998 | 0.4508 | 0.7495 | 0.097* | |
| H20B | 0.1084 | 0.3957 | 0.6815 | 0.097* | |
| H20C | 0.1368 | 0.4954 | 0.6592 | 0.097* |
| Nd1 | 0.03264 (15) | 0.03176 (15) | 0.04069 (16) | −0.00236 (9) | 0.00975 (11) | 0.00024 (9) |
| Cu1 | 0.0327 (3) | 0.0394 (3) | 0.0499 (4) | −0.0008 (2) | 0.0108 (3) | −0.0036 (3) |
| O1 | 0.0373 (18) | 0.051 (2) | 0.051 (2) | −0.0014 (16) | 0.0001 (15) | −0.0091 (17) |
| O2 | 0.0324 (16) | 0.0447 (18) | 0.056 (2) | −0.0078 (14) | 0.0118 (15) | −0.0193 (16) |
| O3 | 0.0317 (16) | 0.0320 (15) | 0.0488 (18) | −0.0047 (13) | 0.0146 (14) | −0.0081 (14) |
| O4 | 0.0328 (17) | 0.0444 (18) | 0.061 (2) | −0.0023 (14) | 0.0216 (16) | −0.0115 (16) |
| O5 | 0.0390 (19) | 0.055 (2) | 0.063 (2) | 0.0002 (16) | 0.0136 (17) | 0.0114 (18) |
| O6 | 0.047 (2) | 0.055 (2) | 0.061 (2) | −0.0024 (17) | 0.0220 (18) | 0.0114 (18) |
| O7 | 0.082 (3) | 0.092 (4) | 0.142 (5) | 0.032 (3) | 0.023 (3) | 0.067 (4) |
| O8 | 0.0376 (19) | 0.052 (2) | 0.075 (3) | −0.0042 (17) | 0.0098 (18) | 0.007 (2) |
| O9 | 0.054 (2) | 0.0395 (19) | 0.077 (3) | 0.0041 (17) | 0.015 (2) | 0.0063 (18) |
| O10 | 0.115 (4) | 0.054 (3) | 0.109 (4) | −0.043 (3) | 0.009 (3) | 0.012 (3) |
| N5' | 0.086 (15) | 0.067 (12) | 0.049 (4) | −0.047 (9) | −0.003 (8) | 0.014 (9) |
| O11' | 0.059 (9) | 0.086 (12) | 0.058 (8) | −0.019 (7) | −0.001 (5) | 0.008 (7) |
| O12' | 0.048 (8) | 0.075 (3) | 0.058 (5) | −0.044 (8) | 0.018 (8) | −0.005 (3) |
| O13' | 0.171 (15) | 0.140 (13) | 0.043 (4) | −0.087 (12) | 0.000 (6) | 0.006 (8) |
| N5 | 0.086 (15) | 0.067 (12) | 0.049 (4) | −0.047 (9) | −0.003 (8) | 0.014 (9) |
| O11 | 0.059 (9) | 0.086 (12) | 0.058 (8) | −0.019 (7) | −0.001 (5) | 0.008 (7) |
| O12 | 0.048 (8) | 0.075 (3) | 0.058 (5) | −0.044 (8) | 0.018 (8) | −0.005 (3) |
| O13 | 0.171 (15) | 0.140 (13) | 0.043 (4) | −0.087 (12) | 0.000 (6) | 0.006 (8) |
| N1 | 0.035 (2) | 0.049 (2) | 0.067 (3) | 0.0028 (19) | 0.015 (2) | −0.001 (2) |
| N2 | 0.0322 (19) | 0.038 (2) | 0.042 (2) | −0.0054 (16) | 0.0115 (16) | −0.0019 (16) |
| N3 | 0.051 (3) | 0.045 (2) | 0.066 (3) | 0.002 (2) | 0.006 (2) | 0.013 (2) |
| N4 | 0.067 (3) | 0.041 (2) | 0.054 (3) | −0.019 (2) | 0.009 (2) | 0.000 (2) |
| C1 | 0.038 (3) | 0.086 (5) | 0.073 (4) | 0.000 (3) | −0.007 (3) | −0.017 (4) |
| C2 | 0.041 (3) | 0.042 (3) | 0.039 (2) | −0.003 (2) | 0.010 (2) | 0.002 (2) |
| C3 | 0.063 (3) | 0.053 (3) | 0.040 (3) | −0.010 (3) | 0.007 (2) | −0.006 (2) |
| C4 | 0.080 (4) | 0.053 (3) | 0.049 (3) | 0.000 (3) | 0.020 (3) | −0.016 (3) |
| C5 | 0.066 (4) | 0.047 (3) | 0.056 (3) | 0.004 (3) | 0.031 (3) | −0.006 (2) |
| C6 | 0.046 (3) | 0.042 (3) | 0.050 (3) | −0.004 (2) | 0.022 (2) | −0.004 (2) |
| C7 | 0.042 (3) | 0.034 (2) | 0.041 (2) | −0.0062 (19) | 0.012 (2) | −0.0018 (19) |
| C8 | 0.048 (3) | 0.039 (3) | 0.075 (4) | 0.003 (2) | 0.031 (3) | 0.002 (3) |
| C9 | 0.034 (3) | 0.051 (3) | 0.095 (5) | 0.008 (2) | 0.008 (3) | 0.009 (3) |
| C10 | 0.047 (3) | 0.080 (4) | 0.059 (4) | 0.018 (3) | 0.009 (3) | 0.019 (3) |
| C11 | 0.037 (3) | 0.063 (4) | 0.080 (4) | −0.004 (3) | 0.018 (3) | −0.011 (3) |
| C12 | 0.043 (3) | 0.046 (3) | 0.070 (4) | −0.008 (2) | 0.030 (3) | −0.002 (3) |
| C13 | 0.034 (2) | 0.039 (2) | 0.037 (2) | −0.0070 (19) | 0.0059 (19) | 0.0032 (19) |
| C14 | 0.030 (2) | 0.035 (2) | 0.030 (2) | −0.0031 (17) | 0.0043 (17) | −0.0025 (17) |
| C15 | 0.045 (3) | 0.036 (2) | 0.043 (3) | −0.007 (2) | 0.003 (2) | −0.006 (2) |
| C16 | 0.049 (3) | 0.036 (2) | 0.053 (3) | −0.003 (2) | 0.010 (2) | −0.013 (2) |
| C17 | 0.043 (3) | 0.042 (3) | 0.048 (3) | 0.006 (2) | 0.011 (2) | −0.010 (2) |
| C18 | 0.033 (2) | 0.034 (2) | 0.038 (2) | 0.0009 (18) | 0.0086 (18) | −0.0026 (18) |
| C19 | 0.033 (2) | 0.028 (2) | 0.029 (2) | 0.0001 (17) | 0.0047 (17) | −0.0024 (16) |
| C20 | 0.044 (3) | 0.072 (4) | 0.087 (5) | −0.003 (3) | 0.038 (3) | −0.024 (3) |
| Nd1—O2 | 2.395 (3) | C1—H1B | 0.9600 |
| Nd1—O3 | 2.476 (3) | C1—H1C | 0.9600 |
| Nd1—O9 | 2.501 (4) | C2—C3 | 1.373 (7) |
| Nd1—O5 | 2.510 (4) | C2—C7 | 1.408 (7) |
| Nd1—O12' | 2.51 (3) | C3—C4 | 1.386 (8) |
| Nd1—O11 | 2.53 (2) | C3—H3A | 0.9300 |
| Nd1—O6 | 2.550 (4) | C4—C5 | 1.368 (8) |
| Nd1—O12 | 2.557 (19) | C4—H4A | 0.9300 |
| Nd1—O8 | 2.562 (4) | C5—C6 | 1.418 (7) |
| Nd1—O11' | 2.57 (3) | C5—H5A | 0.9300 |
| Nd1—O4 | 2.609 (3) | C6—C7 | 1.397 (7) |
| Nd1—O1 | 2.634 (3) | C6—C8 | 1.436 (7) |
| Cu1—O2 | 1.938 (3) | C8—H8A | 0.9300 |
| Cu1—O3 | 1.949 (3) | C9—C10 | 1.484 (9) |
| Cu1—N2 | 1.959 (4) | C9—H9A | 0.9700 |
| Cu1—N1 | 2.015 (4) | C9—H9B | 0.9700 |
| O1—C2 | 1.383 (6) | C10—C11 | 1.517 (9) |
| O1—C1 | 1.431 (6) | C10—H10A | 0.9700 |
| O2—C7 | 1.332 (5) | C10—H10B | 0.9700 |
| O3—C19 | 1.319 (5) | C11—C12 | 1.511 (8) |
| O4—C18 | 1.381 (5) | C11—H11A | 0.9700 |
| O4—C20 | 1.451 (6) | C11—H11B | 0.9700 |
| O5—N3 | 1.272 (6) | C12—H12A | 0.9700 |
| O6—N3 | 1.250 (6) | C12—H12B | 0.9700 |
| O7—N3 | 1.211 (6) | C13—C14 | 1.442 (6) |
| O8—N4 | 1.256 (6) | C13—H13A | 0.9300 |
| O9—N4 | 1.283 (6) | C14—C19 | 1.392 (6) |
| O10—N4 | 1.217 (6) | C14—C15 | 1.418 (6) |
| N5'—O13' | 1.18 (4) | C15—C16 | 1.371 (7) |
| N5'—O12' | 1.25 (4) | C15—H15A | 0.9300 |
| N5'—O11' | 1.26 (5) | C16—C17 | 1.382 (7) |
| N5—O13 | 1.25 (3) | C16—H16A | 0.9300 |
| N5—O11 | 1.25 (3) | C17—C18 | 1.376 (6) |
| N5—O12 | 1.29 (2) | C17—H17A | 0.9300 |
| N1—C8 | 1.284 (7) | C18—C19 | 1.409 (6) |
| N1—C9 | 1.498 (6) | C20—H20A | 0.9600 |
| N2—C13 | 1.286 (6) | C20—H20B | 0.9600 |
| N2—C12 | 1.476 (6) | C20—H20C | 0.9600 |
| C1—H1A | 0.9600 | ||
| O2—Nd1—O3 | 61.89 (10) | O11—N5—O12 | 117 (2) |
| O2—Nd1—O9 | 79.58 (13) | O13—N5—Nd1 | 174.0 (13) |
| O3—Nd1—O9 | 126.52 (12) | O11—N5—Nd1 | 58.8 (14) |
| O2—Nd1—O5 | 132.55 (12) | O12—N5—Nd1 | 60.0 (13) |
| O3—Nd1—O5 | 115.05 (11) | N5—O11—Nd1 | 96.2 (15) |
| O9—Nd1—O5 | 118.32 (12) | N5—O12—Nd1 | 94.1 (14) |
| O2—Nd1—O12' | 128.2 (6) | C8—N1—C9 | 113.9 (5) |
| O3—Nd1—O12' | 100.5 (4) | C8—N1—Cu1 | 122.9 (4) |
| O9—Nd1—O12' | 74.5 (7) | C9—N1—Cu1 | 123.2 (4) |
| O5—Nd1—O12' | 99.3 (6) | C13—N2—C12 | 116.9 (4) |
| O2—Nd1—O11 | 91.5 (4) | C13—N2—Cu1 | 125.3 (3) |
| O3—Nd1—O11 | 68.8 (5) | C12—N2—Cu1 | 117.9 (3) |
| O9—Nd1—O11 | 77.2 (5) | O7—N3—O6 | 121.1 (5) |
| O5—Nd1—O11 | 133.7 (4) | O7—N3—O5 | 121.8 (5) |
| O12'—Nd1—O11 | 39.5 (6) | O6—N3—O5 | 117.1 (4) |
| O2—Nd1—O6 | 87.72 (12) | O7—N3—Nd1 | 172.4 (5) |
| O3—Nd1—O6 | 74.83 (12) | O6—N3—Nd1 | 59.6 (2) |
| O9—Nd1—O6 | 142.32 (14) | O5—N3—Nd1 | 57.9 (2) |
| O5—Nd1—O6 | 50.31 (12) | O10—N4—O8 | 122.9 (5) |
| O12'—Nd1—O6 | 137.4 (7) | O10—N4—O9 | 120.6 (5) |
| O11—Nd1—O6 | 138.9 (5) | O8—N4—O9 | 116.5 (4) |
| O2—Nd1—O12 | 137.2 (4) | O10—N4—Nd1 | 177.3 (4) |
| O3—Nd1—O12 | 109.9 (3) | O8—N4—Nd1 | 59.6 (2) |
| O9—Nd1—O12 | 74.0 (5) | O9—N4—Nd1 | 57.0 (2) |
| O5—Nd1—O12 | 89.9 (4) | O1—C1—H1A | 109.5 |
| O12'—Nd1—O12 | 11.0 (5) | O1—C1—H1B | 109.5 |
| O11—Nd1—O12 | 50.4 (5) | H1A—C1—H1B | 109.5 |
| O6—Nd1—O12 | 132.8 (5) | O1—C1—H1C | 109.5 |
| O2—Nd1—O8 | 119.49 (12) | H1A—C1—H1C | 109.5 |
| O3—Nd1—O8 | 174.30 (12) | H1B—C1—H1C | 109.5 |
| O9—Nd1—O8 | 50.46 (12) | C3—C2—O1 | 124.9 (5) |
| O5—Nd1—O8 | 68.53 (12) | C3—C2—C7 | 121.1 (5) |
| O12'—Nd1—O8 | 74.3 (4) | O1—C2—C7 | 114.0 (4) |
| O11—Nd1—O8 | 105.5 (5) | C2—C3—C4 | 120.1 (5) |
| O6—Nd1—O8 | 110.47 (12) | C2—C3—H3A | 120.0 |
| O12—Nd1—O8 | 65.2 (3) | C4—C3—H3A | 120.0 |
| O2—Nd1—O11' | 79.3 (5) | C5—C4—C3 | 120.5 (5) |
| O3—Nd1—O11' | 69.1 (7) | C5—C4—H4A | 119.7 |
| O9—Nd1—O11' | 68.4 (6) | C3—C4—H4A | 119.7 |
| O5—Nd1—O11' | 147.2 (5) | C4—C5—C6 | 120.2 (5) |
| O12'—Nd1—O11' | 49.6 (7) | C4—C5—H5A | 119.9 |
| O11—Nd1—O11' | 14.0 (5) | C6—C5—H5A | 119.9 |
| O6—Nd1—O11' | 143.7 (7) | C7—C6—C5 | 119.5 (5) |
| O12—Nd1—O11' | 60.0 (6) | C7—C6—C8 | 122.1 (5) |
| O8—Nd1—O11' | 105.5 (7) | C5—C6—C8 | 118.3 (5) |
| O2—Nd1—O4 | 123.43 (10) | O2—C7—C6 | 123.2 (4) |
| O3—Nd1—O4 | 61.78 (10) | O2—C7—C2 | 118.2 (4) |
| O9—Nd1—O4 | 142.31 (13) | C6—C7—C2 | 118.6 (4) |
| O5—Nd1—O4 | 70.42 (12) | N1—C8—C6 | 127.3 (5) |
| O12'—Nd1—O4 | 67.8 (7) | N1—C8—H8A | 116.3 |
| O11—Nd1—O4 | 73.1 (4) | C6—C8—H8A | 116.3 |
| O6—Nd1—O4 | 73.29 (12) | C10—C9—N1 | 113.2 (5) |
| O12—Nd1—O4 | 69.3 (5) | C10—C9—H9A | 108.9 |
| O8—Nd1—O4 | 117.08 (11) | N1—C9—H9A | 108.9 |
| O11'—Nd1—O4 | 85.8 (5) | C10—C9—H9B | 108.9 |
| O2—Nd1—O1 | 62.08 (11) | N1—C9—H9B | 108.9 |
| O3—Nd1—O1 | 114.20 (11) | H9A—C9—H9B | 107.7 |
| O9—Nd1—O1 | 71.39 (13) | C9—C10—C11 | 113.3 (5) |
| O5—Nd1—O1 | 81.61 (12) | C9—C10—H10A | 108.9 |
| O12'—Nd1—O1 | 141.4 (6) | C11—C10—H10A | 108.9 |
| O11—Nd1—O1 | 141.7 (4) | C9—C10—H10B | 108.9 |
| O6—Nd1—O1 | 71.31 (12) | C11—C10—H10B | 108.9 |
| O12—Nd1—O1 | 134.5 (4) | H10A—C10—H10B | 107.7 |
| O8—Nd1—O1 | 70.22 (13) | C12—C11—C10 | 113.1 (5) |
| O11'—Nd1—O1 | 128.0 (4) | C12—C11—H11A | 109.0 |
| O4—Nd1—O1 | 143.89 (12) | C10—C11—H11A | 109.0 |
| O2—Cu1—O3 | 80.28 (13) | C12—C11—H11B | 109.0 |
| O2—Cu1—N2 | 164.12 (16) | C10—C11—H11B | 109.0 |
| O3—Cu1—N2 | 91.55 (14) | H11A—C11—H11B | 107.8 |
| O2—Cu1—N1 | 89.51 (16) | N2—C12—C11 | 110.3 (4) |
| O3—Cu1—N1 | 162.74 (16) | N2—C12—H12A | 109.6 |
| N2—Cu1—N1 | 101.46 (17) | C11—C12—H12A | 109.6 |
| O2—Cu1—Nd1 | 39.55 (9) | N2—C12—H12B | 109.6 |
| O3—Cu1—Nd1 | 42.17 (9) | C11—C12—H12B | 109.6 |
| N2—Cu1—Nd1 | 133.71 (11) | H12A—C12—H12B | 108.1 |
| N1—Cu1—Nd1 | 124.04 (12) | N2—C13—C14 | 127.8 (4) |
| C2—O1—C1 | 117.2 (4) | N2—C13—H13A | 116.1 |
| C2—O1—Nd1 | 116.6 (3) | C14—C13—H13A | 116.1 |
| C1—O1—Nd1 | 125.9 (3) | C19—C14—C15 | 120.5 (4) |
| C7—O2—Cu1 | 125.2 (3) | C19—C14—C13 | 122.6 (4) |
| C7—O2—Nd1 | 125.0 (3) | C15—C14—C13 | 116.9 (4) |
| Cu1—O2—Nd1 | 109.44 (14) | C16—C15—C14 | 119.8 (4) |
| C19—O3—Cu1 | 129.1 (3) | C16—C15—H15A | 120.1 |
| C19—O3—Nd1 | 125.0 (3) | C14—C15—H15A | 120.1 |
| Cu1—O3—Nd1 | 105.93 (12) | C15—C16—C17 | 120.2 (4) |
| C18—O4—C20 | 116.6 (4) | C15—C16—H16A | 119.9 |
| C18—O4—Nd1 | 119.8 (2) | C17—C16—H16A | 119.9 |
| C20—O4—Nd1 | 123.6 (3) | C18—C17—C16 | 120.5 (5) |
| N3—O5—Nd1 | 96.6 (3) | C18—C17—H17A | 119.7 |
| N3—O6—Nd1 | 95.3 (3) | C16—C17—H17A | 119.7 |
| N4—O8—Nd1 | 95.4 (3) | C17—C18—O4 | 124.6 (4) |
| N4—O9—Nd1 | 97.6 (3) | C17—C18—C19 | 121.1 (4) |
| O13'—N5'—O12' | 123 (3) | O4—C18—C19 | 114.3 (4) |
| O13'—N5'—O11' | 121 (3) | O3—C19—C14 | 123.4 (4) |
| O12'—N5'—O11' | 116 (3) | O3—C19—C18 | 118.7 (4) |
| O13'—N5'—Nd1 | 179 (3) | C14—C19—C18 | 117.9 (4) |
| O12'—N5'—Nd1 | 56.6 (18) | O4—C20—H20A | 109.5 |
| O11'—N5'—Nd1 | 59.2 (18) | O4—C20—H20B | 109.5 |
| N5'—O11'—Nd1 | 95.8 (19) | H20A—C20—H20B | 109.5 |
| N5'—O12'—Nd1 | 99 (2) | O4—C20—H20C | 109.5 |
| O13—N5—O11 | 120 (2) | H20A—C20—H20C | 109.5 |
| O13—N5—O12 | 122 (2) | H20B—C20—H20C | 109.5 |
| O3—Nd1—Cu1—O2 | −160.4 (2) | O6—Nd1—N5'—O11' | −97.7 (17) |
| O9—Nd1—Cu1—O2 | 49.8 (2) | O12—Nd1—N5'—O11' | 176 (2) |
| O5—Nd1—Cu1—O2 | −100.2 (2) | O8—Nd1—N5'—O11' | 131.7 (17) |
| O12'—Nd1—Cu1—O2 | 127.1 (8) | O4—Nd1—N5'—O11' | −110.1 (17) |
| O11—Nd1—Cu1—O2 | 123.2 (5) | O1—Nd1—N5'—O11' | 74 (2) |
| O6—Nd1—Cu1—O2 | −92.6 (2) | O13'—N5'—O11'—Nd1 | 179 (2) |
| O12—Nd1—Cu1—O2 | 127.0 (6) | O12'—N5'—O11'—Nd1 | −3(3) |
| O8—Nd1—Cu1—O2 | 30.4 (2) | O2—Nd1—O11'—N5' | −168.7 (17) |
| O11'—Nd1—Cu1—O2 | 110.6 (6) | O3—Nd1—O11'—N5' | 127.5 (17) |
| O4—Nd1—Cu1—O2 | −165.54 (19) | O9—Nd1—O11'—N5' | −85.7 (17) |
| O1—Nd1—Cu1—O2 | −21.42 (19) | O5—Nd1—O11'—N5' | 23 (2) |
| O2—Nd1—Cu1—O3 | 160.4 (2) | O12'—Nd1—O11'—N5' | 2.0 (15) |
| O9—Nd1—Cu1—O3 | −149.77 (18) | O11—Nd1—O11'—N5' | 41 (4) |
| O5—Nd1—Cu1—O3 | 60.23 (19) | O6—Nd1—O11'—N5' | 120.3 (18) |
| O12'—Nd1—Cu1—O3 | −72.5 (8) | O12—Nd1—O11'—N5' | −2.3 (16) |
| O11—Nd1—Cu1—O3 | −76.4 (4) | O8—Nd1—O11'—N5' | −50.8 (17) |
| O6—Nd1—Cu1—O3 | 67.80 (17) | O4—Nd1—O11'—N5' | 66.2 (16) |
| O12—Nd1—Cu1—O3 | −72.6 (6) | O1—Nd1—O11'—N5' | −127.5 (14) |
| O8—Nd1—Cu1—O3 | −169.2 (2) | O13'—N5'—O12'—Nd1 | −179 (2) |
| O11'—Nd1—Cu1—O3 | −89.0 (6) | O11'—N5'—O12'—Nd1 | 3(3) |
| O4—Nd1—Cu1—O3 | −5.14 (17) | O2—Nd1—O12'—N5' | 10 (2) |
| O1—Nd1—Cu1—O3 | 138.99 (17) | O3—Nd1—O12'—N5' | −52.7 (18) |
| O2—Nd1—Cu1—N2 | 158.8 (2) | O9—Nd1—O12'—N5' | 72.5 (17) |
| O3—Nd1—Cu1—N2 | −1.6 (2) | O5—Nd1—O12'—N5' | −170.5 (17) |
| O9—Nd1—Cu1—N2 | −151.41 (19) | O11—Nd1—O12'—N5' | −16.0 (14) |
| O5—Nd1—Cu1—N2 | 58.6 (2) | O6—Nd1—O12'—N5' | −131.6 (16) |
| O12'—Nd1—Cu1—N2 | −74.1 (8) | O12—Nd1—O12'—N5' | 158 (7) |
| O11—Nd1—Cu1—N2 | −78.0 (5) | O8—Nd1—O12'—N5' | 125.1 (18) |
| O6—Nd1—Cu1—N2 | 66.16 (19) | O11'—Nd1—O12'—N5' | −2.0 (16) |
| O12—Nd1—Cu1—N2 | −74.2 (6) | O4—Nd1—O12'—N5' | −106.2 (17) |
| O8—Nd1—Cu1—N2 | −170.9 (2) | O1—Nd1—O12'—N5' | 101.3 (16) |
| O11'—Nd1—Cu1—N2 | −90.6 (6) | O2—Nd1—N5—O11 | 15.0 (14) |
| O4—Nd1—Cu1—N2 | −6.77 (18) | O3—Nd1—N5—O11 | −41.8 (13) |
| O1—Nd1—Cu1—N2 | 137.35 (18) | O9—Nd1—N5—O11 | 86.7 (12) |
| O2—Nd1—Cu1—N1 | −33.5 (2) | O5—Nd1—N5—O11 | −157.5 (12) |
| O3—Nd1—Cu1—N1 | 166.1 (2) | O12'—Nd1—N5—O11 | 164 (3) |
| O9—Nd1—Cu1—N1 | 16.4 (2) | O6—Nd1—N5—O11 | −104.4 (12) |
| O5—Nd1—Cu1—N1 | −133.6 (2) | O12—Nd1—N5—O11 | 166 (2) |
| O12'—Nd1—Cu1—N1 | 93.6 (8) | O8—Nd1—N5—O11 | 136.7 (13) |
| O11—Nd1—Cu1—N1 | 89.8 (5) | O11'—Nd1—N5—O11 | 16.1 (19) |
| O6—Nd1—Cu1—N1 | −126.06 (19) | O4—Nd1—N5—O11 | −102.1 (14) |
| O12—Nd1—Cu1—N1 | 93.6 (6) | O1—Nd1—N5—O11 | 93.0 (17) |
| O8—Nd1—Cu1—N1 | −3.1 (2) | O2—Nd1—N5—O12 | −150.9 (13) |
| O11'—Nd1—Cu1—N1 | 77.2 (6) | O3—Nd1—N5—O12 | 152.4 (13) |
| O4—Nd1—Cu1—N1 | 161.00 (18) | O9—Nd1—N5—O12 | −79.1 (13) |
| O1—Nd1—Cu1—N1 | −54.87 (19) | O5—Nd1—N5—O12 | 36.7 (14) |
| O2—Nd1—O1—C2 | 16.3 (3) | O12'—Nd1—N5—O12 | −2(4) |
| O3—Nd1—O1—C2 | 51.0 (3) | O11—Nd1—N5—O12 | −166 (2) |
| O9—Nd1—O1—C2 | −71.5 (3) | O6—Nd1—N5—O12 | 89.8 (14) |
| O5—Nd1—O1—C2 | 164.7 (3) | O8—Nd1—N5—O12 | −29.1 (13) |
| O12'—Nd1—O1—C2 | −100.9 (10) | O11'—Nd1—N5—O12 | −149.7 (18) |
| O11—Nd1—O1—C2 | −35.0 (9) | O4—Nd1—N5—O12 | 92.1 (14) |
| O6—Nd1—O1—C2 | 113.9 (3) | O1—Nd1—N5—O12 | −72.8 (16) |
| O12—Nd1—O1—C2 | −113.8 (7) | O13—N5—O11—Nd1 | −173.1 (14) |
| O8—Nd1—O1—C2 | −125.2 (3) | O12—N5—O11—Nd1 | 14 (2) |
| O11'—Nd1—O1—C2 | −30.7 (9) | O2—Nd1—O11—N5 | −166.6 (12) |
| O4—Nd1—O1—C2 | 125.7 (3) | O3—Nd1—O11—N5 | 134.5 (13) |
| O2—Nd1—O1—C1 | −170.0 (5) | O9—Nd1—O11—N5 | −87.6 (13) |
| O3—Nd1—O1—C1 | −135.4 (4) | O5—Nd1—O11—N5 | 29.5 (16) |
| O9—Nd1—O1—C1 | 102.1 (5) | O12'—Nd1—O11—N5 | −6.5 (14) |
| O5—Nd1—O1—C1 | −21.6 (5) | O6—Nd1—O11—N5 | 105.2 (14) |
| O12'—Nd1—O1—C1 | 72.8 (10) | O12—Nd1—O11—N5 | −8.0 (12) |
| O11—Nd1—O1—C1 | 138.6 (9) | O8—Nd1—O11—N5 | −45.3 (13) |
| O6—Nd1—O1—C1 | −72.5 (5) | O11'—Nd1—O11—N5 | −137 (6) |
| O12—Nd1—O1—C1 | 59.9 (8) | O4—Nd1—O11—N5 | 68.8 (12) |
| O8—Nd1—O1—C1 | 48.5 (4) | O1—Nd1—O11—N5 | −122.9 (10) |
| O11'—Nd1—O1—C1 | 143.0 (9) | O13—N5—O12—Nd1 | 173.4 (14) |
| O4—Nd1—O1—C1 | −60.7 (5) | O11—N5—O12—Nd1 | −14 (2) |
| O3—Cu1—O2—C7 | 160.0 (4) | O2—Nd1—O12—N5 | 40.2 (16) |
| N2—Cu1—O2—C7 | 100.1 (6) | O3—Nd1—O12—N5 | −29.4 (14) |
| N1—Cu1—O2—C7 | −34.0 (4) | O9—Nd1—O12—N5 | 94.2 (13) |
| Nd1—Cu1—O2—C7 | 173.2 (5) | O5—Nd1—O12—N5 | −146.2 (13) |
| O3—Cu1—O2—Nd1 | −13.20 (15) | O12'—Nd1—O12—N5 | 3(5) |
| N2—Cu1—O2—Nd1 | −73.1 (6) | O11—Nd1—O12—N5 | 7.7 (11) |
| N1—Cu1—O2—Nd1 | 152.82 (19) | O6—Nd1—O12—N5 | −116.9 (12) |
| O3—Nd1—O2—C7 | −161.7 (4) | O8—Nd1—O12—N5 | 147.6 (15) |
| O9—Nd1—O2—C7 | 56.7 (4) | O11'—Nd1—O12—N5 | 20.3 (12) |
| O5—Nd1—O2—C7 | −62.4 (4) | O4—Nd1—O12—N5 | −77.1 (13) |
| O12'—Nd1—O2—C7 | 117.4 (8) | O1—Nd1—O12—N5 | 135.8 (11) |
| O11—Nd1—O2—C7 | 133.4 (6) | O2—Cu1—N1—C8 | 23.6 (4) |
| O6—Nd1—O2—C7 | −87.7 (4) | O3—Cu1—N1—C8 | 77.0 (8) |
| O12—Nd1—O2—C7 | 108.9 (6) | N2—Cu1—N1—C8 | −144.8 (4) |
| O8—Nd1—O2—C7 | 24.7 (4) | Nd1—Cu1—N1—C8 | 44.1 (5) |
| O11'—Nd1—O2—C7 | 126.5 (7) | O2—Cu1—N1—C9 | −156.4 (4) |
| O4—Nd1—O2—C7 | −155.9 (3) | O3—Cu1—N1—C9 | −103.1 (6) |
| O1—Nd1—O2—C7 | −17.7 (3) | N2—Cu1—N1—C9 | 35.1 (5) |
| O3—Nd1—O2—Cu1 | 11.59 (13) | Nd1—Cu1—N1—C9 | −135.9 (4) |
| O9—Nd1—O2—Cu1 | −130.06 (19) | O2—Cu1—N2—C13 | 55.3 (8) |
| O5—Nd1—O2—Cu1 | 110.87 (18) | O3—Cu1—N2—C13 | −3.3 (4) |
| O12'—Nd1—O2—Cu1 | −69.3 (7) | N1—Cu1—N2—C13 | −171.8 (4) |
| O11—Nd1—O2—Cu1 | −53.3 (5) | Nd1—Cu1—N2—C13 | −2.2 (5) |
| O6—Nd1—O2—Cu1 | 85.59 (17) | O2—Cu1—N2—C12 | −123.6 (6) |
| O12—Nd1—O2—Cu1 | −77.8 (6) | O3—Cu1—N2—C12 | 177.8 (4) |
| O8—Nd1—O2—Cu1 | −162.10 (15) | N1—Cu1—N2—C12 | 9.2 (4) |
| O11'—Nd1—O2—Cu1 | −60.3 (6) | Nd1—Cu1—N2—C12 | 178.9 (3) |
| O4—Nd1—O2—Cu1 | 17.4 (2) | Nd1—O6—N3—O7 | 171.1 (6) |
| O1—Nd1—O2—Cu1 | 155.6 (2) | Nd1—O6—N3—O5 | −8.2 (5) |
| O2—Cu1—O3—C19 | −168.3 (4) | Nd1—O5—N3—O7 | −171.0 (6) |
| N2—Cu1—O3—C19 | −2.0 (4) | Nd1—O5—N3—O6 | 8.3 (5) |
| N1—Cu1—O3—C19 | 137.2 (5) | O2—Nd1—N3—O6 | −20.8 (3) |
| Nd1—Cu1—O3—C19 | 179.2 (4) | O3—Nd1—N3—O6 | 40.4 (3) |
| O2—Cu1—O3—Nd1 | 12.51 (14) | O9—Nd1—N3—O6 | −118.0 (3) |
| N2—Cu1—O3—Nd1 | 178.82 (15) | O5—Nd1—N3—O6 | −171.4 (5) |
| N1—Cu1—O3—Nd1 | −42.0 (6) | O12'—Nd1—N3—O6 | 144.5 (6) |
| O2—Nd1—O3—C19 | 169.5 (4) | O11—Nd1—N3—O6 | 100.8 (8) |
| O9—Nd1—O3—C19 | −141.1 (3) | O12—Nd1—N3—O6 | 153.4 (5) |
| O5—Nd1—O3—C19 | 42.9 (4) | O8—Nd1—N3—O6 | −143.0 (3) |
| O12'—Nd1—O3—C19 | −62.7 (8) | O11'—Nd1—N3—O6 | 88.5 (14) |
| O11—Nd1—O3—C19 | −86.7 (5) | O4—Nd1—N3—O6 | 97.9 (3) |
| O6—Nd1—O3—C19 | 73.9 (3) | O1—Nd1—N3—O6 | −73.6 (3) |
| O12—Nd1—O3—C19 | −56.7 (6) | O2—Nd1—N3—O5 | 150.6 (3) |
| O11'—Nd1—O3—C19 | −101.7 (6) | O3—Nd1—N3—O5 | −148.1 (3) |
| O4—Nd1—O3—C19 | −5.0 (3) | O9—Nd1—N3—O5 | 53.4 (4) |
| O1—Nd1—O3—C19 | 134.8 (3) | O12'—Nd1—N3—O5 | −44.1 (6) |
| O2—Nd1—O3—Cu1 | −11.30 (13) | O11—Nd1—N3—O5 | −87.7 (8) |
| O9—Nd1—O3—Cu1 | 38.1 (2) | O6—Nd1—N3—O5 | 171.4 (5) |
| O5—Nd1—O3—Cu1 | −137.93 (14) | O12—Nd1—N3—O5 | −35.2 (5) |
| O12'—Nd1—O3—Cu1 | 116.6 (7) | O8—Nd1—N3—O5 | 28.4 (3) |
| O11—Nd1—O3—Cu1 | 92.5 (4) | O11'—Nd1—N3—O5 | −100.0 (14) |
| O6—Nd1—O3—Cu1 | −106.93 (16) | O4—Nd1—N3—O5 | −90.7 (3) |
| O12—Nd1—O3—Cu1 | 122.5 (5) | O1—Nd1—N3—O5 | 97.9 (3) |
| O11'—Nd1—O3—Cu1 | 77.5 (5) | Nd1—O8—N4—O10 | 178.7 (5) |
| O4—Nd1—O3—Cu1 | 174.18 (19) | Nd1—O8—N4—O9 | −1.7 (5) |
| O1—Nd1—O3—Cu1 | −46.00 (18) | Nd1—O9—N4—O10 | −178.6 (5) |
| O2—Nd1—O4—C18 | 0.3 (4) | Nd1—O9—N4—O8 | 1.8 (5) |
| O3—Nd1—O4—C18 | 6.1 (3) | O2—Nd1—N4—O8 | −142.4 (3) |
| O9—Nd1—O4—C18 | 120.3 (3) | O3—Nd1—N4—O8 | 169.7 (3) |
| O5—Nd1—O4—C18 | −128.4 (3) | O9—Nd1—N4—O8 | −178.2 (5) |
| O12'—Nd1—O4—C18 | 122.3 (6) | O5—Nd1—N4—O8 | −8.0 (3) |
| O11—Nd1—O4—C18 | 80.7 (6) | O12'—Nd1—N4—O8 | 90.7 (7) |
| O6—Nd1—O4—C18 | −75.3 (3) | O11—Nd1—N4—O8 | 125.9 (5) |
| O12—Nd1—O4—C18 | 134.0 (5) | O6—Nd1—N4—O8 | −46.8 (4) |
| O8—Nd1—O4—C18 | 179.8 (3) | O12—Nd1—N4—O8 | 80.4 (5) |
| O11'—Nd1—O4—C18 | 74.6 (7) | O11'—Nd1—N4—O8 | 139.1 (6) |
| O1—Nd1—O4—C18 | −87.0 (4) | O4—Nd1—N4—O8 | 58.0 (4) |
| O2—Nd1—O4—C20 | −178.0 (4) | O1—Nd1—N4—O8 | −87.8 (3) |
| O3—Nd1—O4—C20 | −172.2 (5) | O2—Nd1—N4—O9 | 35.8 (3) |
| O9—Nd1—O4—C20 | −58.0 (5) | O3—Nd1—N4—O9 | −12.1 (5) |
| O5—Nd1—O4—C20 | 53.3 (4) | O5—Nd1—N4—O9 | 170.1 (3) |
| O12'—Nd1—O4—C20 | −56.0 (6) | O12'—Nd1—N4—O9 | −91.2 (7) |
| O11—Nd1—O4—C20 | −97.6 (6) | O11—Nd1—N4—O9 | −56.0 (5) |
| O6—Nd1—O4—C20 | 106.4 (4) | O6—Nd1—N4—O9 | 131.4 (3) |
| O12—Nd1—O4—C20 | −44.3 (5) | O12—Nd1—N4—O9 | −101.4 (5) |
| O8—Nd1—O4—C20 | 1.5 (5) | O8—Nd1—N4—O9 | 178.2 (5) |
| O11'—Nd1—O4—C20 | −103.7 (8) | O11'—Nd1—N4—O9 | −42.7 (6) |
| O1—Nd1—O4—C20 | 94.7 (4) | O4—Nd1—N4—O9 | −123.8 (3) |
| O2—Nd1—O5—N3 | −38.4 (4) | O1—Nd1—N4—O9 | 90.4 (3) |
| O3—Nd1—O5—N3 | 35.5 (3) | C1—O1—C2—C3 | −8.7 (7) |
| O9—Nd1—O5—N3 | −140.8 (3) | Nd1—O1—C2—C3 | 165.5 (4) |
| O12'—Nd1—O5—N3 | 141.8 (6) | C1—O1—C2—C7 | 170.9 (5) |
| O11—Nd1—O5—N3 | 119.5 (7) | Nd1—O1—C2—C7 | −14.9 (5) |
| O6—Nd1—O5—N3 | −4.7 (3) | O1—C2—C3—C4 | −178.8 (5) |
| O12—Nd1—O5—N3 | 147.5 (5) | C7—C2—C3—C4 | 1.6 (8) |
| O8—Nd1—O5—N3 | −149.3 (3) | C2—C3—C4—C5 | 0.0 (9) |
| O11'—Nd1—O5—N3 | 125.4 (12) | C3—C4—C5—C6 | −2.1 (9) |
| O4—Nd1—O5—N3 | 79.5 (3) | C4—C5—C6—C7 | 2.5 (8) |
| O1—Nd1—O5—N3 | −77.3 (3) | C4—C5—C6—C8 | 177.9 (5) |
| O2—Nd1—O6—N3 | 160.6 (3) | Cu1—O2—C7—C6 | 26.4 (6) |
| O3—Nd1—O6—N3 | −137.9 (3) | Nd1—O2—C7—C6 | −161.4 (4) |
| O9—Nd1—O6—N3 | 91.0 (4) | Cu1—O2—C7—C2 | −154.7 (3) |
| O5—Nd1—O6—N3 | 4.8 (3) | Nd1—O2—C7—C2 | 17.5 (6) |
| O12'—Nd1—O6—N3 | −48.9 (7) | C5—C6—C7—O2 | 178.0 (5) |
| O11—Nd1—O6—N3 | −109.7 (6) | C8—C6—C7—O2 | 2.8 (8) |
| O12—Nd1—O6—N3 | −34.7 (5) | C5—C6—C7—C2 | −0.9 (7) |
| O8—Nd1—O6—N3 | 39.9 (3) | C8—C6—C7—C2 | −176.1 (5) |
| O11'—Nd1—O6—N3 | −131.0 (8) | C3—C2—C7—O2 | 179.9 (5) |
| O4—Nd1—O6—N3 | −73.4 (3) | O1—C2—C7—O2 | 0.3 (6) |
| O1—Nd1—O6—N3 | 99.4 (3) | C3—C2—C7—C6 | −1.2 (7) |
| O2—Nd1—O8—N4 | 43.6 (3) | O1—C2—C7—C6 | 179.2 (4) |
| O9—Nd1—O8—N4 | 1.0 (3) | C9—N1—C8—C6 | 174.1 (5) |
| O5—Nd1—O8—N4 | 171.4 (3) | Cu1—N1—C8—C6 | −5.9 (8) |
| O12'—Nd1—O8—N4 | −81.7 (8) | C7—C6—C8—N1 | −13.3 (9) |
| O11—Nd1—O8—N4 | −57.2 (5) | C5—C6—C8—N1 | 171.4 (5) |
| O6—Nd1—O8—N4 | 142.9 (3) | C8—N1—C9—C10 | −166.0 (5) |
| O12—Nd1—O8—N4 | −88.3 (6) | Cu1—N1—C9—C10 | 14.1 (7) |
| O11'—Nd1—O8—N4 | −42.7 (5) | N1—C9—C10—C11 | −91.0 (6) |
| O4—Nd1—O8—N4 | −135.9 (3) | C9—C10—C11—C12 | 49.6 (7) |
| O1—Nd1—O8—N4 | 82.8 (3) | C13—N2—C12—C11 | 98.1 (5) |
| O2—Nd1—O9—N4 | −144.2 (3) | Cu1—N2—C12—C11 | −82.9 (5) |
| O3—Nd1—O9—N4 | 172.9 (3) | C10—C11—C12—N2 | 60.2 (6) |
| O5—Nd1—O9—N4 | −11.2 (4) | C12—N2—C13—C14 | −175.7 (4) |
| O12'—Nd1—O9—N4 | 81.2 (5) | Cu1—N2—C13—C14 | 5.4 (7) |
| O11—Nd1—O9—N4 | 121.8 (5) | N2—C13—C14—C19 | −1.6 (7) |
| O6—Nd1—O9—N4 | −71.9 (4) | N2—C13—C14—C15 | 176.8 (5) |
| O12—Nd1—O9—N4 | 69.8 (4) | C19—C14—C15—C16 | 0.7 (7) |
| O8—Nd1—O9—N4 | −1.0 (3) | C13—C14—C15—C16 | −177.8 (4) |
| O11'—Nd1—O9—N4 | 133.3 (7) | C14—C15—C16—C17 | 0.6 (8) |
| O4—Nd1—O9—N4 | 83.1 (4) | C15—C16—C17—C18 | −1.0 (8) |
| O1—Nd1—O9—N4 | −80.3 (3) | C16—C17—C18—O4 | 179.8 (5) |
| O2—Nd1—N5'—O12' | −172.2 (17) | C16—C17—C18—C19 | 0.1 (8) |
| O3—Nd1—N5'—O12' | 128.3 (18) | C20—O4—C18—C17 | −8.2 (7) |
| O9—Nd1—N5'—O12' | −99.4 (18) | Nd1—O4—C18—C17 | 173.4 (4) |
| O5—Nd1—N5'—O12' | 11 (2) | C20—O4—C18—C19 | 171.5 (5) |
| O11—Nd1—N5'—O12' | 143 (3) | Nd1—O4—C18—C19 | −6.9 (5) |
| O6—Nd1—N5'—O12' | 79 (2) | Cu1—O3—C19—C14 | 5.6 (6) |
| O12—Nd1—N5'—O12' | −7(2) | Nd1—O3—C19—C14 | −175.3 (3) |
| O8—Nd1—N5'—O12' | −52.0 (18) | Cu1—O3—C19—C18 | −175.4 (3) |
| O11'—Nd1—N5'—O12' | 176 (3) | Nd1—O3—C19—C18 | 3.6 (5) |
| O4—Nd1—N5'—O12' | 66.2 (17) | C15—C14—C19—O3 | 177.4 (4) |
| O1—Nd1—N5'—O12' | −109.3 (18) | C13—C14—C19—O3 | −4.2 (7) |
| O2—Nd1—N5'—O11' | 11.5 (18) | C15—C14—C19—C18 | −1.5 (6) |
| O3—Nd1—N5'—O11' | −48.0 (17) | C13—C14—C19—C18 | 176.9 (4) |
| O9—Nd1—N5'—O11' | 84.3 (16) | C17—C18—C19—O3 | −177.9 (4) |
| O5—Nd1—N5'—O11' | −165.1 (15) | O4—C18—C19—O3 | 2.4 (6) |
| O12'—Nd1—N5'—O11' | −176 (3) | C17—C18—C19—C14 | 1.2 (7) |
| O11—Nd1—N5'—O11' | −33 (2) | O4—C18—C19—C14 | −178.5 (4) |