| Ni1—N1 | 1.8587 (14) | C7—H7 | 0.96 (2) |
| Ni1—N3 | 1.9268 (14) | C8—C9A | 1.526 (3) |
| Ni1—N2 | 1.9345 (13) | C8—C9B | 1.601 (12) |
| Ni1—S1 | 2.1421 (5) | C8—H8C | 0.9900 |
| S1—C1 | 1.7396 (17) | C8—H8D | 0.9900 |
| N1—C7 | 1.289 (2) | C8—H8A | 0.96 (2) |
| N1—C8 | 1.499 (2) | C8—H8B | 0.94 (2) |
| N2—C10B | 1.425 (12) | C11—C10A | 1.513 (3) |
| N2—C9A | 1.473 (2) | C11—C10B | 1.604 (12) |
| N2—C10A | 1.488 (2) | C11—H11C | 0.9900 |
| N2—C9B | 1.496 (12) | C11—H11D | 0.9900 |
| N2—C12A | 1.507 (2) | C11—H11A | 0.97 (2) |
| N2—C12B | 1.566 (12) | C11—H11B | 0.96 (2) |
| N3—C11 | 1.492 (2) | C9A—H9A | 1.02 (2) |
| N3—HN3A | 0.93 (2) | C9A—H9B | 1.06 (3) |
| N3—HN3B | 0.841 (19) | C10A—H10A | 0.97 (2) |
| C1—C2 | 1.404 (2) | C10A—H10B | 1.02 (2) |
| C1—C6 | 1.411 (2) | C12A—H12A | 1.02 (3) |
| C2—C3 | 1.380 (3) | C12A—H12B | 0.99 (2) |
| C2—H2 | 0.953 (19) | C12A—H12C | 1.00 (2) |
| C3—C4 | 1.388 (3) | C9B—H9C | 0.9900 |
| C3—H3 | 0.89 (2) | C9B—H9D | 0.9900 |
| C4—C5 | 1.365 (3) | C10B—H10C | 0.9900 |
| C4—H4 | 0.94 (2) | C10B—H10D | 0.9900 |
| C5—C6 | 1.417 (2) | C12B—H12D | 0.9800 |
| C5—H5 | 0.93 (2) | C12B—H12E | 0.9800 |
| C6—C7 | 1.435 (2) | C12B—H12F | 0.9800 |
| N1—Ni1—N3 | 172.68 (6) | H8C—C8—H8D | 109.1 |
| N1—Ni1—N2 | 86.53 (6) | N1—C8—H8A | 109.7 (13) |
| N3—Ni1—N2 | 86.16 (6) | C9A—C8—H8A | 112.8 (13) |
| N1—Ni1—S1 | 97.77 (5) | N1—C8—H8B | 107.9 (13) |
| N3—Ni1—S1 | 89.53 (5) | C9A—C8—H8B | 110.8 (14) |
| N2—Ni1—S1 | 175.49 (4) | H8A—C8—H8B | 108.6 (18) |
| C1—S1—Ni1 | 111.00 (6) | N3—C11—C10A | 107.33 (15) |
| C7—N1—C8 | 114.95 (14) | N3—C11—C10B | 106.1 (5) |
| C7—N1—Ni1 | 131.91 (12) | N3—C11—H11C | 110.5 |
| C8—N1—Ni1 | 113.07 (11) | C10B—C11—H11C | 110.5 |
| C9A—N2—C10A | 112.64 (15) | N3—C11—H11D | 110.5 |
| C10B—N2—C9B | 117.1 (7) | C10B—C11—H11D | 110.5 |
| C9A—N2—C12A | 111.16 (15) | H11C—C11—H11D | 108.7 |
| C10A—N2—C12A | 109.86 (15) | N3—C11—H11A | 107.3 (12) |
| C10B—N2—C12B | 109.6 (7) | C10A—C11—H11A | 112.3 (12) |
| C9B—N2—C12B | 106.3 (7) | N3—C11—H11B | 111.8 (12) |
| C10B—N2—Ni1 | 110.0 (5) | C10A—C11—H11B | 111.6 (13) |
| C9A—N2—Ni1 | 105.56 (11) | H11A—C11—H11B | 106.5 (17) |
| C10A—N2—Ni1 | 106.80 (12) | N2—C9A—C8 | 106.59 (16) |
| C9B—N2—Ni1 | 107.7 (4) | N2—C9A—H9A | 112.3 (13) |
| C12A—N2—Ni1 | 110.66 (12) | C8—C9A—H9A | 112.1 (14) |
| C12B—N2—Ni1 | 105.4 (5) | N2—C9A—H9B | 102.4 (15) |
| C11—N3—Ni1 | 111.83 (11) | C8—C9A—H9B | 115.4 (14) |
| C11—N3—HN3A | 107.1 (13) | H9A—C9A—H9B | 108 (2) |
| Ni1—N3—HN3A | 104.2 (14) | N2—C10A—C11 | 107.20 (15) |
| C11—N3—HN3B | 107.7 (13) | N2—C10A—H10A | 110.9 (14) |
| Ni1—N3—HN3B | 110.2 (13) | C11—C10A—H10A | 113.2 (14) |
| HN3A—N3—HN3B | 115.9 (19) | N2—C10A—H10B | 104.3 (13) |
| C2—C1—C6 | 117.68 (15) | C11—C10A—H10B | 112.4 (14) |
| C2—C1—S1 | 117.14 (13) | H10A—C10A—H10B | 108.4 (18) |
| C6—C1—S1 | 125.17 (13) | N2—C12A—H12A | 108.2 (13) |
| C3—C2—C1 | 121.38 (18) | N2—C12A—H12B | 109.1 (13) |
| C3—C2—H2 | 119.5 (11) | H12A—C12A—H12B | 106.5 (19) |
| C1—C2—H2 | 119.1 (11) | N2—C12A—H12C | 110.2 (14) |
| C2—C3—C4 | 121.23 (18) | H12A—C12A—H12C | 112.4 (19) |
| C2—C3—H3 | 118.2 (13) | H12B—C12A—H12C | 110.2 (18) |
| C4—C3—H3 | 120.6 (13) | N2—C9B—C8 | 101.8 (7) |
| C5—C4—C3 | 118.43 (17) | N2—C9B—H9C | 111.4 |
| C5—C4—H4 | 120.9 (13) | C8—C9B—H9C | 111.4 |
| C3—C4—H4 | 120.7 (13) | N2—C9B—H9D | 111.4 |
| C4—C5—C6 | 122.11 (17) | C8—C9B—H9D | 111.4 |
| C4—C5—H5 | 124.1 (13) | H9C—C9B—H9D | 109.3 |
| C6—C5—H5 | 113.8 (12) | N2—C10B—C11 | 105.6 (7) |
| C1—C6—C5 | 119.10 (16) | N2—C10B—H10C | 110.6 |
| C1—C6—C7 | 124.70 (15) | C11—C10B—H10C | 110.6 |
| C5—C6—C7 | 116.12 (15) | N2—C10B—H10D | 110.6 |
| N1—C7—C6 | 128.09 (16) | C11—C10B—H10D | 110.6 |
| N1—C7—H7 | 118.1 (11) | H10C—C10B—H10D | 108.7 |
| C6—C7—H7 | 113.8 (11) | N2—C12B—H12D | 109.5 |
| N1—C8—C9A | 106.96 (15) | N2—C12B—H12E | 109.5 |
| N1—C8—C9B | 102.9 (4) | H12D—C12B—H12E | 109.5 |
| N1—C8—H8C | 111.2 | N2—C12B—H12F | 109.5 |
| C9B—C8—H8C | 111.2 | H12D—C12B—H12F | 109.5 |
| N1—C8—H8D | 111.2 | H12E—C12B—H12F | 109.5 |
| C9B—C8—H8D | 111.2 | ||
| N2—Ni1—N1—C7 | 168.82 (17) | C12A—N2—C9A—C8 | 71.6 (2) |
| S1—Ni1—N1—C7 | −12.54 (17) | C12B—N2—C9A—C8 | −146.3 (7) |
| N2—Ni1—N1—C8 | −7.83 (13) | Ni1—N2—C9A—C8 | −48.46 (18) |
| S1—Ni1—N1—C8 | 170.81 (12) | N1—C8—C9A—N2 | 42.9 (2) |
| Ni1—S1—C1—C2 | 177.10 (12) | C9B—C8—C9A—N2 | −50.5 (5) |
| Ni1—S1—C1—C6 | −3.70 (17) | C10B—N2—C10A—C11 | −55.6 (6) |
| C6—C1—C2—C3 | 2.3 (3) | C9A—N2—C10A—C11 | 162.30 (16) |
| S1—C1—C2—C3 | −178.40 (15) | C9B—N2—C10A—C11 | −137.0 (9) |
| C1—C2—C3—C4 | −0.2 (3) | C12A—N2—C10A—C11 | −73.2 (2) |
| C2—C3—C4—C5 | −1.8 (3) | C12B—N2—C10A—C11 | 145.6 (6) |
| C3—C4—C5—C6 | 1.6 (3) | Ni1—N2—C10A—C11 | 46.86 (18) |
| C2—C1—C6—C5 | −2.5 (3) | N3—C11—C10A—N2 | −45.4 (2) |
| S1—C1—C6—C5 | 178.33 (13) | C10B—C11—C10A—N2 | 50.7 (6) |
| C2—C1—C6—C7 | 174.18 (17) | C10B—N2—C9B—C8 | 173.6 (7) |
| S1—C1—C6—C7 | −5.0 (3) | C9A—N2—C9B—C8 | −47.8 (4) |
| C4—C5—C6—C1 | 0.5 (3) | C10A—N2—C9B—C8 | −127.0 (6) |
| C4—C5—C6—C7 | −176.40 (18) | C12A—N2—C9B—C8 | 153.0 (8) |
| C8—N1—C7—C6 | −177.03 (18) | C12B—N2—C9B—C8 | −63.5 (8) |
| Ni1—N1—C7—C6 | 6.4 (3) | Ni1—N2—C9B—C8 | 49.1 (6) |
| C1—C6—C7—N1 | 5.2 (3) | N1—C8—C9B—N2 | −53.5 (6) |
| C5—C6—C7—N1 | −178.09 (18) | C9A—C8—C9B—N2 | 48.0 (4) |
| C7—N1—C8—C9A | 165.20 (17) | C9A—N2—C10B—C11 | 124.5 (6) |
| Ni1—N1—C8—C9A | −17.6 (2) | C10A—N2—C10B—C11 | 50.5 (5) |
| C7—N1—C8—C9B | −141.0 (5) | C9B—N2—C10B—C11 | −168.6 (6) |
| Ni1—N1—C8—C9B | 36.2 (5) | C12A—N2—C10B—C11 | −148.4 (9) |
| Ni1—N3—C11—C10A | 23.43 (19) | C12B—N2—C10B—C11 | 70.2 (9) |
| Ni1—N3—C11—C10B | −26.0 (5) | Ni1—N2—C10B—C11 | −45.2 (8) |
| C10B—N2—C9A—C8 | 141.6 (9) | N3—C11—C10B—N2 | 45.7 (8) |
| C10A—N2—C9A—C8 | −164.64 (17) | C10A—C11—C10B—N2 | −53.3 (5) |
| C9B—N2—C9A—C8 | 52.5 (5) |