| S1—O4 | 1.419 (2) | C4—C8 | 1.529 (3) |
| S1—O5 | 1.4411 (18) | C4—C9 | 1.530 (3) |
| S1—O3 | 1.4476 (18) | C4—C5 | 1.530 (3) |
| S1—O2 | 1.555 (2) | C5—H5A | 0.9700 |
| O1—C1 | 1.443 (3) | C5—H5B | 0.9700 |
| O1—H1 | 0.81 (2) | C6—H6A | 0.9600 |
| O2—H2 | 0.83 (2) | C6—H6B | 0.9600 |
| N1—C3 | 1.528 (3) | C6—H6C | 0.9600 |
| N1—C4 | 1.529 (3) | C7—H7A | 0.9600 |
| N1—H1A | 0.86 (2) | C7—H7B | 0.9600 |
| N1—H1B | 0.86 (2) | C7—H7C | 0.9600 |
| C1—C5 | 1.515 (3) | C8—H8A | 0.9600 |
| C1—C2 | 1.519 (3) | C8—H8B | 0.9600 |
| C1—H1C | 0.9800 | C8—H8C | 0.9600 |
| C2—C3 | 1.528 (3) | C9—H9A | 0.9600 |
| C2—H2A | 0.9700 | C9—H9B | 0.9600 |
| C2—H2B | 0.9700 | C9—H9C | 0.9600 |
| C3—C7 | 1.529 (3) | O6—H6D | 0.82 (2) |
| C3—C6 | 1.531 (3) | O6—H6E | 0.81 (2) |
| O4—S1—O5 | 114.56 (15) | N1—C4—C5 | 107.47 (17) |
| O4—S1—O3 | 112.68 (13) | C8—C4—C5 | 111.10 (19) |
| O5—S1—O3 | 111.13 (12) | C9—C4—C5 | 112.8 (2) |
| O4—S1—O2 | 107.34 (14) | C1—C5—C4 | 112.66 (18) |
| O5—S1—O2 | 103.30 (11) | C1—C5—H5A | 109.1 |
| O3—S1—O2 | 107.04 (12) | C4—C5—H5A | 109.1 |
| C1—O1—H1 | 106 (3) | C1—C5—H5B | 109.1 |
| S1—O2—H2 | 114 (3) | C4—C5—H5B | 109.1 |
| C3—N1—C4 | 120.80 (17) | H5A—C5—H5B | 107.8 |
| C3—N1—H1A | 107.9 (16) | C3—C6—H6A | 109.5 |
| C4—N1—H1A | 107.7 (16) | C3—C6—H6B | 109.5 |
| C3—N1—H1B | 105.5 (16) | H6A—C6—H6B | 109.5 |
| C4—N1—H1B | 105.6 (16) | C3—C6—H6C | 109.5 |
| H1A—N1—H1B | 109 (2) | H6A—C6—H6C | 109.5 |
| O1—C1—C5 | 108.04 (18) | H6B—C6—H6C | 109.5 |
| O1—C1—C2 | 109.83 (19) | C3—C7—H7A | 109.5 |
| C5—C1—C2 | 110.27 (19) | C3—C7—H7B | 109.5 |
| O1—C1—H1C | 109.6 | H7A—C7—H7B | 109.5 |
| C5—C1—H1C | 109.6 | C3—C7—H7C | 109.5 |
| C2—C1—H1C | 109.6 | H7A—C7—H7C | 109.5 |
| C1—C2—C3 | 113.44 (18) | H7B—C7—H7C | 109.5 |
| C1—C2—H2A | 108.9 | C4—C8—H8A | 109.5 |
| C3—C2—H2A | 108.9 | C4—C8—H8B | 109.5 |
| C1—C2—H2B | 108.9 | H8A—C8—H8B | 109.5 |
| C3—C2—H2B | 108.9 | C4—C8—H8C | 109.5 |
| H2A—C2—H2B | 107.7 | H8A—C8—H8C | 109.5 |
| N1—C3—C2 | 107.19 (16) | H8B—C8—H8C | 109.5 |
| N1—C3—C7 | 105.65 (18) | C4—C9—H9A | 109.5 |
| C2—C3—C7 | 111.28 (19) | C4—C9—H9B | 109.5 |
| N1—C3—C6 | 110.75 (18) | H9A—C9—H9B | 109.5 |
| C2—C3—C6 | 112.80 (19) | C4—C9—H9C | 109.5 |
| C7—C3—C6 | 108.92 (19) | H9A—C9—H9C | 109.5 |
| N1—C4—C8 | 105.19 (18) | H9B—C9—H9C | 109.5 |
| N1—C4—C9 | 111.11 (19) | H6D—O6—H6E | 111 (4) |
| C8—C4—C9 | 108.9 (2) | ||
| O1—C1—C2—C3 | 178.44 (18) | C3—N1—C4—C8 | −167.05 (19) |
| C5—C1—C2—C3 | 59.5 (2) | C3—N1—C4—C9 | 75.2 (2) |
| C4—N1—C3—C2 | 47.9 (2) | C3—N1—C4—C5 | −48.6 (2) |
| C4—N1—C3—C7 | 166.70 (19) | O1—C1—C5—C4 | −179.71 (19) |
| C4—N1—C3—C6 | −75.5 (2) | C2—C1—C5—C4 | −59.7 (3) |
| C1—C2—C3—N1 | −50.8 (2) | N1—C4—C5—C1 | 51.7 (3) |
| C1—C2—C3—C7 | −165.8 (2) | C8—C4—C5—C1 | 166.3 (2) |
| C1—C2—C3—C6 | 71.4 (2) | C9—C4—C5—C1 | −71.1 (3) |