C1—C6 | 1.384 (4) | C12—Fe1 | 2.035 (3) |
C1—C2 | 1.396 (3) | C13—C14 | 1.416 (4) |
C1—C7 | 1.519 (3) | C13—Fe1 | 2.044 (3) |
C2—C3 | 1.389 (4) | C13—H13 | 0.9300 |
C2—N1 | 1.472 (4) | C14—C15 | 1.407 (4) |
C3—C4 | 1.362 (5) | C14—Fe1 | 2.051 (3) |
C3—H3 | 0.9300 | C14—H14 | 0.9300 |
C4—C5 | 1.374 (4) | C15—C16 | 1.411 (4) |
C4—H4 | 0.9300 | C15—Fe1 | 2.034 (3) |
C5—C6 | 1.385 (4) | C15—H15 | 0.9300 |
C5—H5 | 0.9300 | C16—Fe1 | 2.016 (3) |
C6—H6 | 0.9300 | C16—H16 | 0.9300 |
C7—N2 | 1.478 (3) | C17—C21 | 1.389 (4) |
C7—C8 | 1.536 (3) | C17—C18 | 1.403 (5) |
C7—H7 | 0.9800 | C17—Fe1 | 2.047 (3) |
C8—C9 | 1.499 (3) | C17—H17 | 0.9300 |
C8—H8A | 0.9700 | C18—C19 | 1.428 (5) |
C8—H8B | 0.9700 | C18—Fe1 | 2.033 (3) |
C9—N3 | 1.284 (3) | C18—H18 | 0.9300 |
C9—C12 | 1.456 (4) | C19—C20 | 1.390 (4) |
C10—O3 | 1.219 (3) | C19—Fe1 | 2.036 (3) |
C10—N2 | 1.353 (3) | C19—H19 | 0.9300 |
C10—C11 | 1.506 (4) | C20—C21 | 1.398 (4) |
C11—H11A | 0.9600 | C20—Fe1 | 2.035 (3) |
C11—H11B | 0.9600 | C20—H20 | 0.9300 |
C11—H11C | 0.9600 | C21—Fe1 | 2.045 (3) |
C11—H11D | 0.9600 | C21—H21 | 0.9300 |
C11—H11E | 0.9600 | N1—O1 | 1.206 (3) |
C11—H11F | 0.9600 | N1—O2 | 1.221 (3) |
C12—C16 | 1.424 (4) | N2—N3 | 1.405 (3) |
C12—C13 | 1.434 (4) | ||
C6—C1—C2 | 115.7 (2) | C12—C16—H16 | 125.9 |
C6—C1—C7 | 120.9 (2) | Fe1—C16—H16 | 125.2 |
C2—C1—C7 | 123.3 (2) | C21—C17—C18 | 108.0 (3) |
C3—C2—C1 | 122.4 (3) | C21—C17—Fe1 | 70.08 (17) |
C3—C2—N1 | 116.3 (3) | C18—C17—Fe1 | 69.33 (18) |
C1—C2—N1 | 121.3 (2) | C21—C17—H17 | 126.0 |
C4—C3—C2 | 119.8 (3) | C18—C17—H17 | 126.0 |
C4—C3—H3 | 120.1 | Fe1—C17—H17 | 126.1 |
C2—C3—H3 | 120.1 | C17—C18—C19 | 107.6 (3) |
C3—C4—C5 | 119.6 (3) | C17—C18—Fe1 | 70.44 (18) |
C3—C4—H4 | 120.2 | C19—C18—Fe1 | 69.60 (18) |
C5—C4—H4 | 120.2 | C17—C18—H18 | 126.2 |
C4—C5—C6 | 120.2 (3) | C19—C18—H18 | 126.2 |
C4—C5—H5 | 119.9 | Fe1—C18—H18 | 125.4 |
C6—C5—H5 | 119.9 | C20—C19—C18 | 107.2 (3) |
C1—C6—C5 | 122.2 (3) | C20—C19—Fe1 | 70.00 (17) |
C1—C6—H6 | 118.9 | C18—C19—Fe1 | 69.32 (17) |
C5—C6—H6 | 118.9 | C20—C19—H19 | 126.4 |
N2—C7—C1 | 112.7 (2) | C18—C19—H19 | 126.4 |
N2—C7—C8 | 101.87 (19) | Fe1—C19—H19 | 125.8 |
C1—C7—C8 | 112.7 (2) | C19—C20—C21 | 108.6 (3) |
N2—C7—H7 | 109.8 | C19—C20—Fe1 | 70.08 (16) |
C1—C7—H7 | 109.8 | C21—C20—Fe1 | 70.33 (16) |
C8—C7—H7 | 109.8 | C19—C20—H20 | 125.7 |
C9—C8—C7 | 102.7 (2) | C21—C20—H20 | 125.7 |
C9—C8—H8A | 111.2 | Fe1—C20—H20 | 125.5 |
C7—C8—H8A | 111.2 | C17—C21—C20 | 108.6 (3) |
C9—C8—H8B | 111.2 | C17—C21—Fe1 | 70.24 (16) |
C7—C8—H8B | 111.2 | C20—C21—Fe1 | 69.58 (16) |
H8A—C8—H8B | 109.1 | C17—C21—H21 | 125.7 |
N3—C9—C12 | 122.1 (2) | C20—C21—H21 | 125.7 |
N3—C9—C8 | 114.8 (2) | Fe1—C21—H21 | 126.1 |
C12—C9—C8 | 123.1 (2) | O1—N1—O2 | 122.3 (3) |
O3—C10—N2 | 120.0 (2) | O1—N1—C2 | 119.8 (2) |
O3—C10—C11 | 123.3 (3) | O2—N1—C2 | 117.9 (3) |
N2—C10—C11 | 116.7 (3) | C10—N2—N3 | 122.3 (2) |
C10—C11—H11A | 109.5 | C10—N2—C7 | 123.1 (2) |
C10—C11—H11B | 109.5 | N3—N2—C7 | 112.77 (19) |
H11A—C11—H11B | 109.5 | C9—N3—N2 | 107.67 (19) |
C10—C11—H11C | 109.5 | C16—Fe1—C18 | 122.47 (13) |
H11A—C11—H11C | 109.5 | C16—Fe1—C15 | 40.78 (12) |
H11B—C11—H11C | 109.5 | C18—Fe1—C15 | 108.04 (13) |
C10—C11—H11D | 109.5 | C16—Fe1—C12 | 41.17 (11) |
H11A—C11—H11D | 141.1 | C18—Fe1—C12 | 158.50 (14) |
H11B—C11—H11D | 56.3 | C15—Fe1—C12 | 68.71 (11) |
H11C—C11—H11D | 56.3 | C16—Fe1—C20 | 120.16 (13) |
C10—C11—H11E | 109.5 | C18—Fe1—C20 | 67.76 (12) |
H11A—C11—H11E | 56.3 | C15—Fe1—C20 | 156.25 (14) |
H11B—C11—H11E | 141.1 | C12—Fe1—C20 | 106.19 (11) |
H11C—C11—H11E | 56.3 | C16—Fe1—C19 | 105.08 (13) |
H11D—C11—H11E | 109.5 | C18—Fe1—C19 | 41.08 (13) |
C10—C11—H11F | 109.5 | C15—Fe1—C19 | 121.42 (14) |
H11A—C11—H11F | 56.3 | C12—Fe1—C19 | 121.10 (13) |
H11B—C11—H11F | 56.3 | C20—Fe1—C19 | 39.92 (12) |
H11C—C11—H11F | 141.1 | C16—Fe1—C13 | 68.97 (12) |
H11D—C11—H11F | 109.5 | C18—Fe1—C13 | 159.13 (14) |
H11E—C11—H11F | 109.5 | C15—Fe1—C13 | 68.14 (12) |
C16—C12—C13 | 107.0 (2) | C12—Fe1—C13 | 41.18 (11) |
C16—C12—C9 | 127.6 (3) | C20—Fe1—C13 | 124.17 (12) |
C13—C12—C9 | 125.1 (2) | C19—Fe1—C13 | 158.78 (13) |
C16—C12—Fe1 | 68.67 (15) | C16—Fe1—C21 | 156.74 (12) |
C13—C12—Fe1 | 69.73 (16) | C18—Fe1—C21 | 67.26 (13) |
C9—C12—Fe1 | 121.89 (18) | C15—Fe1—C21 | 161.94 (14) |
C14—C13—C12 | 108.0 (3) | C12—Fe1—C21 | 122.28 (12) |
C14—C13—Fe1 | 70.04 (17) | C20—Fe1—C21 | 40.08 (12) |
C12—C13—Fe1 | 69.09 (15) | C19—Fe1—C21 | 67.40 (13) |
C14—C13—H13 | 126.0 | C13—Fe1—C21 | 109.62 (12) |
C12—C13—H13 | 126.0 | C16—Fe1—C17 | 160.09 (13) |
Fe1—C13—H13 | 126.5 | C18—Fe1—C17 | 40.24 (13) |
C15—C14—C13 | 108.1 (3) | C15—Fe1—C17 | 125.55 (13) |
C15—C14—Fe1 | 69.23 (17) | C12—Fe1—C17 | 158.46 (12) |
C13—C14—Fe1 | 69.50 (16) | C20—Fe1—C17 | 67.35 (12) |
C15—C14—H14 | 126.0 | C19—Fe1—C17 | 68.06 (14) |
C13—C14—H14 | 126.0 | C13—Fe1—C17 | 124.09 (13) |
Fe1—C14—H14 | 126.9 | C21—Fe1—C17 | 39.68 (12) |
C14—C15—C16 | 108.7 (3) | C16—Fe1—C14 | 68.53 (13) |
C14—C15—Fe1 | 70.50 (16) | C18—Fe1—C14 | 123.41 (13) |
C16—C15—Fe1 | 68.89 (15) | C15—Fe1—C14 | 40.27 (13) |
C14—C15—H15 | 125.6 | C12—Fe1—C14 | 68.73 (12) |
C16—C15—H15 | 125.6 | C20—Fe1—C14 | 161.46 (12) |
Fe1—C15—H15 | 126.5 | C19—Fe1—C14 | 158.08 (13) |
C15—C16—C12 | 108.2 (3) | C13—Fe1—C14 | 40.47 (11) |
C15—C16—Fe1 | 70.33 (16) | C21—Fe1—C14 | 126.43 (13) |
C12—C16—Fe1 | 70.16 (15) | C17—Fe1—C14 | 110.47 (13) |
C15—C16—H16 | 125.9 | ||
C6—C1—C2—C3 | 0.7 (4) | C16—C15—Fe1—C14 | −120.1 (3) |
C7—C1—C2—C3 | −177.3 (3) | C13—C12—Fe1—C16 | −118.6 (2) |
C6—C1—C2—N1 | 179.6 (3) | C9—C12—Fe1—C16 | 121.9 (3) |
C7—C1—C2—N1 | 1.7 (4) | C16—C12—Fe1—C18 | −47.3 (4) |
C1—C2—C3—C4 | −0.1 (5) | C13—C12—Fe1—C18 | −166.0 (3) |
N1—C2—C3—C4 | −179.1 (3) | C9—C12—Fe1—C18 | 74.6 (4) |
C2—C3—C4—C5 | 0.1 (5) | C16—C12—Fe1—C15 | 37.92 (18) |
C3—C4—C5—C6 | −0.7 (5) | C13—C12—Fe1—C15 | −80.71 (18) |
C2—C1—C6—C5 | −1.3 (4) | C9—C12—Fe1—C15 | 159.9 (3) |
C7—C1—C6—C5 | 176.7 (3) | C16—C12—Fe1—C20 | −117.56 (18) |
C4—C5—C6—C1 | 1.3 (5) | C13—C12—Fe1—C20 | 123.81 (17) |
C6—C1—C7—N2 | 19.3 (3) | C9—C12—Fe1—C20 | 4.4 (2) |
C2—C1—C7—N2 | −162.9 (2) | C16—C12—Fe1—C19 | −76.8 (2) |
C6—C1—C7—C8 | −95.4 (3) | C13—C12—Fe1—C19 | 164.57 (17) |
C2—C1—C7—C8 | 82.5 (3) | C9—C12—Fe1—C19 | 45.1 (3) |
N2—C7—C8—C9 | −3.4 (3) | C16—C12—Fe1—C13 | 118.6 (2) |
C1—C7—C8—C9 | 117.6 (2) | C9—C12—Fe1—C13 | −119.4 (3) |
C7—C8—C9—N3 | 3.9 (3) | C16—C12—Fe1—C21 | −158.19 (18) |
C7—C8—C9—C12 | −175.3 (2) | C13—C12—Fe1—C21 | 83.18 (18) |
N3—C9—C12—C16 | −6.5 (4) | C9—C12—Fe1—C21 | −36.3 (3) |
C8—C9—C12—C16 | 172.7 (3) | C16—C12—Fe1—C17 | 173.3 (3) |
N3—C9—C12—C13 | −179.4 (3) | C13—C12—Fe1—C17 | 54.7 (4) |
C8—C9—C12—C13 | −0.3 (4) | C9—C12—Fe1—C17 | −64.7 (4) |
N3—C9—C12—Fe1 | −93.0 (3) | C16—C12—Fe1—C14 | 81.28 (19) |
C8—C9—C12—Fe1 | 86.2 (3) | C13—C12—Fe1—C14 | −37.35 (16) |
C16—C12—C13—C14 | 0.7 (3) | C9—C12—Fe1—C14 | −156.8 (2) |
C9—C12—C13—C14 | 174.8 (3) | C19—C20—Fe1—C16 | 77.0 (2) |
Fe1—C12—C13—C14 | 59.4 (2) | C21—C20—Fe1—C16 | −163.69 (18) |
C16—C12—C13—Fe1 | −58.77 (19) | C19—C20—Fe1—C18 | −38.7 (2) |
C9—C12—C13—Fe1 | 115.4 (3) | C21—C20—Fe1—C18 | 80.6 (2) |
C12—C13—C14—C15 | −0.2 (3) | C19—C20—Fe1—C15 | 45.6 (4) |
Fe1—C13—C14—C15 | 58.6 (2) | C21—C20—Fe1—C15 | 165.0 (3) |
C12—C13—C14—Fe1 | −58.83 (19) | C19—C20—Fe1—C12 | 119.41 (19) |
C13—C14—C15—C16 | −0.4 (3) | C21—C20—Fe1—C12 | −121.23 (19) |
Fe1—C14—C15—C16 | 58.4 (2) | C21—C20—Fe1—C19 | 119.4 (3) |
C13—C14—C15—Fe1 | −58.8 (2) | C19—C20—Fe1—C13 | 160.80 (19) |
C14—C15—C16—C12 | 0.8 (3) | C21—C20—Fe1—C13 | −79.8 (2) |
Fe1—C15—C16—C12 | 60.21 (19) | C19—C20—Fe1—C21 | −119.4 (3) |
C14—C15—C16—Fe1 | −59.4 (2) | C19—C20—Fe1—C17 | −82.4 (2) |
C13—C12—C16—C15 | −0.9 (3) | C21—C20—Fe1—C17 | 36.95 (19) |
C9—C12—C16—C15 | −174.8 (3) | C19—C20—Fe1—C14 | −169.4 (4) |
Fe1—C12—C16—C15 | −60.3 (2) | C21—C20—Fe1—C14 | −50.0 (5) |
C13—C12—C16—Fe1 | 59.44 (19) | C20—C19—Fe1—C16 | −119.27 (19) |
C9—C12—C16—Fe1 | −114.5 (3) | C18—C19—Fe1—C16 | 122.48 (19) |
C21—C17—C18—C19 | −0.3 (4) | C20—C19—Fe1—C18 | 118.2 (3) |
Fe1—C17—C18—C19 | −59.9 (2) | C20—C19—Fe1—C15 | −160.29 (19) |
C21—C17—C18—Fe1 | 59.7 (2) | C18—C19—Fe1—C15 | 81.5 (2) |
C17—C18—C19—C20 | 0.4 (3) | C20—C19—Fe1—C12 | −77.7 (2) |
Fe1—C18—C19—C20 | −60.0 (2) | C18—C19—Fe1—C12 | 164.07 (18) |
C17—C18—C19—Fe1 | 60.4 (2) | C18—C19—Fe1—C20 | −118.2 (3) |
C18—C19—C20—C21 | −0.4 (3) | C20—C19—Fe1—C13 | −48.7 (4) |
Fe1—C19—C20—C21 | −60.0 (2) | C18—C19—Fe1—C13 | −167.0 (3) |
C18—C19—C20—Fe1 | 59.6 (2) | C20—C19—Fe1—C21 | 37.44 (19) |
C18—C17—C21—C20 | 0.0 (4) | C18—C19—Fe1—C21 | −80.8 (2) |
Fe1—C17—C21—C20 | 59.2 (2) | C20—C19—Fe1—C17 | 80.5 (2) |
C18—C17—C21—Fe1 | −59.2 (2) | C18—C19—Fe1—C17 | −37.78 (19) |
C19—C20—C21—C17 | 0.2 (3) | C20—C19—Fe1—C14 | 171.0 (3) |
Fe1—C20—C21—C17 | −59.6 (2) | C18—C19—Fe1—C14 | 52.7 (4) |
C19—C20—C21—Fe1 | 59.9 (2) | C14—C13—Fe1—C16 | −81.2 (2) |
C3—C2—N1—O1 | 161.2 (3) | C12—C13—Fe1—C16 | 38.25 (15) |
C1—C2—N1—O1 | −17.8 (4) | C14—C13—Fe1—C18 | 46.1 (4) |
C3—C2—N1—O2 | −18.3 (4) | C12—C13—Fe1—C18 | 165.5 (3) |
C1—C2—N1—O2 | 162.7 (3) | C14—C13—Fe1—C15 | −37.22 (19) |
O3—C10—N2—N3 | −176.0 (2) | C12—C13—Fe1—C15 | 82.21 (17) |
C11—C10—N2—N3 | 5.6 (4) | C14—C13—Fe1—C12 | −119.4 (2) |
O3—C10—N2—C7 | −12.4 (4) | C14—C13—Fe1—C20 | 165.90 (19) |
C11—C10—N2—C7 | 169.3 (2) | C12—C13—Fe1—C20 | −74.68 (19) |
C1—C7—N2—C10 | 76.4 (3) | C14—C13—Fe1—C19 | −158.4 (3) |
C8—C7—N2—C10 | −162.6 (2) | C12—C13—Fe1—C19 | −39.0 (4) |
C1—C7—N2—N3 | −118.6 (2) | C14—C13—Fe1—C21 | 123.6 (2) |
C8—C7—N2—N3 | 2.4 (3) | C12—C13—Fe1—C21 | −116.97 (16) |
C12—C9—N3—N2 | 176.7 (2) | C14—C13—Fe1—C17 | 81.8 (2) |
C8—C9—N3—N2 | −2.5 (3) | C12—C13—Fe1—C17 | −158.78 (15) |
C10—N2—N3—C9 | 165.0 (2) | C12—C13—Fe1—C14 | 119.4 (2) |
C7—N2—N3—C9 | −0.1 (3) | C17—C21—Fe1—C16 | 157.6 (3) |
C15—C16—Fe1—C18 | −79.9 (2) | C20—C21—Fe1—C16 | 37.9 (4) |
C12—C16—Fe1—C18 | 161.37 (17) | C17—C21—Fe1—C18 | 37.7 (2) |
C12—C16—Fe1—C15 | −118.8 (3) | C20—C21—Fe1—C18 | −82.0 (2) |
C15—C16—Fe1—C12 | 118.8 (3) | C17—C21—Fe1—C15 | −40.6 (5) |
C15—C16—Fe1—C20 | −161.29 (19) | C20—C21—Fe1—C15 | −160.3 (4) |
C12—C16—Fe1—C20 | 80.0 (2) | C17—C21—Fe1—C12 | −164.09 (19) |
C15—C16—Fe1—C19 | −120.9 (2) | C20—C21—Fe1—C12 | 76.2 (2) |
C12—C16—Fe1—C19 | 120.30 (18) | C17—C21—Fe1—C20 | 119.7 (3) |
C15—C16—Fe1—C13 | 80.5 (2) | C17—C21—Fe1—C19 | 82.4 (2) |
C12—C16—Fe1—C13 | −38.25 (16) | C20—C21—Fe1—C19 | −37.29 (18) |
C15—C16—Fe1—C21 | 171.5 (3) | C17—C21—Fe1—C13 | −120.1 (2) |
C12—C16—Fe1—C21 | 52.7 (4) | C20—C21—Fe1—C13 | 120.17 (19) |
C15—C16—Fe1—C17 | −54.1 (5) | C20—C21—Fe1—C17 | −119.7 (3) |
C12—C16—Fe1—C17 | −172.8 (3) | C17—C21—Fe1—C14 | −77.9 (2) |
C15—C16—Fe1—C14 | 36.94 (19) | C20—C21—Fe1—C14 | 162.37 (18) |
C12—C16—Fe1—C14 | −81.82 (18) | C21—C17—Fe1—C16 | −153.8 (3) |
C17—C18—Fe1—C16 | 166.73 (17) | C18—C17—Fe1—C16 | −34.7 (5) |
C19—C18—Fe1—C16 | −74.9 (2) | C21—C17—Fe1—C18 | −119.2 (3) |
C17—C18—Fe1—C15 | 124.18 (19) | C21—C17—Fe1—C15 | 165.6 (2) |
C19—C18—Fe1—C15 | −117.4 (2) | C18—C17—Fe1—C15 | −75.2 (2) |
C17—C18—Fe1—C12 | −158.3 (3) | C21—C17—Fe1—C12 | 39.1 (4) |
C19—C18—Fe1—C12 | −39.9 (4) | C18—C17—Fe1—C12 | 158.3 (3) |
C17—C18—Fe1—C20 | −80.74 (19) | C21—C17—Fe1—C20 | −37.31 (18) |
C19—C18—Fe1—C20 | 37.64 (18) | C18—C17—Fe1—C20 | 81.9 (2) |
C17—C18—Fe1—C19 | −118.4 (3) | C21—C17—Fe1—C19 | −80.6 (2) |
C17—C18—Fe1—C13 | 48.4 (4) | C18—C17—Fe1—C19 | 38.56 (18) |
C19—C18—Fe1—C13 | 166.8 (3) | C21—C17—Fe1—C13 | 79.6 (2) |
C17—C18—Fe1—C21 | −37.20 (18) | C18—C17—Fe1—C13 | −161.24 (18) |
C19—C18—Fe1—C21 | 81.2 (2) | C18—C17—Fe1—C21 | 119.2 (3) |
C19—C18—Fe1—C17 | 118.4 (3) | C21—C17—Fe1—C14 | 122.9 (2) |
C17—C18—Fe1—C14 | 82.5 (2) | C18—C17—Fe1—C14 | −118.0 (2) |
C19—C18—Fe1—C14 | −159.15 (19) | C15—C14—Fe1—C16 | −37.39 (18) |
C14—C15—Fe1—C16 | 120.1 (3) | C13—C14—Fe1—C16 | 82.35 (19) |
C14—C15—Fe1—C18 | −120.8 (2) | C15—C14—Fe1—C18 | 78.2 (2) |
C16—C15—Fe1—C18 | 119.1 (2) | C13—C14—Fe1—C18 | −162.08 (19) |
C14—C15—Fe1—C12 | 81.82 (19) | C13—C14—Fe1—C15 | 119.7 (3) |
C16—C15—Fe1—C12 | −38.28 (18) | C15—C14—Fe1—C12 | −81.75 (19) |
C14—C15—Fe1—C20 | 163.6 (3) | C13—C14—Fe1—C12 | 37.98 (17) |
C16—C15—Fe1—C20 | 43.5 (4) | C15—C14—Fe1—C20 | −159.1 (4) |
C14—C15—Fe1—C19 | −163.88 (18) | C13—C14—Fe1—C20 | −39.3 (5) |
C16—C15—Fe1—C19 | 76.0 (2) | C15—C14—Fe1—C19 | 39.4 (4) |
C14—C15—Fe1—C13 | 37.39 (18) | C13—C14—Fe1—C19 | 159.1 (3) |
C16—C15—Fe1—C13 | −82.7 (2) | C15—C14—Fe1—C13 | −119.7 (3) |
C14—C15—Fe1—C21 | −49.0 (5) | C15—C14—Fe1—C21 | 163.10 (19) |
C16—C15—Fe1—C21 | −169.1 (4) | C13—C14—Fe1—C21 | −77.2 (2) |
C14—C15—Fe1—C17 | −79.7 (2) | C15—C14—Fe1—C17 | 121.3 (2) |
C16—C15—Fe1—C17 | 160.19 (19) | C13—C14—Fe1—C17 | −118.96 (19) |