| Fe1—N3 | 2.0370 (13) | C6—H6 | 0.9500 |
| Fe1—N2 | 2.0424 (13) | C7—C10 | 1.375 (2) |
| Fe1—N1 | 2.1320 (12) | C7—C8 | 1.385 (2) |
| S1—C1 | 1.6229 (16) | C7—H7 | 0.9500 |
| S2—C9 | 1.6220 (16) | C8—C17 | 1.374 (2) |
| N1—C6 | 1.3412 (19) | C8—H8 | 0.9500 |
| N1—C2 | 1.3430 (19) | C10—H10 | 0.9500 |
| N2—C1 | 1.164 (2) | C11—C12 | 1.452 (2) |
| N3—C9 | 1.166 (2) | C12—N10 | 1.340 (2) |
| N4—C10 | 1.336 (2) | C12—C13 | 1.380 (2) |
| N4—C16 | 1.337 (2) | C13—H13 | 0.9500 |
| N4—H4N | 0.8800 | C14—C15 | 1.386 (2) |
| N5—C11 | 1.142 (2) | C14—H14 | 0.9500 |
| N6—C14 | 1.332 (2) | C15—N10 | 1.333 (2) |
| N6—C13 | 1.337 (2) | C15—H15 | 0.9500 |
| N7—C22 | 1.141 (2) | C16—C17 | 1.375 (2) |
| N8—C19 | 1.330 (2) | C16—H16 | 0.9500 |
| N8—C21 | 1.3355 (19) | C17—H17 | 0.9500 |
| C2—C3 | 1.381 (2) | C18—N9 | 1.3411 (19) |
| C2—H2 | 0.9500 | C19—C20 | 1.387 (2) |
| C3—C4 | 1.380 (2) | C19—H19 | 0.9500 |
| C3—H3 | 0.9500 | C20—N9 | 1.331 (2) |
| C4—C5 | 1.385 (2) | C20—H20 | 0.9500 |
| C4—H4 | 0.9500 | C21—C18 | 1.381 (2) |
| C5—C6 | 1.376 (2) | C21—H21 | 0.9500 |
| C5—H5 | 0.9500 | C22—C18 | 1.453 (2) |
| N3i—Fe1—N3 | 179.999 (1) | N1—C6—H6 | 118.6 |
| N3i—Fe1—N2i | 88.77 (5) | C5—C6—H6 | 118.6 |
| N3—Fe1—N2i | 91.23 (5) | C10—C7—C8 | 118.63 (16) |
| N3i—Fe1—N2 | 91.23 (5) | C10—C7—H7 | 120.7 |
| N3—Fe1—N2 | 88.77 (5) | C8—C7—H7 | 120.7 |
| N2i—Fe1—N2 | 180.0 | C17—C8—C7 | 119.32 (16) |
| N3i—Fe1—N1 | 90.30 (5) | C17—C8—H8 | 120.3 |
| N3—Fe1—N1 | 89.70 (5) | C7—C8—H8 | 120.3 |
| N2i—Fe1—N1 | 90.58 (5) | N3—C9—S2 | 179.33 (15) |
| N2—Fe1—N1 | 89.42 (5) | N4—C10—C7 | 121.91 (16) |
| N3i—Fe1—N1i | 89.70 (5) | N4—C10—H10 | 119.0 |
| N3—Fe1—N1i | 90.30 (5) | C7—C10—H10 | 119.0 |
| N2i—Fe1—N1i | 89.42 (5) | N5—C11—C12 | 177.71 (17) |
| N2—Fe1—N1i | 90.58 (5) | N10—C12—C13 | 123.29 (14) |
| N1—Fe1—N1i | 180.0 | N10—C12—C11 | 116.65 (14) |
| C6—N1—C2 | 118.34 (13) | C13—C12—C11 | 120.04 (14) |
| C6—N1—Fe1 | 120.20 (10) | N6—C13—C12 | 121.47 (15) |
| C2—N1—Fe1 | 121.37 (10) | N6—C13—H13 | 119.3 |
| C1—N2—Fe1 | 163.20 (12) | C12—C13—H13 | 119.3 |
| C9—N3—Fe1 | 167.56 (12) | N6—C14—C15 | 122.38 (15) |
| C10—N4—C16 | 119.32 (15) | N6—C14—H14 | 118.8 |
| C10—N4—H4N | 120.3 | C15—C14—H14 | 118.8 |
| C16—N4—H4N | 120.3 | N10—C15—C14 | 122.39 (15) |
| C14—N6—C13 | 115.74 (14) | N10—C15—H15 | 118.8 |
| C19—N8—C21 | 115.86 (14) | C14—C15—H15 | 118.8 |
| N2—C1—S1 | 179.41 (14) | C15—N10—C12 | 114.73 (14) |
| N7—C22—C18 | 178.82 (18) | N4—C16—C17 | 121.84 (16) |
| N8—C21—C18 | 121.37 (14) | N4—C16—H16 | 119.1 |
| N8—C21—H21 | 119.3 | C17—C16—H16 | 119.1 |
| C18—C21—H21 | 119.3 | C8—C17—C16 | 118.98 (16) |
| N1—C2—C3 | 122.04 (14) | C8—C17—H17 | 120.5 |
| N1—C2—H2 | 119.0 | C16—C17—H17 | 120.5 |
| C3—C2—H2 | 119.0 | N9—C18—C21 | 123.30 (14) |
| C4—C3—C2 | 119.23 (14) | N9—C18—C22 | 116.67 (14) |
| C4—C3—H3 | 120.4 | C21—C18—C22 | 120.03 (14) |
| C2—C3—H3 | 120.4 | N8—C19—C20 | 122.36 (14) |
| C3—C4—C5 | 118.89 (14) | N8—C19—H19 | 118.8 |
| C3—C4—H4 | 120.6 | C20—C19—H19 | 118.8 |
| C5—C4—H4 | 120.6 | N9—C20—C19 | 122.46 (14) |
| C6—C5—C4 | 118.72 (15) | N9—C20—H20 | 118.8 |
| C6—C5—H5 | 120.6 | C19—C20—H20 | 118.8 |
| C4—C5—H5 | 120.6 | C20—N9—C18 | 114.64 (13) |
| N1—C6—C5 | 122.77 (14) |