| Fe1—C1 | 1.850 (4) | C28—C29 | 1.385 (5) |
| Fe1—C2 | 1.830 (4) | C29—H29 | 0.9500 |
| Fe1—C3 | 1.825 (3) | C29—C30 | 1.383 (6) |
| Fe1—C4 | 2.361 (4) | C30—H30 | 0.9500 |
| Fe1—C5 | 2.130 (3) | C30—C31 | 1.390 (6) |
| Fe1—C6 | 2.101 (4) | C31—H31 | 0.9500 |
| Fe1—C7 | 2.065 (3) | C31—C32 | 1.387 (6) |
| Fe1—C8 | 2.137 (3) | C32—H32 | 0.9500 |
| O1—C4 | 1.243 (5) | C33—C34 | 1.397 (6) |
| N1—C1 | 1.162 (6) | C33—C39 | 1.403 (5) |
| N1—C33 | 1.392 (5) | C34—C35 | 1.496 (6) |
| N2—C2 | 1.169 (5) | C34—C36 | 1.397 (6) |
| N2—C41 | 1.403 (6) | C35—H35A | 0.9800 |
| N3—C3 | 1.162 (4) | C35—H35B | 0.9800 |
| N3—C49 | 1.403 (4) | C35—H35C | 0.9800 |
| C4—C5 | 1.475 (6) | C36—H36 | 0.9500 |
| C4—C8 | 1.487 (4) | C36—C37 | 1.386 (7) |
| C5—C6 | 1.438 (5) | C37—H37 | 0.9500 |
| C5—C9 | 1.487 (4) | C37—C38 | 1.375 (7) |
| C6—C7 | 1.447 (5) | C38—H38 | 0.9500 |
| C6—C15 | 1.482 (6) | C38—C39 | 1.384 (6) |
| C7—C8 | 1.434 (6) | C39—C40 | 1.501 (7) |
| C7—C21 | 1.494 (5) | C40—H40A | 0.9800 |
| C8—C27 | 1.478 (5) | C40—H40B | 0.9800 |
| C9—C10 | 1.388 (5) | C40—H40C | 0.9800 |
| C9—C14 | 1.402 (5) | C41—C42 | 1.397 (5) |
| C10—H10 | 0.9500 | C41—C47 | 1.398 (6) |
| C10—C11 | 1.390 (5) | C42—C43 | 1.490 (6) |
| C11—H11 | 0.9500 | C42—C44 | 1.392 (6) |
| C11—C12 | 1.387 (6) | C43—H43A | 0.9800 |
| C12—H12 | 0.9500 | C43—H43B | 0.9800 |
| C12—C13 | 1.387 (6) | C43—H43C | 0.9800 |
| C13—H13 | 0.9500 | C44—H44 | 0.9500 |
| C13—C14 | 1.387 (5) | C44—C45 | 1.386 (8) |
| C14—H14 | 0.9500 | C45—H45 | 0.9500 |
| C15—C16 | 1.393 (5) | C45—C46 | 1.383 (8) |
| C15—C20 | 1.404 (5) | C46—H46 | 0.9500 |
| C16—H16 | 0.9500 | C46—C47 | 1.383 (7) |
| C16—C17 | 1.390 (6) | C47—C48 | 1.507 (7) |
| C17—H17 | 0.9500 | C48—H48A | 0.9800 |
| C17—C18 | 1.383 (6) | C48—H48B | 0.9800 |
| C18—H18 | 0.9500 | C48—H48C | 0.9800 |
| C18—C19 | 1.390 (6) | C49—C50 | 1.391 (5) |
| C19—H19 | 0.9500 | C49—C55 | 1.404 (6) |
| C19—C20 | 1.389 (6) | C50—C51 | 1.498 (6) |
| C20—H20 | 0.9500 | C50—C52 | 1.396 (5) |
| C21—C22 | 1.396 (5) | C51—H51A | 0.9800 |
| C21—C26 | 1.394 (5) | C51—H51B | 0.9800 |
| C22—H22 | 0.9500 | C51—H51C | 0.9800 |
| C22—C23 | 1.390 (5) | C52—H52 | 0.9500 |
| C23—H23 | 0.9500 | C52—C53 | 1.387 (7) |
| C23—C24 | 1.396 (6) | C53—H53 | 0.9500 |
| C24—H24 | 0.9500 | C53—C54 | 1.377 (6) |
| C24—C25 | 1.386 (6) | C54—H54 | 0.9500 |
| C25—H25 | 0.9500 | C54—C55 | 1.393 (5) |
| C25—C26 | 1.388 (5) | C55—C56 | 1.493 (6) |
| C26—H26 | 0.9500 | C56—H56A | 0.9800 |
| C27—C28 | 1.414 (5) | C56—H56B | 0.9800 |
| C27—C32 | 1.398 (6) | C56—H56C | 0.9800 |
| C28—H28 | 0.9500 | ||
| C1—Fe1—C4 | 81.84 (15) | C24—C25—C26 | 120.3 (4) |
| C1—Fe1—C5 | 98.56 (15) | C26—C25—H25 | 119.9 |
| C1—Fe1—C6 | 138.28 (15) | C21—C26—H26 | 119.7 |
| C1—Fe1—C7 | 140.51 (16) | C25—C26—C21 | 120.6 (4) |
| C1—Fe1—C8 | 100.74 (16) | C25—C26—H26 | 119.7 |
| C2—Fe1—C1 | 98.02 (16) | C28—C27—C8 | 122.0 (3) |
| C2—Fe1—C4 | 137.55 (14) | C32—C27—C8 | 120.7 (3) |
| C2—Fe1—C5 | 101.46 (16) | C32—C27—C28 | 117.2 (3) |
| C2—Fe1—C6 | 92.42 (16) | C27—C28—H28 | 119.5 |
| C2—Fe1—C7 | 120.43 (17) | C29—C28—C27 | 121.1 (4) |
| C2—Fe1—C8 | 158.98 (16) | C29—C28—H28 | 119.5 |
| C3—Fe1—C1 | 92.11 (17) | C28—C29—H29 | 119.8 |
| C3—Fe1—C2 | 92.78 (17) | C30—C29—C28 | 120.5 (4) |
| C3—Fe1—C4 | 129.67 (15) | C30—C29—H29 | 119.8 |
| C3—Fe1—C5 | 160.77 (14) | C29—C30—H30 | 120.3 |
| C3—Fe1—C6 | 127.73 (15) | C29—C30—C31 | 119.4 (4) |
| C3—Fe1—C7 | 94.48 (14) | C31—C30—H30 | 120.3 |
| C3—Fe1—C8 | 95.90 (14) | C30—C31—H31 | 119.8 |
| C5—Fe1—C4 | 37.91 (15) | C32—C31—C30 | 120.3 (4) |
| C5—Fe1—C8 | 66.48 (13) | C32—C31—H31 | 119.8 |
| C6—Fe1—C4 | 63.99 (14) | C27—C32—H32 | 119.3 |
| C6—Fe1—C5 | 39.73 (14) | C31—C32—C27 | 121.4 (3) |
| C6—Fe1—C8 | 67.18 (14) | C31—C32—H32 | 119.3 |
| C7—Fe1—C4 | 64.22 (13) | N1—C33—C34 | 118.9 (4) |
| C7—Fe1—C5 | 67.20 (12) | N1—C33—C39 | 117.8 (4) |
| C7—Fe1—C6 | 40.63 (13) | C34—C33—C39 | 123.3 (4) |
| C7—Fe1—C8 | 39.85 (15) | C33—C34—C35 | 120.4 (4) |
| C8—Fe1—C4 | 38.22 (12) | C33—C34—C36 | 117.0 (4) |
| C1—N1—C33 | 178.6 (4) | C36—C34—C35 | 122.6 (4) |
| C2—N2—C41 | 159.5 (4) | C34—C35—H35A | 109.5 |
| C3—N3—C49 | 163.5 (4) | C34—C35—H35B | 109.5 |
| N1—C1—Fe1 | 177.1 (4) | C34—C35—H35C | 109.5 |
| N2—C2—Fe1 | 178.1 (4) | H35A—C35—H35B | 109.5 |
| N3—C3—Fe1 | 177.1 (4) | H35A—C35—H35C | 109.5 |
| O1—C4—Fe1 | 135.1 (3) | H35B—C35—H35C | 109.5 |
| O1—C4—C5 | 126.5 (3) | C34—C36—H36 | 119.7 |
| O1—C4—C8 | 129.0 (3) | C37—C36—C34 | 120.5 (4) |
| C5—C4—Fe1 | 62.53 (18) | C37—C36—H36 | 119.7 |
| C5—C4—C8 | 104.3 (3) | C36—C37—H37 | 119.6 |
| C8—C4—Fe1 | 62.74 (18) | C38—C37—C36 | 120.8 (4) |
| C4—C5—Fe1 | 79.56 (19) | C38—C37—H37 | 119.6 |
| C4—C5—C9 | 122.3 (3) | C37—C38—H38 | 119.4 |
| C6—C5—Fe1 | 69.06 (18) | C37—C38—C39 | 121.2 (4) |
| C6—C5—C4 | 109.2 (3) | C39—C38—H38 | 119.4 |
| C6—C5—C9 | 126.5 (4) | C33—C39—C40 | 120.5 (4) |
| C9—C5—Fe1 | 130.8 (2) | C38—C39—C33 | 117.0 (4) |
| C5—C6—Fe1 | 71.21 (19) | C38—C39—C40 | 122.4 (4) |
| C5—C6—C7 | 107.2 (3) | C39—C40—H40A | 109.5 |
| C5—C6—C15 | 127.0 (3) | C39—C40—H40B | 109.5 |
| C7—C6—Fe1 | 68.35 (19) | C39—C40—H40C | 109.5 |
| C7—C6—C15 | 125.4 (3) | H40A—C40—H40B | 109.5 |
| C15—C6—Fe1 | 131.2 (3) | H40A—C40—H40C | 109.5 |
| C6—C7—Fe1 | 71.02 (19) | H40B—C40—H40C | 109.5 |
| C6—C7—C21 | 122.3 (3) | C42—C41—N2 | 117.6 (4) |
| C8—C7—Fe1 | 72.8 (2) | C42—C41—C47 | 123.1 (4) |
| C8—C7—C6 | 109.0 (3) | C47—C41—N2 | 119.1 (4) |
| C8—C7—C21 | 128.1 (3) | C41—C42—C43 | 121.4 (4) |
| C21—C7—Fe1 | 129.3 (2) | C44—C42—C41 | 117.5 (4) |
| C4—C8—Fe1 | 79.0 (2) | C44—C42—C43 | 121.1 (4) |
| C7—C8—Fe1 | 67.4 (2) | C42—C43—H43A | 109.5 |
| C7—C8—C4 | 108.1 (3) | C42—C43—H43B | 109.5 |
| C7—C8—C27 | 125.8 (3) | C42—C43—H43C | 109.5 |
| C27—C8—Fe1 | 129.2 (3) | H43A—C43—H43B | 109.5 |
| C27—C8—C4 | 124.8 (3) | H43A—C43—H43C | 109.5 |
| C10—C9—C5 | 121.4 (3) | H43B—C43—H43C | 109.5 |
| C10—C9—C14 | 118.0 (3) | C42—C44—H44 | 119.8 |
| C14—C9—C5 | 120.6 (3) | C45—C44—C42 | 120.4 (4) |
| C9—C10—H10 | 119.4 | C45—C44—H44 | 119.8 |
| C9—C10—C11 | 121.1 (4) | C44—C45—H45 | 119.7 |
| C11—C10—H10 | 119.4 | C46—C45—C44 | 120.6 (5) |
| C10—C11—H11 | 119.9 | C46—C45—H45 | 119.7 |
| C12—C11—C10 | 120.3 (4) | C45—C46—H46 | 119.4 |
| C12—C11—H11 | 119.9 | C45—C46—C47 | 121.1 (5) |
| C11—C12—H12 | 120.3 | C47—C46—H46 | 119.4 |
| C11—C12—C13 | 119.4 (3) | C41—C47—C48 | 119.8 (4) |
| C13—C12—H12 | 120.3 | C46—C47—C41 | 117.3 (4) |
| C12—C13—H13 | 119.9 | C46—C47—C48 | 122.9 (5) |
| C14—C13—C12 | 120.2 (4) | C47—C48—H48A | 109.5 |
| C14—C13—H13 | 119.9 | C47—C48—H48B | 109.5 |
| C9—C14—H14 | 119.5 | C47—C48—H48C | 109.5 |
| C13—C14—C9 | 121.1 (4) | H48A—C48—H48B | 109.5 |
| C13—C14—H14 | 119.5 | H48A—C48—H48C | 109.5 |
| C16—C15—C6 | 123.4 (3) | H48B—C48—H48C | 109.5 |
| C16—C15—C20 | 118.0 (4) | N3—C49—C55 | 117.9 (3) |
| C20—C15—C6 | 118.4 (3) | C50—C49—N3 | 118.5 (4) |
| C15—C16—H16 | 119.4 | C50—C49—C55 | 123.5 (3) |
| C17—C16—C15 | 121.1 (4) | C49—C50—C51 | 120.1 (3) |
| C17—C16—H16 | 119.4 | C49—C50—C52 | 117.2 (4) |
| C16—C17—H17 | 119.8 | C52—C50—C51 | 122.7 (4) |
| C18—C17—C16 | 120.4 (4) | C50—C51—H51A | 109.5 |
| C18—C17—H17 | 119.8 | C50—C51—H51B | 109.5 |
| C17—C18—H18 | 120.4 | C50—C51—H51C | 109.5 |
| C17—C18—C19 | 119.2 (4) | H51A—C51—H51B | 109.5 |
| C19—C18—H18 | 120.4 | H51A—C51—H51C | 109.5 |
| C18—C19—H19 | 119.7 | H51B—C51—H51C | 109.5 |
| C20—C19—C18 | 120.6 (4) | C50—C52—H52 | 119.6 |
| C20—C19—H19 | 119.7 | C53—C52—C50 | 120.7 (4) |
| C15—C20—H20 | 119.7 | C53—C52—H52 | 119.6 |
| C19—C20—C15 | 120.6 (4) | C52—C53—H53 | 119.7 |
| C19—C20—H20 | 119.7 | C54—C53—C52 | 120.5 (4) |
| C22—C21—C7 | 121.6 (3) | C54—C53—H53 | 119.7 |
| C26—C21—C7 | 119.3 (3) | C53—C54—H54 | 119.4 |
| C26—C21—C22 | 118.8 (3) | C53—C54—C55 | 121.3 (4) |
| C21—C22—H22 | 119.6 | C55—C54—H54 | 119.4 |
| C23—C22—C21 | 120.7 (4) | C49—C55—C56 | 120.8 (4) |
| C23—C22—H22 | 119.6 | C54—C55—C49 | 116.7 (4) |
| C22—C23—H23 | 120.1 | C54—C55—C56 | 122.4 (4) |
| C22—C23—C24 | 119.8 (4) | C55—C56—H56A | 109.5 |
| C24—C23—H23 | 120.1 | C55—C56—H56B | 109.5 |
| C23—C24—H24 | 120.2 | C55—C56—H56C | 109.5 |
| C25—C24—C23 | 119.7 (4) | H56A—C56—H56B | 109.5 |
| C25—C24—H24 | 120.2 | H56A—C56—H56C | 109.5 |
| C24—C25—H25 | 119.9 | H56B—C56—H56C | 109.5 |
| Fe1—C4—C5—C6 | 63.3 (2) | C7—C21—C26—C25 | 173.5 (3) |
| Fe1—C4—C5—C9 | −132.0 (3) | C8—C4—C5—Fe1 | −48.3 (2) |
| Fe1—C4—C8—C7 | −61.6 (2) | C8—C4—C5—C6 | 15.0 (3) |
| Fe1—C4—C8—C27 | 130.5 (4) | C8—C4—C5—C9 | 179.7 (3) |
| Fe1—C5—C6—C7 | 59.1 (2) | C8—C7—C21—C22 | −132.2 (4) |
| Fe1—C5—C6—C15 | −128.0 (4) | C8—C7—C21—C26 | 53.1 (5) |
| Fe1—C5—C9—C10 | −51.3 (6) | C8—C27—C28—C29 | −173.0 (4) |
| Fe1—C5—C9—C14 | 131.7 (4) | C8—C27—C32—C31 | 174.1 (4) |
| Fe1—C6—C7—C8 | 63.3 (2) | C9—C5—C6—Fe1 | 125.9 (3) |
| Fe1—C6—C7—C21 | −125.1 (3) | C9—C5—C6—C7 | −175.0 (3) |
| Fe1—C6—C15—C16 | −49.1 (5) | C9—C5—C6—C15 | −2.1 (6) |
| Fe1—C6—C15—C20 | 135.7 (3) | C9—C10—C11—C12 | −0.4 (6) |
| Fe1—C7—C8—C4 | 69.3 (2) | C10—C9—C14—C13 | 0.9 (6) |
| Fe1—C7—C8—C27 | −122.9 (4) | C10—C11—C12—C13 | 1.2 (6) |
| Fe1—C7—C21—C22 | −33.2 (5) | C11—C12—C13—C14 | −1.0 (6) |
| Fe1—C7—C21—C26 | 152.1 (3) | C12—C13—C14—C9 | −0.1 (6) |
| Fe1—C8—C27—C28 | −61.0 (5) | C14—C9—C10—C11 | −0.7 (6) |
| Fe1—C8—C27—C32 | 122.9 (4) | C15—C6—C7—Fe1 | 126.0 (3) |
| O1—C4—C5—Fe1 | 127.5 (4) | C15—C6—C7—C8 | −170.7 (3) |
| O1—C4—C5—C6 | −169.2 (4) | C15—C6—C7—C21 | 0.9 (5) |
| O1—C4—C5—C9 | −4.5 (5) | C15—C16—C17—C18 | 2.3 (5) |
| O1—C4—C8—Fe1 | −127.4 (4) | C16—C15—C20—C19 | 0.2 (5) |
| O1—C4—C8—C7 | 171.0 (4) | C16—C17—C18—C19 | 0.0 (5) |
| O1—C4—C8—C27 | 3.0 (6) | C17—C18—C19—C20 | −2.2 (6) |
| N1—C33—C34—C35 | −1.1 (5) | C18—C19—C20—C15 | 2.1 (5) |
| N1—C33—C34—C36 | 179.6 (3) | C20—C15—C16—C17 | −2.3 (5) |
| N1—C33—C39—C38 | −178.8 (3) | C21—C7—C8—Fe1 | 126.9 (4) |
| N1—C33—C39—C40 | 0.6 (5) | C21—C7—C8—C4 | −163.8 (3) |
| N2—C41—C42—C43 | 4.5 (6) | C21—C7—C8—C27 | 3.9 (6) |
| N2—C41—C42—C44 | −173.3 (4) | C21—C22—C23—C24 | −0.3 (6) |
| N2—C41—C47—C46 | 172.8 (4) | C22—C21—C26—C25 | −1.3 (5) |
| N2—C41—C47—C48 | −4.5 (6) | C22—C23—C24—C25 | −1.6 (6) |
| N3—C49—C50—C51 | −1.5 (5) | C23—C24—C25—C26 | 2.1 (6) |
| N3—C49—C50—C52 | 177.1 (3) | C24—C25—C26—C21 | −0.6 (6) |
| N3—C49—C55—C54 | −178.9 (4) | C26—C21—C22—C23 | 1.8 (6) |
| N3—C49—C55—C56 | −2.1 (6) | C27—C28—C29—C30 | −2.1 (6) |
| C2—N2—C41—C42 | 101.2 (11) | C28—C27—C32—C31 | −2.1 (6) |
| C2—N2—C41—C47 | −74.3 (12) | C28—C29—C30—C31 | −0.4 (7) |
| C3—N3—C49—C50 | −175.2 (11) | C29—C30—C31—C32 | 1.5 (7) |
| C3—N3—C49—C55 | 2.9 (14) | C30—C31—C32—C27 | −0.2 (7) |
| C4—C5—C6—Fe1 | −70.2 (2) | C32—C27—C28—C29 | 3.3 (6) |
| C4—C5—C6—C7 | −11.1 (4) | C33—C34—C36—C37 | −1.3 (5) |
| C4—C5—C6—C15 | 161.8 (3) | C34—C33—C39—C38 | 0.5 (5) |
| C4—C5—C9—C10 | 53.9 (5) | C34—C33—C39—C40 | 179.9 (4) |
| C4—C5—C9—C14 | −123.1 (4) | C34—C36—C37—C38 | 1.4 (6) |
| C4—C8—C27—C28 | −166.6 (3) | C35—C34—C36—C37 | 179.4 (4) |
| C4—C8—C27—C32 | 17.3 (6) | C36—C37—C38—C39 | −0.5 (6) |
| C5—C4—C8—Fe1 | 48.2 (2) | C37—C38—C39—C33 | −0.4 (5) |
| C5—C4—C8—C7 | −13.4 (4) | C37—C38—C39—C40 | −179.8 (4) |
| C5—C4—C8—C27 | 178.7 (3) | C39—C33—C34—C35 | 179.7 (4) |
| C5—C6—C7—Fe1 | −60.9 (2) | C39—C33—C34—C36 | 0.3 (5) |
| C5—C6—C7—C8 | 2.4 (4) | C41—C42—C44—C45 | −0.2 (6) |
| C5—C6—C7—C21 | 173.9 (3) | C42—C41—C47—C46 | −2.5 (6) |
| C5—C6—C15—C16 | 48.0 (5) | C42—C41—C47—C48 | −179.8 (4) |
| C5—C6—C15—C20 | −127.2 (4) | C42—C44—C45—C46 | −1.1 (7) |
| C5—C9—C10—C11 | −177.7 (4) | C43—C42—C44—C45 | −178.0 (4) |
| C5—C9—C14—C13 | 178.0 (4) | C44—C45—C46—C47 | 0.7 (7) |
| C6—C5—C9—C10 | −144.1 (4) | C45—C46—C47—C41 | 1.1 (7) |
| C6—C5—C9—C14 | 38.8 (5) | C45—C46—C47—C48 | 178.3 (5) |
| C6—C7—C8—Fe1 | −62.2 (2) | C47—C41—C42—C43 | 179.8 (4) |
| C6—C7—C8—C4 | 7.1 (4) | C47—C41—C42—C44 | 2.1 (6) |
| C6—C7—C8—C27 | 174.9 (3) | C49—C50—C52—C53 | 2.3 (5) |
| C6—C7—C21—C22 | 58.0 (5) | C50—C49—C55—C54 | −0.9 (6) |
| C6—C7—C21—C26 | −116.8 (4) | C50—C49—C55—C56 | 176.0 (4) |
| C6—C15—C16—C17 | −177.6 (3) | C50—C52—C53—C54 | −1.8 (6) |
| C6—C15—C20—C19 | 175.7 (3) | C51—C50—C52—C53 | −179.2 (4) |
| C7—C6—C15—C16 | −140.3 (4) | C52—C53—C54—C55 | −0.2 (6) |
| C7—C6—C15—C20 | 44.5 (5) | C53—C54—C55—C49 | 1.4 (6) |
| C7—C8—C27—C28 | 27.6 (6) | C53—C54—C55—C56 | −175.3 (4) |
| C7—C8—C27—C32 | −148.5 (4) | C55—C49—C50—C51 | −179.6 (4) |
| C7—C21—C22—C23 | −173.0 (3) | C55—C49—C50—C52 | −1.0 (5) |