| Fe1—O8 | 2.080 (3) | C1—H1 | 0.9300 |
| Fe1—O7 | 2.091 (3) | C2—C3 | 1.394 (7) |
| Fe1—O6 | 2.099 (3) | C2—C11 | 1.494 (7) |
| Fe1—O5 | 2.110 (3) | C3—C4 | 1.373 (7) |
| Fe1—N2 | 2.175 (3) | C3—H3 | 0.9300 |
| Fe1—N1 | 2.177 (3) | C4—C5 | 1.392 (6) |
| S1—O3 | 1.466 (3) | C4—H4 | 0.9300 |
| S1—O2 | 1.477 (3) | C5—C6 | 1.477 (6) |
| S1—O1 | 1.479 (3) | C6—C7 | 1.388 (6) |
| S1—O4 | 1.480 (3) | C7—C8 | 1.382 (7) |
| O5—H1O5 | 0.8346 | C7—H7 | 0.9300 |
| O5—H2O5 | 0.9588 | C8—C9 | 1.379 (7) |
| O6—H1O6 | 0.9409 | C8—H8 | 0.9300 |
| O6—H2O6 | 0.8339 | C9—C10 | 1.385 (6) |
| O7—H1O7 | 0.8346 | C9—C12 | 1.504 (7) |
| O7—H2O7 | 0.8248 | C10—H10 | 0.9300 |
| O8—H1O8 | 0.7727 | C11—H11A | 0.9600 |
| O8—H2O8 | 0.8889 | C11—H11B | 0.9600 |
| N1—C1 | 1.337 (6) | C11—H11C | 0.9600 |
| N1—C5 | 1.354 (5) | C12—H12A | 0.9600 |
| N2—C10 | 1.336 (5) | C12—H12B | 0.9600 |
| N2—C6 | 1.345 (5) | C12—H12C | 0.9600 |
| C1—C2 | 1.389 (6) | ||
| O8—Fe1—O7 | 173.50 (16) | C2—C1—H1 | 117.9 |
| O8—Fe1—O6 | 90.06 (14) | C1—C2—C3 | 116.0 (4) |
| O7—Fe1—O6 | 86.71 (13) | C1—C2—C11 | 120.5 (5) |
| O8—Fe1—O5 | 89.18 (14) | C3—C2—C11 | 123.6 (4) |
| O7—Fe1—O5 | 85.26 (13) | C4—C3—C2 | 120.7 (4) |
| O6—Fe1—O5 | 91.46 (12) | C4—C3—H3 | 119.6 |
| O8—Fe1—N2 | 90.98 (15) | C2—C3—H3 | 119.6 |
| O7—Fe1—N2 | 93.10 (14) | C3—C4—C5 | 119.7 (4) |
| O6—Fe1—N2 | 170.92 (13) | C3—C4—H4 | 120.1 |
| O5—Fe1—N2 | 97.58 (13) | C5—C4—H4 | 120.1 |
| O8—Fe1—N1 | 92.32 (15) | N1—C5—C4 | 120.2 (4) |
| O7—Fe1—N1 | 93.60 (14) | N1—C5—C6 | 116.1 (4) |
| O6—Fe1—N1 | 95.39 (13) | C4—C5—C6 | 123.7 (4) |
| O5—Fe1—N1 | 172.99 (13) | N2—C6—C7 | 120.3 (4) |
| N2—Fe1—N1 | 75.55 (14) | N2—C6—C5 | 116.1 (4) |
| O3—S1—O2 | 109.72 (18) | C7—C6—C5 | 123.6 (4) |
| O3—S1—O1 | 109.88 (18) | C8—C7—C6 | 119.8 (4) |
| O2—S1—O1 | 109.25 (18) | C8—C7—H7 | 120.1 |
| O3—S1—O4 | 109.51 (18) | C6—C7—H7 | 120.1 |
| O2—S1—O4 | 108.76 (17) | C9—C8—C7 | 120.3 (4) |
| O1—S1—O4 | 109.70 (18) | C9—C8—H8 | 119.8 |
| Fe1—O5—H1O5 | 115.4 | C7—C8—H8 | 119.8 |
| Fe1—O5—H2O5 | 114.8 | C8—C9—C10 | 116.3 (4) |
| H1O5—O5—H2O5 | 127.9 | C8—C9—C12 | 123.1 (4) |
| Fe1—O6—H1O6 | 120.9 | C10—C9—C12 | 120.6 (4) |
| Fe1—O6—H2O6 | 116.9 | N2—C10—C9 | 124.4 (4) |
| H1O6—O6—H2O6 | 119.3 | N2—C10—H10 | 117.8 |
| Fe1—O7—H1O7 | 125.5 | C9—C10—H10 | 117.8 |
| Fe1—O7—H2O7 | 115.7 | C2—C11—H11A | 109.5 |
| H1O7—O7—H2O7 | 118.0 | C2—C11—H11B | 109.5 |
| Fe1—O8—H1O8 | 120.9 | H11A—C11—H11B | 109.5 |
| Fe1—O8—H2O8 | 128.8 | C2—C11—H11C | 109.5 |
| H1O8—O8—H2O8 | 109.3 | H11A—C11—H11C | 109.5 |
| C1—N1—C5 | 119.2 (4) | H11B—C11—H11C | 109.5 |
| C1—N1—Fe1 | 125.0 (3) | C9—C12—H12A | 109.5 |
| C5—N1—Fe1 | 115.8 (3) | C9—C12—H12B | 109.5 |
| C10—N2—C6 | 118.9 (4) | H12A—C12—H12B | 109.5 |
| C10—N2—Fe1 | 124.9 (3) | C9—C12—H12C | 109.5 |
| C6—N2—Fe1 | 116.3 (3) | H12A—C12—H12C | 109.5 |
| N1—C1—C2 | 124.1 (4) | H12B—C12—H12C | 109.5 |
| N1—C1—H1 | 117.9 |