| Literature DB >> 21580501 |
Iuliia O Shatrava, Tatyana Yu Sliva, Vladimir A Ovchynnikov, Irina S Konovalova, Vladimir M Amirkhanov.
Abstract
The cubic crystal structure of the title compound, [NaNd(C(14)H(21)N(3)O(5)PS)(4)](n), is composed of one-dimensional polymeric chains propagating in [100], built up from [Nd(C(14)H(21)N(3)O(5)PS)(4)](-) anions and sodium cations functioning as linkers. In the complex anion, the Nd(3+) ion has an eightfold coordination environment formed by the sulfonyl and phosphoryl O atoms of four bidentate chelating N-(dimorpholinophosphor-yl)benzene-sulfonamidate ligands: the resulting NdO(8) polyhedron can be described as inter-mediate between dodeca-hedral and square anti-prismatic. The sodium ion adopts an NaO(4) tetra-hedral geometry arising from four monodentate benzene-sulfonamidate ligands. The resulting crystal structure is unusual because it contains substantial voids (800 Å(3) per unit cell), within which there is no evidence of included solvent.Entities:
Year: 2010 PMID: 21580501 PMCID: PMC2983777 DOI: 10.1107/S1600536810008214
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [NaNd(C14H21N3O5PS)4] | Mo |
| Cell parameters from 68542 reflections | |
| Cubic, | θ = 2.8–32.1° |
| µ = 0.90 mm−1 | |
| Block, light violet | |
| 0.60 × 0.40 × 0.30 mm | |
| Oxford Diffraction KM-4 Xcalibur diffractometer with a Sapphire3 detector | 5883 independent reflections |
| Radiation source: fine-focus sealed tube | 3713 reflections with |
| graphite | |
| Detector resolution: 16.1827 pixels mm-1 | θmax = 30.0°, θmin = 2.8° |
| ω scans | |
| Absorption correction: multi-scan ( | |
| 66051 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 = 0.053 | |
| 5883 reflections | Δρmax = 1.17 e Å−3 |
| 174 parameters | Δρmin = −0.74 e Å−3 |
| 1 restraint | Absolute structure: Flack (1983), 2727 Friedel pairs |
| Primary atom site location: structure-invariant direct methods | Flack parameter: 0.05 (3) |
| Experimental. CrysAlis RED, (Oxford Diffraction Ltd., 2007) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. |
| Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
| Refinement. Refinement of |
| Nd1 | 0.2500 | 0.0000 | 0.5000 | 0.03890 (11) | |
| Na1 | 0.5000 | 0.0000 | 0.5000 | 0.0591 (11) | |
| P1 | 0.34264 (7) | −0.11150 (8) | 0.56551 (8) | 0.0580 (4) | |
| S1 | 0.38783 (6) | −0.07841 (7) | 0.45680 (7) | 0.0542 (4) | |
| C1 | 0.3831 (3) | −0.1414 (3) | 0.4113 (3) | 0.0561 (17) | |
| N1 | 0.3939 (2) | −0.1001 (3) | 0.5188 (2) | 0.0784 (19) | |
| N2 | 0.3754 (2) | −0.1023 (3) | 0.6282 (3) | 0.0907 (14) | |
| N3 | 0.3220 (3) | −0.1790 (3) | 0.5648 (4) | 0.126 (2) | |
| O2 | 0.33520 (14) | −0.04482 (17) | 0.44606 (16) | 0.0497 (10) | |
| O3 | 0.44068 (16) | −0.0500 (2) | 0.4378 (2) | 0.0719 (13) | |
| O1 | 0.28838 (15) | −0.07562 (17) | 0.55946 (17) | 0.0526 (11) | |
| O4 | 0.4251 (3) | −0.0792 (4) | 0.7367 (2) | 0.134 (2) | |
| O5 | 0.2927 (4) | −0.2972 (3) | 0.5510 (4) | 0.163 (3) | |
| C2 | 0.4310 (3) | −0.1778 (3) | 0.4091 (3) | 0.076 (2) | |
| H2A | 0.4651 | −0.1699 | 0.4296 | 0.092* | |
| C3 | 0.4246 (4) | −0.2277 (3) | 0.3737 (4) | 0.108 (3) | |
| H3A | 0.4562 | −0.2528 | 0.3701 | 0.129* | |
| C4 | 0.3754 (5) | −0.2411 (4) | 0.3447 (4) | 0.112 (3) | |
| H4A | 0.3734 | −0.2741 | 0.3212 | 0.135* | |
| C5 | 0.3306 (5) | −0.2067 (4) | 0.3505 (4) | 0.111 (3) | |
| H5A | 0.2960 | −0.2167 | 0.3321 | 0.133* | |
| C6 | 0.3325 (4) | −0.1552 (3) | 0.3833 (3) | 0.079 (2) | |
| H6A | 0.3000 | −0.1311 | 0.3859 | 0.095* | |
| C7 | 0.4355 (3) | −0.0977 (4) | 0.6373 (3) | 0.0907 (14) | |
| H7A | 0.4509 | −0.1370 | 0.6396 | 0.109* | |
| H7B | 0.4521 | −0.0800 | 0.6026 | 0.109* | |
| C8 | 0.4565 (5) | −0.0675 (5) | 0.6845 (4) | 0.134 (2) | |
| H8A | 0.4546 | −0.0260 | 0.6763 | 0.161* | |
| H8B | 0.4972 | −0.0776 | 0.6903 | 0.161* | |
| C9 | 0.3442 (3) | −0.1124 (4) | 0.6830 (3) | 0.0907 (14) | |
| H9A | 0.3032 | −0.1036 | 0.6778 | 0.109* | |
| H9B | 0.3477 | −0.1531 | 0.6939 | 0.109* | |
| C10 | 0.3674 (4) | −0.0770 (6) | 0.7282 (4) | 0.134 (2) | |
| H10A | 0.3569 | −0.0368 | 0.7201 | 0.161* | |
| H10B | 0.3484 | −0.0878 | 0.7644 | 0.161* | |
| C12 | 0.2463 (4) | −0.2556 (2) | 0.5500 (5) | 0.163 (3) | |
| H12A | 0.2280 | −0.2535 | 0.5880 | 0.196* | |
| H12B | 0.2171 | −0.2673 | 0.5218 | 0.196* | |
| C11 | 0.2713 (3) | −0.1964 (2) | 0.5334 (5) | 0.126 (2) | |
| H11A | 0.2807 | −0.1969 | 0.4922 | 0.151* | |
| H11B | 0.2414 | −0.1671 | 0.5393 | 0.151* | |
| C13 | 0.3666 (4) | −0.2253 (3) | 0.5699 (5) | 0.126 (2) | |
| H13A | 0.3873 | −0.2288 | 0.5332 | 0.151* | |
| H13B | 0.3946 | −0.2145 | 0.5997 | 0.151* | |
| C14 | 0.3422 (5) | −0.2777 (4) | 0.5838 (6) | 0.163 (3) | |
| H14A | 0.3308 | −0.2761 | 0.6245 | 0.196* | |
| H14B | 0.3723 | −0.3072 | 0.5805 | 0.196* |
| Nd1 | 0.02596 (19) | 0.04536 (15) | 0.04536 (15) | 0.000 | 0.000 | 0.000 |
| Na1 | 0.0368 (17) | 0.078 (3) | 0.063 (2) | 0.000 | 0.000 | 0.000 |
| P1 | 0.0465 (8) | 0.0611 (9) | 0.0663 (10) | 0.0090 (8) | −0.0157 (8) | −0.0007 (8) |
| S1 | 0.0324 (6) | 0.0678 (9) | 0.0624 (9) | 0.0034 (7) | −0.0001 (7) | −0.0180 (8) |
| C1 | 0.049 (3) | 0.065 (4) | 0.055 (3) | 0.001 (3) | 0.016 (3) | −0.010 (3) |
| N1 | 0.054 (3) | 0.113 (4) | 0.069 (4) | 0.041 (3) | −0.004 (3) | −0.008 (3) |
| N2 | 0.052 (2) | 0.154 (4) | 0.066 (2) | −0.005 (3) | −0.0010 (19) | 0.018 (3) |
| N3 | 0.091 (3) | 0.067 (3) | 0.219 (6) | 0.007 (2) | −0.064 (3) | 0.010 (3) |
| O2 | 0.0341 (17) | 0.059 (2) | 0.056 (2) | −0.0013 (18) | 0.0033 (18) | −0.009 (2) |
| O3 | 0.0338 (19) | 0.085 (3) | 0.097 (3) | 0.001 (2) | 0.007 (2) | −0.027 (3) |
| O1 | 0.0365 (18) | 0.060 (2) | 0.061 (2) | 0.0045 (18) | 0.0008 (18) | 0.017 (2) |
| O4 | 0.119 (4) | 0.212 (5) | 0.071 (3) | −0.029 (4) | −0.014 (3) | 0.000 (3) |
| O5 | 0.194 (6) | 0.080 (3) | 0.216 (6) | −0.016 (3) | −0.067 (5) | 0.034 (4) |
| C2 | 0.073 (4) | 0.067 (4) | 0.090 (5) | 0.009 (4) | 0.023 (4) | −0.002 (4) |
| C3 | 0.143 (7) | 0.073 (5) | 0.106 (6) | 0.021 (5) | 0.074 (5) | −0.001 (4) |
| C4 | 0.159 (9) | 0.077 (5) | 0.100 (6) | −0.018 (6) | 0.034 (6) | −0.031 (5) |
| C5 | 0.137 (8) | 0.106 (6) | 0.091 (6) | −0.034 (6) | 0.003 (6) | −0.041 (5) |
| C6 | 0.086 (5) | 0.082 (5) | 0.070 (4) | −0.009 (4) | −0.007 (4) | −0.009 (4) |
| C7 | 0.052 (2) | 0.154 (4) | 0.066 (2) | −0.005 (3) | −0.0010 (19) | 0.018 (3) |
| C8 | 0.119 (4) | 0.212 (5) | 0.071 (3) | −0.029 (4) | −0.014 (3) | 0.000 (3) |
| C9 | 0.052 (2) | 0.154 (4) | 0.066 (2) | −0.005 (3) | −0.0010 (19) | 0.018 (3) |
| C10 | 0.119 (4) | 0.212 (5) | 0.071 (3) | −0.029 (4) | −0.014 (3) | 0.000 (3) |
| C12 | 0.194 (6) | 0.080 (3) | 0.216 (6) | −0.016 (3) | −0.067 (5) | 0.034 (4) |
| C11 | 0.091 (3) | 0.067 (3) | 0.219 (6) | 0.007 (2) | −0.064 (3) | 0.010 (3) |
| C13 | 0.091 (3) | 0.067 (3) | 0.219 (6) | 0.007 (2) | −0.064 (3) | 0.010 (3) |
| C14 | 0.194 (6) | 0.080 (3) | 0.216 (6) | −0.016 (3) | −0.067 (5) | 0.034 (4) |
| Nd1—O1i | 2.376 (4) | O5—C12 | 1.429 (10) |
| Nd1—O1ii | 2.376 (4) | O5—C14 | 1.434 (13) |
| Nd1—O1 | 2.376 (4) | C2—C3 | 1.413 (10) |
| Nd1—O1iii | 2.376 (4) | C2—H2A | 0.9300 |
| Nd1—O2ii | 2.532 (4) | C3—C4 | 1.345 (13) |
| Nd1—O2 | 2.532 (4) | C3—H3A | 0.9300 |
| Nd1—O2iii | 2.532 (4) | C4—C5 | 1.302 (13) |
| Nd1—O2i | 2.532 (4) | C4—H4A | 0.9300 |
| Na1—O3 | 2.282 (4) | C5—C6 | 1.400 (11) |
| Na1—O3iv | 2.282 (4) | C5—H5A | 0.9300 |
| Na1—O3v | 2.282 (4) | C6—H6A | 0.9300 |
| Na1—O3ii | 2.282 (4) | C7—C8 | 1.374 (12) |
| Na1—S1 | 3.2926 (16) | C7—H7A | 0.9700 |
| Na1—S1v | 3.2926 (16) | C7—H7B | 0.9700 |
| Na1—S1iv | 3.2926 (16) | C8—H8A | 0.9700 |
| Na1—S1ii | 3.2926 (16) | C8—H8B | 0.9700 |
| P1—O1 | 1.499 (4) | C9—C10 | 1.421 (13) |
| P1—N1 | 1.613 (6) | C9—H9A | 0.9700 |
| P1—N3 | 1.619 (7) | C9—H9B | 0.9700 |
| P1—N2 | 1.637 (7) | C10—H10A | 0.9700 |
| S1—O3 | 1.444 (4) | C10—H10B | 0.9700 |
| S1—O2 | 1.453 (4) | C12—C11 | 1.524 (5) |
| S1—N1 | 1.513 (6) | C12—H12A | 0.9700 |
| S1—C1 | 1.787 (6) | C12—H12B | 0.9700 |
| C1—C6 | 1.365 (10) | C11—H11A | 0.9700 |
| C1—C2 | 1.380 (9) | C11—H11B | 0.9700 |
| N2—C7 | 1.400 (9) | C13—C14 | 1.364 (12) |
| N2—C9 | 1.465 (9) | C13—H13A | 0.9700 |
| N3—C11 | 1.425 (11) | C13—H13B | 0.9700 |
| N3—C13 | 1.478 (10) | C14—H14A | 0.9700 |
| O4—C10 | 1.340 (11) | C14—H14B | 0.9700 |
| O4—C8 | 1.424 (10) | ||
| O1i—Nd1—O1ii | 97.89 (6) | S1—N1—P1 | 127.6 (3) |
| O1i—Nd1—O1 | 97.89 (6) | C7—N2—C9 | 111.4 (6) |
| O1ii—Nd1—O1 | 136.50 (17) | C7—N2—P1 | 126.4 (5) |
| O1i—Nd1—O1iii | 136.50 (17) | C9—N2—P1 | 120.7 (5) |
| O1ii—Nd1—O1iii | 97.89 (6) | C11—N3—C13 | 113.8 (7) |
| O1—Nd1—O1iii | 97.89 (6) | C11—N3—P1 | 120.7 (5) |
| O1i—Nd1—O2ii | 151.18 (12) | C13—N3—P1 | 119.0 (6) |
| O1ii—Nd1—O2ii | 72.42 (12) | S1—O2—Nd1 | 140.7 (2) |
| O1—Nd1—O2ii | 74.32 (13) | S1—O3—Na1 | 122.6 (3) |
| O1iii—Nd1—O2ii | 72.30 (12) | P1—O1—Nd1 | 139.6 (2) |
| O1i—Nd1—O2 | 72.30 (12) | C10—O4—C8 | 111.7 (7) |
| O1ii—Nd1—O2 | 74.32 (13) | C12—O5—C14 | 112.9 (8) |
| O1—Nd1—O2 | 72.42 (12) | C1—C2—C3 | 115.3 (7) |
| O1iii—Nd1—O2 | 151.18 (12) | C1—C2—H2A | 122.4 |
| O2ii—Nd1—O2 | 78.92 (16) | C3—C2—H2A | 122.4 |
| O1i—Nd1—O2iii | 74.32 (13) | C4—C3—C2 | 123.9 (8) |
| O1ii—Nd1—O2iii | 151.18 (12) | C4—C3—H3A | 118.1 |
| O1—Nd1—O2iii | 72.30 (12) | C2—C3—H3A | 118.1 |
| O1iii—Nd1—O2iii | 72.42 (12) | C5—C4—C3 | 118.2 (9) |
| O2ii—Nd1—O2iii | 126.59 (10) | C5—C4—H4A | 120.9 |
| O2—Nd1—O2iii | 126.59 (10) | C3—C4—H4A | 120.9 |
| O1i—Nd1—O2i | 72.42 (12) | C4—C5—C6 | 122.8 (9) |
| O1ii—Nd1—O2i | 72.30 (12) | C4—C5—H5A | 118.6 |
| O1—Nd1—O2i | 151.18 (12) | C6—C5—H5A | 118.6 |
| O1iii—Nd1—O2i | 74.32 (13) | C1—C6—C5 | 118.3 (8) |
| O2ii—Nd1—O2i | 126.59 (10) | C1—C6—H6A | 120.8 |
| O2—Nd1—O2i | 126.59 (10) | C5—C6—H6A | 120.8 |
| O2iii—Nd1—O2i | 78.92 (16) | C8—C7—N2 | 120.1 (8) |
| O3—Na1—O3iv | 119.6 (2) | C8—C7—H7A | 107.3 |
| O3—Na1—O3v | 102.5 (2) | N2—C7—H7A | 107.3 |
| O3iv—Na1—O3v | 106.8 (2) | C8—C7—H7B | 107.3 |
| O3—Na1—O3ii | 106.8 (2) | N2—C7—H7B | 107.3 |
| O3iv—Na1—O3ii | 102.5 (2) | H7A—C7—H7B | 106.9 |
| O3v—Na1—O3ii | 119.6 (2) | C7—C8—O4 | 113.0 (9) |
| O3—Na1—S1 | 21.69 (11) | C7—C8—H8A | 109.0 |
| O3iv—Na1—S1 | 112.32 (11) | O4—C8—H8A | 109.0 |
| O3v—Na1—S1 | 123.55 (12) | C7—C8—H8B | 109.0 |
| O3ii—Na1—S1 | 89.82 (10) | O4—C8—H8B | 109.0 |
| O3—Na1—S1v | 123.55 (12) | H8A—C8—H8B | 107.8 |
| O3iv—Na1—S1v | 89.82 (10) | C10—C9—N2 | 110.7 (7) |
| O3v—Na1—S1v | 21.69 (11) | C10—C9—H9A | 109.5 |
| O3ii—Na1—S1v | 112.32 (11) | N2—C9—H9A | 109.5 |
| S1—Na1—S1v | 144.97 (6) | C10—C9—H9B | 109.5 |
| O3—Na1—S1iv | 112.32 (11) | N2—C9—H9B | 109.5 |
| O3iv—Na1—S1iv | 21.69 (11) | H9A—C9—H9B | 108.1 |
| O3v—Na1—S1iv | 89.82 (10) | O4—C10—C9 | 117.0 (9) |
| O3ii—Na1—S1iv | 123.55 (12) | O4—C10—H10A | 108.1 |
| S1—Na1—S1iv | 113.77 (6) | C9—C10—H10A | 108.1 |
| S1v—Na1—S1iv | 77.18 (5) | O4—C10—H10B | 108.1 |
| O3—Na1—S1ii | 89.82 (10) | C9—C10—H10B | 108.1 |
| O3iv—Na1—S1ii | 123.55 (12) | H10A—C10—H10B | 107.3 |
| O3v—Na1—S1ii | 112.32 (11) | O5—C12—C11 | 108.6 (7) |
| O3ii—Na1—S1ii | 21.69 (11) | O5—C12—H12A | 110.0 |
| S1—Na1—S1ii | 77.18 (5) | C11—C12—H12A | 110.0 |
| S1v—Na1—S1ii | 113.77 (6) | O5—C12—H12B | 110.0 |
| S1iv—Na1—S1ii | 144.97 (6) | C11—C12—H12B | 110.0 |
| O1—P1—N1 | 117.1 (3) | H12A—C12—H12B | 108.3 |
| O1—P1—N3 | 106.4 (3) | N3—C11—C12 | 115.6 (7) |
| N1—P1—N3 | 111.2 (4) | N3—C11—H11A | 108.4 |
| O1—P1—N2 | 113.1 (3) | C12—C11—H11A | 108.4 |
| N1—P1—N2 | 103.2 (3) | N3—C11—H11B | 108.4 |
| N3—P1—N2 | 105.4 (4) | C12—C11—H11B | 108.4 |
| O3—S1—O2 | 114.0 (3) | H11A—C11—H11B | 107.5 |
| O3—S1—N1 | 110.8 (3) | C14—C13—N3 | 111.6 (8) |
| O2—S1—N1 | 114.2 (3) | C14—C13—H13A | 109.3 |
| O3—S1—C1 | 103.8 (3) | N3—C13—H13A | 109.3 |
| O2—S1—C1 | 106.2 (3) | C14—C13—H13B | 109.3 |
| N1—S1—C1 | 106.8 (3) | N3—C13—H13B | 109.3 |
| O3—S1—Na1 | 35.73 (19) | H13A—C13—H13B | 108.0 |
| O2—S1—Na1 | 114.25 (17) | C13—C14—O5 | 118.5 (10) |
| N1—S1—Na1 | 79.9 (2) | C13—C14—H14A | 107.7 |
| C1—S1—Na1 | 131.7 (2) | O5—C14—H14A | 107.7 |
| C6—C1—C2 | 121.4 (6) | C13—C14—H14B | 107.7 |
| C6—C1—S1 | 121.0 (5) | O5—C14—H14B | 107.7 |
| C2—C1—S1 | 117.5 (5) | H14A—C14—H14B | 107.1 |
| O3iv—Na1—S1—O3 | −114.4 (4) | O3—S1—O2—Nd1 | −121.0 (4) |
| O3v—Na1—S1—O3 | 15.9 (4) | N1—S1—O2—Nd1 | 7.8 (5) |
| O3ii—Na1—S1—O3 | 142.1 (2) | C1—S1—O2—Nd1 | 125.3 (4) |
| S1v—Na1—S1—O3 | 11.0 (3) | Na1—S1—O2—Nd1 | −81.7 (3) |
| S1iv—Na1—S1—O3 | −90.9 (3) | O1i—Nd1—O2—S1 | −126.9 (4) |
| S1ii—Na1—S1—O3 | 124.3 (3) | O1ii—Nd1—O2—S1 | 129.2 (4) |
| O3—Na1—S1—O2 | −98.0 (4) | O1—Nd1—O2—S1 | −22.3 (3) |
| O3iv—Na1—S1—O2 | 147.6 (2) | O1iii—Nd1—O2—S1 | 51.6 (5) |
| O3v—Na1—S1—O2 | −82.1 (2) | O2ii—Nd1—O2—S1 | 54.6 (3) |
| O3ii—Na1—S1—O2 | 44.1 (2) | O2iii—Nd1—O2—S1 | −73.1 (3) |
| S1v—Na1—S1—O2 | −86.97 (18) | O2i—Nd1—O2—S1 | −177.7 (3) |
| S1iv—Na1—S1—O2 | 171.15 (19) | O2—S1—O3—Na1 | 98.6 (3) |
| S1ii—Na1—S1—O2 | 26.33 (17) | N1—S1—O3—Na1 | −31.9 (4) |
| O3—Na1—S1—N1 | 149.9 (4) | C1—S1—O3—Na1 | −146.2 (3) |
| O3iv—Na1—S1—N1 | 35.5 (2) | O3iv—Na1—O3—S1 | 75.7 (3) |
| O3v—Na1—S1—N1 | 165.7 (2) | O3v—Na1—O3—S1 | −166.5 (4) |
| O3ii—Na1—S1—N1 | −68.0 (2) | O3ii—Na1—O3—S1 | −39.9 (2) |
| S1v—Na1—S1—N1 | 160.9 (2) | S1v—Na1—O3—S1 | −172.4 (2) |
| S1iv—Na1—S1—N1 | 59.0 (2) | S1iv—Na1—O3—S1 | 98.4 (3) |
| S1ii—Na1—S1—N1 | −85.8 (2) | S1ii—Na1—O3—S1 | −53.7 (3) |
| O3—Na1—S1—C1 | 46.3 (4) | N1—P1—O1—Nd1 | −1.5 (5) |
| O3iv—Na1—S1—C1 | −68.1 (3) | N3—P1—O1—Nd1 | −126.5 (5) |
| O3v—Na1—S1—C1 | 62.2 (3) | N2—P1—O1—Nd1 | 118.3 (4) |
| O3ii—Na1—S1—C1 | −171.6 (3) | O1i—Nd1—O1—P1 | 86.0 (3) |
| S1v—Na1—S1—C1 | 57.3 (3) | O1ii—Nd1—O1—P1 | −24.3 (3) |
| S1iv—Na1—S1—C1 | −44.6 (3) | O1iii—Nd1—O1—P1 | −134.7 (4) |
| S1ii—Na1—S1—C1 | 170.6 (3) | O2ii—Nd1—O1—P1 | −65.6 (4) |
| O3—S1—C1—C6 | −131.8 (6) | O2—Nd1—O1—P1 | 17.5 (4) |
| O2—S1—C1—C6 | −11.2 (6) | O2iii—Nd1—O1—P1 | 156.7 (4) |
| N1—S1—C1—C6 | 111.1 (6) | O2i—Nd1—O1—P1 | 153.6 (3) |
| Na1—S1—C1—C6 | −157.6 (4) | C6—C1—C2—C3 | 3.4 (10) |
| O3—S1—C1—C2 | 53.1 (6) | S1—C1—C2—C3 | 178.5 (5) |
| O2—S1—C1—C2 | 173.7 (5) | C1—C2—C3—C4 | −1.8 (12) |
| N1—S1—C1—C2 | −64.0 (6) | C2—C3—C4—C5 | −1.3 (14) |
| Na1—S1—C1—C2 | 27.4 (7) | C3—C4—C5—C6 | 2.9 (14) |
| O3—S1—N1—P1 | 154.8 (4) | C2—C1—C6—C5 | −2.0 (11) |
| O2—S1—N1—P1 | 24.4 (6) | S1—C1—C6—C5 | −176.9 (6) |
| C1—S1—N1—P1 | −92.7 (5) | C4—C5—C6—C1 | −1.4 (13) |
| Na1—S1—N1—P1 | 136.6 (5) | C9—N2—C7—C8 | −40.8 (12) |
| O1—P1—N1—S1 | −28.1 (6) | P1—N2—C7—C8 | 153.3 (8) |
| N3—P1—N1—S1 | 94.4 (6) | N2—C7—C8—O4 | 42.8 (13) |
| N2—P1—N1—S1 | −153.0 (5) | C10—O4—C8—C7 | −46.7 (13) |
| O1—P1—N2—C7 | −139.0 (7) | C7—N2—C9—C10 | 41.8 (11) |
| N1—P1—N2—C7 | −11.5 (8) | P1—N2—C9—C10 | −151.4 (7) |
| N3—P1—N2—C7 | 105.2 (8) | C8—O4—C10—C9 | 54.2 (13) |
| O1—P1—N2—C9 | 56.4 (8) | N2—C9—C10—O4 | −52.2 (12) |
| N1—P1—N2—C9 | −176.2 (7) | C14—O5—C12—C11 | 49.2 (12) |
| N3—P1—N2—C9 | −59.4 (8) | C13—N3—C11—C12 | 45.9 (12) |
| O1—P1—N3—C11 | 29.9 (9) | P1—N3—C11—C12 | −162.7 (7) |
| N1—P1—N3—C11 | −98.7 (8) | O5—C12—C11—N3 | −48.4 (12) |
| N2—P1—N3—C11 | 150.2 (8) | C11—N3—C13—C14 | −44.0 (14) |
| O1—P1—N3—C13 | 179.8 (8) | P1—N3—C13—C14 | 164.1 (9) |
| N1—P1—N3—C13 | 51.3 (9) | N3—C13—C14—O5 | 48.7 (16) |
| N2—P1—N3—C13 | −59.9 (9) | C12—O5—C14—C13 | −54.3 (15) |
Selected bond lengths (Å)
| Nd1—O1 | 2.376 (4) |
| Nd1—O2 | 2.532 (4) |
| Na1—O3 | 2.282 (4) |