| Fe1—O2 | 2.0954 (14) | O5—H5WA | 0.8500 |
| Fe1—O4 | 2.1019 (14) | O5—H5WB | 0.8500 |
| Fe1—O3 | 2.1059 (14) | O6—H6WA | 0.8502 |
| Fe1—O1 | 2.1101 (14) | O6—H6WB | 0.8498 |
| Fe1—O6 | 2.1199 (13) | O15—H15A | 0.8499 |
| Fe1—O5 | 2.1323 (13) | O15—H15B | 0.8498 |
| S1—O9 | 1.4690 (14) | C1—C2 | 1.370 (3) |
| S1—O10 | 1.4698 (14) | C1—H1 | 0.9500 |
| S1—O8 | 1.4700 (13) | C2—C3 | 1.390 (3) |
| S1—O7 | 1.4738 (14) | C2—H2 | 0.9500 |
| S2—O11 | 1.4656 (15) | C3—C4 | 1.397 (3) |
| S2—O12 | 1.4663 (14) | C3—C6 | 1.459 (2) |
| S2—O13 | 1.4690 (15) | C4—C5 | 1.359 (3) |
| S2—O14 | 1.4696 (13) | C4—H4 | 0.9500 |
| N1—C1 | 1.332 (3) | C5—H5 | 0.9500 |
| N1—C5 | 1.336 (3) | C6—C7 | 1.328 (3) |
| N1—H1X | 0.8902 | C6—H6 | 0.9500 |
| N2—C11 | 1.332 (3) | C7—C8 | 1.463 (2) |
| N2—C10 | 1.334 (3) | C7—H7 | 0.9500 |
| N2—H2X | 0.8901 | C8—C12 | 1.396 (3) |
| O1—H1WA | 0.8500 | C8—C9 | 1.401 (3) |
| O1—H1WB | 0.8500 | C9—C10 | 1.365 (2) |
| O2—H2WA | 0.8499 | C9—H9 | 0.9500 |
| O2—H2WB | 0.8499 | C10—H10 | 0.9500 |
| O3—H3WA | 0.8499 | C11—C12 | 1.371 (3) |
| O3—H3WB | 0.8506 | C11—H11 | 0.9500 |
| O4—H4WA | 0.8500 | C12—H12 | 0.9500 |
| O4—H4WB | 0.8500 | ||
| O2—Fe1—O4 | 93.26 (6) | H4WA—O4—H4WB | 104.0 |
| O2—Fe1—O3 | 87.76 (6) | Fe1—O5—H5WA | 119.6 |
| O4—Fe1—O3 | 92.10 (6) | Fe1—O5—H5WB | 112.5 |
| O2—Fe1—O1 | 92.61 (6) | H5WA—O5—H5WB | 104.2 |
| O4—Fe1—O1 | 172.85 (6) | Fe1—O6—H6WA | 127.3 |
| O3—Fe1—O1 | 92.22 (6) | Fe1—O6—H6WB | 120.8 |
| O2—Fe1—O6 | 88.65 (6) | H6WA—O6—H6WB | 104.1 |
| O4—Fe1—O6 | 86.54 (6) | H15A—O15—H15B | 104.2 |
| O3—Fe1—O6 | 176.09 (5) | N1—C1—C2 | 120.11 (18) |
| O1—Fe1—O6 | 89.51 (6) | N1—C1—H1 | 119.9 |
| O2—Fe1—O5 | 177.16 (5) | C2—C1—H1 | 119.9 |
| O4—Fe1—O5 | 84.35 (6) | C1—C2—C3 | 120.25 (18) |
| O3—Fe1—O5 | 90.80 (6) | C1—C2—H2 | 119.9 |
| O1—Fe1—O5 | 89.89 (6) | C3—C2—H2 | 119.9 |
| O6—Fe1—O5 | 92.72 (5) | C2—C3—C4 | 117.53 (16) |
| O9—S1—O10 | 109.65 (9) | C2—C3—C6 | 119.71 (16) |
| O9—S1—O8 | 110.74 (9) | C4—C3—C6 | 122.76 (17) |
| O10—S1—O8 | 108.44 (8) | C5—C4—C3 | 119.92 (18) |
| O9—S1—O7 | 108.66 (8) | C5—C4—H4 | 120.0 |
| O10—S1—O7 | 109.39 (9) | C3—C4—H4 | 120.0 |
| O8—S1—O7 | 109.95 (8) | N1—C5—C4 | 120.65 (18) |
| O11—S2—O12 | 109.56 (9) | N1—C5—H5 | 119.7 |
| O11—S2—O13 | 108.96 (10) | C4—C5—H5 | 119.7 |
| O12—S2—O13 | 109.22 (9) | C7—C6—C3 | 124.73 (17) |
| O11—S2—O14 | 110.64 (8) | C7—C6—H6 | 117.6 |
| O12—S2—O14 | 110.64 (8) | C3—C6—H6 | 117.6 |
| O13—S2—O14 | 107.78 (8) | C6—C7—C8 | 125.04 (17) |
| C1—N1—C5 | 121.54 (16) | C6—C7—H7 | 117.5 |
| C1—N1—H1X | 120.5 | C8—C7—H7 | 117.5 |
| C5—N1—H1X | 117.9 | C12—C8—C9 | 117.67 (16) |
| C11—N2—C10 | 122.22 (16) | C12—C8—C7 | 119.59 (16) |
| C11—N2—H2X | 118.6 | C9—C8—C7 | 122.74 (16) |
| C10—N2—H2X | 119.1 | C10—C9—C8 | 119.68 (18) |
| Fe1—O1—H1WA | 126.9 | C10—C9—H9 | 120.2 |
| Fe1—O1—H1WB | 126.3 | C8—C9—H9 | 120.2 |
| H1WA—O1—H1WB | 103.8 | N2—C10—C9 | 120.40 (18) |
| Fe1—O2—H2WA | 129.5 | N2—C10—H10 | 119.8 |
| Fe1—O2—H2WB | 124.8 | C9—C10—H10 | 119.8 |
| H2WA—O2—H2WB | 104.3 | N2—C11—C12 | 119.85 (17) |
| Fe1—O3—H3WA | 129.3 | N2—C11—H11 | 120.1 |
| Fe1—O3—H3WB | 122.0 | C12—C11—H11 | 120.1 |
| H3WA—O3—H3WB | 104.3 | C11—C12—C8 | 120.17 (18) |
| Fe1—O4—H4WA | 123.2 | C11—C12—H12 | 119.9 |
| Fe1—O4—H4WB | 128.2 | C8—C12—H12 | 119.9 |