| Fe1—N3 | 2.156 (3) | C4—C5 | 1.398 (5) |
| Fe1—N3i | 2.156 (3) | C16—H16 | 0.9500 |
| Fe1—N4i | 2.142 (3) | C16—C11 | 1.420 (5) |
| Fe1—N4 | 2.142 (3) | C16—C15 | 1.383 (5) |
| Fe1—N1 | 2.258 (3) | C3—H3 | 0.9500 |
| Fe1—N1i | 2.258 (3) | C3—C2 | 1.363 (5) |
| Cl1—C20 | 1.749 (5) | C12—H12 | 0.9500 |
| Cl3—C20 | 1.745 (5) | C12—C13 | 1.380 (5) |
| Cl2—C20 | 1.764 (5) | C12—C11 | 1.389 (5) |
| N3—C8 | 1.348 (4) | C7—H7 | 0.9500 |
| N3—C4 | 1.320 (5) | C7—C6 | 1.369 (5) |
| O1—C14 | 1.361 (5) | C10—C11 | 1.458 (5) |
| O1—C17 | 1.425 (5) | C5—H5 | 0.9500 |
| N4—N5 | 1.365 (4) | C5—C6 | 1.386 (5) |
| N4—C9 | 1.349 (4) | C1—H1 | 0.9500 |
| N2—N1 | 1.385 (4) | C1—C2 | 1.408 (6) |
| N2—C4 | 1.414 (4) | C13—H13 | 0.9500 |
| N2—C3 | 1.346 (5) | C2—H2 | 0.9500 |
| N5—C10 | 1.347 (4) | C6—H6 | 0.9500 |
| O2—C15 | 1.374 (4) | C20—H20 | 1.0000 |
| O2—C18 | 1.437 (5) | C17—H17A | 0.9800 |
| N1—C1 | 1.320 (5) | C17—H17B | 0.9800 |
| O3—H3A | 0.8400 | C17—H17C | 0.9800 |
| O3—C19 | 1.394 (5) | C19—H19A | 0.9800 |
| N6—C9 | 1.342 (5) | C19—H19B | 0.9800 |
| N6—C10 | 1.362 (4) | C19—H19C | 0.9800 |
| C9—C8 | 1.465 (5) | C18—H18A | 0.9800 |
| C8—C7 | 1.385 (5) | C18—H18B | 0.9800 |
| C14—C13 | 1.382 (5) | C18—H18C | 0.9800 |
| C14—C15 | 1.401 (5) | ||
| N3i—Fe1—N3 | 177.28 (19) | C11—C12—H12 | 119.3 |
| N3—Fe1—N1 | 72.28 (11) | C8—C7—H7 | 120.7 |
| N3i—Fe1—N1 | 105.79 (11) | C6—C7—C8 | 118.5 (4) |
| N3i—Fe1—N1i | 72.29 (11) | C6—C7—H7 | 120.7 |
| N3—Fe1—N1i | 105.79 (11) | N5—C10—N6 | 113.2 (4) |
| N4i—Fe1—N3 | 106.79 (11) | N5—C10—C11 | 123.6 (3) |
| N4—Fe1—N3i | 106.79 (11) | N6—C10—C11 | 123.1 (3) |
| N4i—Fe1—N3i | 75.05 (12) | C4—C5—H5 | 122.3 |
| N4—Fe1—N3 | 75.05 (12) | C6—C5—C4 | 115.4 (4) |
| N4—Fe1—N4i | 98.53 (18) | C6—C5—H5 | 122.3 |
| N4i—Fe1—N1i | 147.30 (10) | N1—C1—H1 | 123.9 |
| N4i—Fe1—N1 | 92.40 (12) | N1—C1—C2 | 112.3 (3) |
| N4—Fe1—N1 | 147.30 (10) | C2—C1—H1 | 123.9 |
| N4—Fe1—N1i | 92.40 (12) | C14—C13—H13 | 119.4 |
| N1—Fe1—N1i | 94.81 (17) | C12—C13—C14 | 121.2 (4) |
| C8—N3—Fe1 | 118.5 (3) | C12—C13—H13 | 119.4 |
| C4—N3—Fe1 | 121.7 (2) | C16—C11—C10 | 120.5 (4) |
| C4—N3—C8 | 119.7 (3) | C12—C11—C16 | 117.8 (4) |
| C14—O1—C17 | 117.3 (3) | C12—C11—C10 | 121.7 (3) |
| N5—N4—Fe1 | 138.9 (2) | C3—C2—C1 | 104.6 (4) |
| C9—N4—Fe1 | 115.3 (3) | C3—C2—H2 | 127.7 |
| C9—N4—N5 | 105.5 (3) | C1—C2—H2 | 127.7 |
| N1—N2—C4 | 118.0 (3) | O2—C15—C14 | 115.3 (4) |
| C3—N2—N1 | 111.2 (3) | O2—C15—C16 | 124.0 (4) |
| C3—N2—C4 | 130.7 (3) | C16—C15—C14 | 120.6 (4) |
| C10—N5—N4 | 105.8 (3) | C7—C6—C5 | 121.9 (3) |
| C15—O2—C18 | 116.3 (3) | C7—C6—H6 | 119.1 |
| N2—N1—Fe1 | 113.6 (2) | C5—C6—H6 | 119.1 |
| C1—N1—Fe1 | 142.2 (2) | Cl1—C20—Cl2 | 109.8 (2) |
| C1—N1—N2 | 104.0 (3) | Cl1—C20—H20 | 109.0 |
| C19—O3—H3A | 109.5 | Cl3—C20—Cl1 | 110.5 (3) |
| C9—N6—C10 | 101.4 (3) | Cl3—C20—Cl2 | 109.6 (3) |
| N4—C9—C8 | 118.3 (3) | Cl3—C20—H20 | 109.0 |
| N6—C9—N4 | 114.1 (3) | Cl2—C20—H20 | 109.0 |
| N6—C9—C8 | 127.5 (3) | O1—C17—H17A | 109.5 |
| N3—C8—C9 | 112.1 (3) | O1—C17—H17B | 109.5 |
| N3—C8—C7 | 120.8 (4) | O1—C17—H17C | 109.5 |
| C7—C8—C9 | 127.0 (4) | H17A—C17—H17B | 109.5 |
| O1—C14—C13 | 125.6 (4) | H17A—C17—H17C | 109.5 |
| O1—C14—C15 | 115.7 (3) | H17B—C17—H17C | 109.5 |
| C13—C14—C15 | 118.7 (4) | O3—C19—H19A | 109.5 |
| N3—C4—N2 | 114.2 (3) | O3—C19—H19B | 109.5 |
| N3—C4—C5 | 123.6 (4) | O3—C19—H19C | 109.5 |
| C5—C4—N2 | 122.2 (4) | H19A—C19—H19B | 109.5 |
| C11—C16—H16 | 119.8 | H19A—C19—H19C | 109.5 |
| C15—C16—H16 | 119.8 | H19B—C19—H19C | 109.5 |
| C15—C16—C11 | 120.5 (4) | O2—C18—H18A | 109.5 |
| N2—C3—H3 | 126.0 | O2—C18—H18B | 109.5 |
| N2—C3—C2 | 107.9 (4) | O2—C18—H18C | 109.5 |
| C2—C3—H3 | 126.0 | H18A—C18—H18B | 109.5 |
| C13—C12—H12 | 119.3 | H18A—C18—H18C | 109.5 |
| C13—C12—C11 | 121.3 (4) | H18B—C18—H18C | 109.5 |
| Fe1—N3—C8—C9 | −0.6 (4) | C9—N6—C10—N5 | −1.6 (4) |
| Fe1—N3—C8—C7 | 175.9 (3) | C9—N6—C10—C11 | 177.0 (4) |
| Fe1—N3—C4—N2 | 5.5 (5) | C9—C8—C7—C6 | 175.8 (4) |
| Fe1—N3—C4—C5 | −174.9 (3) | C8—N3—C4—N2 | −177.7 (3) |
| Fe1—N4—N5—C10 | −172.7 (3) | C8—N3—C4—C5 | 1.9 (6) |
| Fe1—N4—C9—N6 | 173.7 (3) | C8—C7—C6—C5 | 0.5 (7) |
| Fe1—N4—C9—C8 | −9.8 (4) | C4—N3—C8—C9 | −177.6 (3) |
| Fe1—N1—C1—C2 | 175.1 (3) | C4—N3—C8—C7 | −1.0 (6) |
| N3—C8—C7—C6 | −0.2 (6) | C4—N2—N1—Fe1 | −1.3 (4) |
| N3—C4—C5—C6 | −1.6 (6) | C4—N2—N1—C1 | 175.1 (3) |
| O1—C14—C13—C12 | −179.6 (4) | C4—N2—C3—C2 | −174.5 (4) |
| O1—C14—C15—O2 | −0.2 (5) | C4—C5—C6—C7 | 0.3 (7) |
| O1—C14—C15—C16 | 179.2 (4) | C3—N2—N1—Fe1 | −176.9 (3) |
| N4—N5—C10—N6 | 1.2 (4) | C3—N2—N1—C1 | −0.5 (4) |
| N4—N5—C10—C11 | −177.4 (3) | C3—N2—C4—N3 | 172.2 (4) |
| N4—C9—C8—N3 | 6.9 (5) | C3—N2—C4—C5 | −7.4 (7) |
| N4—C9—C8—C7 | −169.4 (4) | C10—N6—C9—N4 | 1.4 (4) |
| N2—N1—C1—C2 | 0.4 (5) | C10—N6—C9—C8 | −174.7 (4) |
| N2—C4—C5—C6 | 178.0 (4) | C13—C14—C15—O2 | −179.3 (4) |
| N2—C3—C2—C1 | −0.2 (5) | C13—C14—C15—C16 | 0.1 (6) |
| N5—N4—C9—N6 | −0.8 (4) | C13—C12—C11—C16 | 0.0 (6) |
| N5—N4—C9—C8 | 175.8 (3) | C13—C12—C11—C10 | −178.2 (4) |
| N5—C10—C11—C16 | 17.2 (6) | C11—C16—C15—O2 | 179.9 (4) |
| N5—C10—C11—C12 | −164.6 (4) | C11—C16—C15—C14 | 0.5 (6) |
| N1—N2—C4—N3 | −2.5 (5) | C11—C12—C13—C14 | 0.6 (6) |
| N1—N2—C4—C5 | 177.9 (4) | C15—C14—C13—C12 | −0.6 (6) |
| N1—N2—C3—C2 | 0.4 (5) | C15—C16—C11—C12 | −0.6 (6) |
| N1—C1—C2—C3 | −0.2 (5) | C15—C16—C11—C10 | 177.7 (4) |
| N6—C9—C8—N3 | −177.1 (4) | C17—O1—C14—C13 | 3.5 (6) |
| N6—C9—C8—C7 | 6.6 (7) | C17—O1—C14—C15 | −175.5 (4) |
| N6—C10—C11—C16 | −161.3 (4) | C18—O2—C15—C14 | 179.0 (4) |
| N6—C10—C11—C12 | 16.9 (6) | C18—O2—C15—C16 | −0.4 (6) |
| C9—N4—N5—C10 | −0.3 (4) |