| C1—N1 | 1.315 (4) | C8—H9 | 0.9800 |
| C1—N2 | 1.337 (5) | C8—H10 | 0.9800 |
| C1—C2 | 1.435 (5) | C9—H11 | 0.9800 |
| C2—C3 | 1.193 (5) | C9—H12 | 0.9800 |
| C3—C4 | 1.429 (5) | C9—H13 | 0.9800 |
| C4—C5 | 1.497 (6) | C10—N2 | 1.470 (4) |
| C4—C6 | 1.498 (6) | C10—C11 | 1.493 (6) |
| C4—H2 | 1.0000 | C10—C12 | 1.497 (6) |
| C5—C6 | 1.467 (7) | C10—H14 | 1.0000 |
| C5—H4 | 0.9900 | C11—H15 | 0.9800 |
| C5—H3 | 0.9900 | C11—H16 | 0.9800 |
| C6—H5 | 0.9900 | C11—H17 | 0.9800 |
| C6—H6 | 0.9900 | C12—H18 | 0.9800 |
| C7—N1 | 1.477 (5) | C12—H19 | 0.9800 |
| C7—C8 | 1.514 (6) | C12—H20 | 0.9800 |
| C7—C9 | 1.515 (6) | Cl—Fe | 2.3139 (10) |
| C7—H7 | 1.0000 | N1—Fe | 2.088 (3) |
| C8—H8 | 0.9800 | N2—H1 | 0.87 (2) |
| N1—C1—N2 | 121.8 (3) | C7—C9—H12 | 109.5 |
| N1—C1—C2 | 122.1 (3) | H11—C9—H12 | 109.5 |
| N2—C1—C2 | 116.1 (3) | C7—C9—H13 | 109.5 |
| C3—C2—C1 | 177.6 (4) | H11—C9—H13 | 109.5 |
| C2—C3—C4 | 177.3 (4) | H12—C9—H13 | 109.5 |
| C3—C4—C5 | 120.6 (4) | N2—C10—C11 | 110.8 (4) |
| C3—C4—C6 | 120.3 (4) | N2—C10—C12 | 108.7 (3) |
| C5—C4—C6 | 58.6 (3) | C11—C10—C12 | 112.0 (4) |
| C3—C4—H2 | 115.2 | N2—C10—H14 | 108.4 |
| C5—C4—H2 | 115.2 | C11—C10—H14 | 108.4 |
| C6—C4—H2 | 115.2 | C12—C10—H14 | 108.4 |
| C6—C5—C4 | 60.7 (3) | C10—C11—H15 | 109.5 |
| C6—C5—H4 | 117.7 | C10—C11—H16 | 109.5 |
| C4—C5—H4 | 117.7 | H15—C11—H16 | 109.5 |
| C6—C5—H3 | 117.7 | C10—C11—H17 | 109.5 |
| C4—C5—H3 | 117.7 | H15—C11—H17 | 109.5 |
| H4—C5—H3 | 114.8 | H16—C11—H17 | 109.5 |
| C5—C6—C4 | 60.7 (3) | C10—C12—H18 | 109.5 |
| C5—C6—H5 | 117.7 | C10—C12—H19 | 109.5 |
| C4—C6—H5 | 117.7 | H18—C12—H19 | 109.5 |
| C5—C6—H6 | 117.7 | C10—C12—H20 | 109.5 |
| C4—C6—H6 | 117.7 | H18—C12—H20 | 109.5 |
| H5—C6—H6 | 114.8 | H19—C12—H20 | 109.5 |
| N1—C7—C8 | 110.2 (3) | C1—N1—C7 | 116.9 (3) |
| N1—C7—C9 | 110.1 (3) | C1—N1—Fe | 125.7 (2) |
| C8—C7—C9 | 111.6 (4) | C7—N1—Fe | 117.4 (2) |
| N1—C7—H7 | 108.3 | C1—N2—C10 | 126.2 (3) |
| C8—C7—H7 | 108.3 | C1—N2—H1 | 115 (3) |
| C9—C7—H7 | 108.3 | C10—N2—H1 | 118 (3) |
| C7—C8—H8 | 109.5 | N1i—Fe—N1 | 112.13 (17) |
| C7—C8—H9 | 109.5 | N1i—Fe—Cl | 113.06 (9) |
| H8—C8—H9 | 109.5 | N1—Fe—Cl | 108.42 (8) |
| C7—C8—H10 | 109.5 | N1i—Fe—Cli | 108.42 (8) |
| H8—C8—H10 | 109.5 | N1—Fe—Cli | 113.06 (9) |
| H9—C8—H10 | 109.5 | Cl—Fe—Cli | 101.32 (6) |
| C7—C9—H11 | 109.5 | ||
| C3—C4—C5—C6 | −109.0 (5) | C9—C7—N1—C1 | 137.1 (4) |
| C3—C4—C6—C5 | 109.5 (4) | C8—C7—N1—Fe | 80.4 (3) |
| N2—C1—N1—C7 | 175.2 (3) | C9—C7—N1—Fe | −43.2 (4) |
| C2—C1—N1—C7 | −4.4 (5) | N1—C1—N2—C10 | 168.1 (4) |
| N2—C1—N1—Fe | −4.5 (5) | C2—C1—N2—C10 | −12.3 (6) |
| C2—C1—N1—Fe | 175.9 (3) | C11—C10—N2—C1 | 102.8 (5) |
| C8—C7—N1—C1 | −99.4 (4) | C12—C10—N2—C1 | −133.6 (5) |