| S1—O1 | 1.4831 (12) | C6—C7 | 1.396 (2) |
| S1—C1 | 1.7806 (13) | C8—C9 | 1.515 (2) |
| S1—C8 | 1.8460 (16) | C9—C10 | 1.409 (2) |
| O2—N4 | 1.224 (2) | C10—C11 | 1.393 (2) |
| O3—N4 | 1.2229 (19) | C10—C14 | 1.508 (2) |
| N1—C1 | 1.363 (2) | C11—C12 | 1.377 (2) |
| N1—C6 | 1.381 (2) | C12—C13 | 1.380 (2) |
| N2—C1 | 1.317 (2) | C2—H2 | 0.9500 |
| N2—C7 | 1.413 (2) | C3—H3 | 0.9500 |
| N3—C9 | 1.3336 (19) | C4—H4 | 0.9500 |
| N3—C13 | 1.333 (2) | C5—H5 | 0.9500 |
| N4—C11 | 1.478 (2) | C8—H81 | 0.9500 |
| N1—H1 | 0.881 (17) | C8—H82 | 0.9500 |
| C2—C3 | 1.384 (2) | C12—H12 | 0.9500 |
| C2—C7 | 1.400 (2) | C13—H13 | 0.9500 |
| C3—C4 | 1.397 (2) | C14—H141 | 0.9500 |
| C4—C5 | 1.372 (2) | C14—H142 | 0.9500 |
| C5—C6 | 1.406 (2) | C14—H143 | 0.9500 |
| O1—S1—C1 | 104.84 (7) | C9—C10—C14 | 121.46 (13) |
| O1—S1—C8 | 106.76 (7) | N4—C11—C12 | 115.39 (14) |
| C1—S1—C8 | 98.26 (6) | N4—C11—C10 | 121.95 (14) |
| C1—N1—C6 | 105.78 (12) | C10—C11—C12 | 122.67 (15) |
| C1—N2—C7 | 103.05 (12) | C11—C12—C13 | 117.33 (15) |
| C9—N3—C13 | 118.24 (14) | N3—C13—C12 | 123.01 (15) |
| O2—N4—O3 | 124.37 (15) | C3—C2—H2 | 122.00 |
| O2—N4—C11 | 118.23 (13) | C7—C2—H2 | 122.00 |
| O3—N4—C11 | 117.38 (15) | C2—C3—H3 | 119.00 |
| C1—N1—H1 | 129.6 (11) | C4—C3—H3 | 119.00 |
| C6—N1—H1 | 123.1 (11) | C3—C4—H4 | 119.00 |
| N1—C1—N2 | 115.09 (12) | C5—C4—H4 | 119.00 |
| S1—C1—N1 | 121.48 (13) | C4—C5—H5 | 122.00 |
| S1—C1—N2 | 123.35 (13) | C6—C5—H5 | 122.00 |
| C3—C2—C7 | 116.71 (14) | S1—C8—H81 | 110.00 |
| C2—C3—C4 | 121.98 (15) | S1—C8—H82 | 110.00 |
| C3—C4—C5 | 122.11 (15) | C9—C8—H81 | 110.00 |
| C4—C5—C6 | 116.34 (14) | C9—C8—H82 | 109.00 |
| C5—C6—C7 | 121.95 (14) | H81—C8—H82 | 109.00 |
| N1—C6—C5 | 131.98 (14) | C11—C12—H12 | 122.00 |
| N1—C6—C7 | 106.07 (13) | C13—C12—H12 | 121.00 |
| C2—C7—C6 | 120.90 (14) | N3—C13—H13 | 118.00 |
| N2—C7—C6 | 110.00 (13) | C12—C13—H13 | 119.00 |
| N2—C7—C2 | 129.10 (14) | C10—C14—H141 | 109.00 |
| S1—C8—C9 | 107.75 (10) | C10—C14—H142 | 110.00 |
| N3—C9—C8 | 114.20 (13) | C10—C14—H143 | 109.00 |
| N3—C9—C10 | 124.54 (14) | H141—C14—H142 | 109.00 |
| C8—C9—C10 | 121.22 (13) | H141—C14—H143 | 109.00 |
| C9—C10—C11 | 114.19 (15) | H142—C14—H143 | 109.00 |
| C11—C10—C14 | 124.31 (14) | ||
| O1—S1—C1—N1 | 31.07 (13) | C3—C2—C7—C6 | 0.4 (2) |
| O1—S1—C1—N2 | −145.56 (12) | C2—C3—C4—C5 | −1.2 (3) |
| C8—S1—C1—N1 | −78.80 (12) | C3—C4—C5—C6 | 0.9 (2) |
| C8—S1—C1—N2 | 104.57 (12) | C4—C5—C6—N1 | 179.22 (16) |
| O1—S1—C8—C9 | 51.34 (12) | C4—C5—C6—C7 | 0.0 (2) |
| C1—S1—C8—C9 | 159.64 (11) | N1—C6—C7—N2 | 0.34 (18) |
| C6—N1—C1—S1 | −177.91 (10) | N1—C6—C7—C2 | 179.94 (14) |
| C6—N1—C1—N2 | −1.02 (17) | C5—C6—C7—N2 | 179.71 (14) |
| C1—N1—C6—C5 | −178.93 (16) | C5—C6—C7—C2 | −0.7 (2) |
| C1—N1—C6—C7 | 0.35 (17) | S1—C8—C9—N3 | −99.34 (14) |
| C7—N2—C1—S1 | 178.01 (10) | S1—C8—C9—C10 | 78.74 (15) |
| C7—N2—C1—N1 | 1.18 (16) | N3—C9—C10—C11 | 1.2 (2) |
| C1—N2—C7—C2 | 179.54 (16) | N3—C9—C10—C14 | 178.94 (14) |
| C1—N2—C7—C6 | −0.90 (17) | C8—C9—C10—C11 | −176.73 (13) |
| C13—N3—C9—C8 | 176.84 (14) | C8—C9—C10—C14 | 1.1 (2) |
| C13—N3—C9—C10 | −1.2 (2) | C9—C10—C11—N4 | 179.93 (14) |
| C9—N3—C13—C12 | −0.1 (2) | C9—C10—C11—C12 | 0.1 (2) |
| O2—N4—C11—C10 | 36.3 (2) | C14—C10—C11—N4 | 2.2 (2) |
| O2—N4—C11—C12 | −143.88 (15) | C14—C10—C11—C12 | −177.62 (15) |
| O3—N4—C11—C10 | −145.52 (15) | N4—C11—C12—C13 | 178.95 (14) |
| O3—N4—C11—C12 | 34.3 (2) | C10—C11—C12—C13 | −1.2 (2) |
| C7—C2—C3—C4 | 0.5 (2) | C11—C12—C13—N3 | 1.2 (2) |
| C3—C2—C7—N2 | 179.93 (17) |