| C1—N1 | 1.309 (2) | C20—C21 | 1.192 (2) |
| C1—N2 | 1.340 (2) | C21—C22 | 1.430 (2) |
| C1—C2 | 1.442 (2) | C22—C23 | 1.508 (3) |
| C2—C3 | 1.192 (2) | C22—C24 | 1.520 (3) |
| C3—C4 | 1.432 (2) | C22—H30 | 1.0000 |
| C4—C6 | 1.508 (2) | C23—C24 | 1.483 (3) |
| C4—C5 | 1.512 (2) | C23—H31 | 0.9900 |
| C4—H2 | 1.0000 | C23—H32 | 0.9900 |
| C5—C6 | 1.486 (2) | C24—H33 | 0.9900 |
| C5—H3 | 0.9900 | C24—H34 | 0.9900 |
| C5—H4 | 0.9900 | C25—N3 | 1.479 (2) |
| C6—H5 | 0.9900 | C25—C26 | 1.523 (2) |
| C6—H6 | 0.9900 | C25—C30 | 1.524 (2) |
| C7—N1 | 1.480 (2) | C25—H35 | 1.0000 |
| C7—C12 | 1.518 (2) | C26—C27 | 1.523 (2) |
| C7—C8 | 1.526 (2) | C26—H36 | 0.9900 |
| C7—H7 | 1.0000 | C26—H37 | 0.9900 |
| C8—C9 | 1.526 (2) | C27—C28 | 1.524 (2) |
| C8—H8 | 0.9900 | C27—H38 | 0.9900 |
| C8—H9 | 0.9900 | C27—H39 | 0.9900 |
| C9—C10 | 1.525 (2) | C28—C29 | 1.522 (3) |
| C9—H10 | 0.9900 | C28—H40 | 0.9900 |
| C9—H11 | 0.9900 | C28—H41 | 0.9900 |
| C10—C11 | 1.519 (2) | C29—C30 | 1.527 (2) |
| C10—H12 | 0.9900 | C29—H42 | 0.9900 |
| C10—H13 | 0.9900 | C29—H43 | 0.9900 |
| C11—C12 | 1.523 (2) | C30—H44 | 0.9900 |
| C11—H14 | 0.9900 | C30—H45 | 0.9900 |
| C11—H15 | 0.9900 | C31—N4 | 1.462 (2) |
| C12—H16 | 0.9900 | C31—C36 | 1.521 (2) |
| C12—H17 | 0.9900 | C31—C32 | 1.525 (2) |
| C13—N2 | 1.462 (2) | C31—H46 | 1.0000 |
| C13—C14 | 1.520 (2) | C32—C33 | 1.526 (2) |
| C13—C18 | 1.526 (2) | C32—H47 | 0.9900 |
| C13—H18 | 1.0000 | C32—H48 | 0.9900 |
| C14—C15 | 1.529 (2) | C33—C34 | 1.518 (2) |
| C14—H19 | 0.9900 | C33—H49 | 0.9900 |
| C14—H20 | 0.9900 | C33—H50 | 0.9900 |
| C15—C16 | 1.521 (2) | C34—C35 | 1.522 (2) |
| C15—H21 | 0.9900 | C34—H51 | 0.9900 |
| C15—H22 | 0.9900 | C34—H52 | 0.9900 |
| C16—C17 | 1.523 (3) | C35—C36 | 1.531 (2) |
| C16—H23 | 0.9900 | C35—H53 | 0.9900 |
| C16—H24 | 0.9900 | C35—H54 | 0.9900 |
| C17—C18 | 1.526 (2) | C36—H55 | 0.9900 |
| C17—H25 | 0.9900 | C36—H56 | 0.9900 |
| C17—H26 | 0.9900 | N1—Fe | 2.0727 (15) |
| C18—H27 | 0.9900 | N2—H1 | 0.844 (15) |
| C18—H28 | 0.9900 | N3—Fe | 2.0795 (15) |
| C19—N3 | 1.310 (2) | N4—H29 | 0.847 (15) |
| C19—N4 | 1.342 (2) | Fe—Cl2 | 2.3009 (10) |
| C19—C20 | 1.442 (2) | Fe—Cl1 | 2.3147 (9) |
| N1—C1—N2 | 122.59 (15) | C23—C22—H30 | 116.1 |
| N1—C1—C2 | 121.70 (15) | C24—C22—H30 | 116.1 |
| N2—C1—C2 | 115.70 (14) | C24—C23—C22 | 61.07 (13) |
| C3—C2—C1 | 179.10 (18) | C24—C23—H31 | 117.7 |
| C2—C3—C4 | 179.02 (18) | C22—C23—H31 | 117.7 |
| C3—C4—C6 | 118.74 (14) | C24—C23—H32 | 117.7 |
| C3—C4—C5 | 119.09 (14) | C22—C23—H32 | 117.7 |
| C6—C4—C5 | 58.96 (11) | H31—C23—H32 | 114.8 |
| C3—C4—H2 | 116.0 | C23—C24—C22 | 60.26 (13) |
| C6—C4—H2 | 116.0 | C23—C24—H33 | 117.7 |
| C5—C4—H2 | 116.0 | C22—C24—H33 | 117.7 |
| C6—C5—C4 | 60.36 (11) | C23—C24—H34 | 117.7 |
| C6—C5—H3 | 117.7 | C22—C24—H34 | 117.7 |
| C4—C5—H3 | 117.7 | H33—C24—H34 | 114.9 |
| C6—C5—H4 | 117.7 | N3—C25—C26 | 110.16 (13) |
| C4—C5—H4 | 117.7 | N3—C25—C30 | 111.15 (13) |
| H3—C5—H4 | 114.9 | C26—C25—C30 | 111.04 (13) |
| C5—C6—C4 | 60.67 (11) | N3—C25—H35 | 108.1 |
| C5—C6—H5 | 117.7 | C26—C25—H35 | 108.1 |
| C4—C6—H5 | 117.7 | C30—C25—H35 | 108.1 |
| C5—C6—H6 | 117.7 | C27—C26—C25 | 111.50 (14) |
| C4—C6—H6 | 117.7 | C27—C26—H36 | 109.3 |
| H5—C6—H6 | 114.8 | C25—C26—H36 | 109.3 |
| N1—C7—C12 | 110.96 (13) | C27—C26—H37 | 109.3 |
| N1—C7—C8 | 110.50 (13) | C25—C26—H37 | 109.3 |
| C12—C7—C8 | 110.32 (13) | H36—C26—H37 | 108.0 |
| N1—C7—H7 | 108.3 | C26—C27—C28 | 110.96 (14) |
| C12—C7—H7 | 108.3 | C26—C27—H38 | 109.4 |
| C8—C7—H7 | 108.3 | C28—C27—H38 | 109.4 |
| C7—C8—C9 | 110.96 (14) | C26—C27—H39 | 109.4 |
| C7—C8—H8 | 109.4 | C28—C27—H39 | 109.4 |
| C9—C8—H8 | 109.4 | H38—C27—H39 | 108.0 |
| C7—C8—H9 | 109.4 | C29—C28—C27 | 110.32 (15) |
| C9—C8—H9 | 109.4 | C29—C28—H40 | 109.6 |
| H8—C8—H9 | 108.0 | C27—C28—H40 | 109.6 |
| C10—C9—C8 | 111.94 (14) | C29—C28—H41 | 109.6 |
| C10—C9—H10 | 109.2 | C27—C28—H41 | 109.6 |
| C8—C9—H10 | 109.2 | H40—C28—H41 | 108.1 |
| C10—C9—H11 | 109.2 | C28—C29—C30 | 111.05 (14) |
| C8—C9—H11 | 109.2 | C28—C29—H42 | 109.4 |
| H10—C9—H11 | 107.9 | C30—C29—H42 | 109.4 |
| C11—C10—C9 | 111.72 (14) | C28—C29—H43 | 109.4 |
| C11—C10—H12 | 109.3 | C30—C29—H43 | 109.4 |
| C9—C10—H12 | 109.3 | H42—C29—H43 | 108.0 |
| C11—C10—H13 | 109.3 | C25—C30—C29 | 110.77 (13) |
| C9—C10—H13 | 109.3 | C25—C30—H44 | 109.5 |
| H12—C10—H13 | 107.9 | C29—C30—H44 | 109.5 |
| C10—C11—C12 | 111.46 (14) | C25—C30—H45 | 109.5 |
| C10—C11—H14 | 109.3 | C29—C30—H45 | 109.5 |
| C12—C11—H14 | 109.3 | H44—C30—H45 | 108.1 |
| C10—C11—H15 | 109.3 | N4—C31—C36 | 112.40 (13) |
| C12—C11—H15 | 109.3 | N4—C31—C32 | 108.07 (13) |
| H14—C11—H15 | 108.0 | C36—C31—C32 | 111.00 (14) |
| C7—C12—C11 | 110.16 (13) | N4—C31—H46 | 108.4 |
| C7—C12—H16 | 109.6 | C36—C31—H46 | 108.4 |
| C11—C12—H16 | 109.6 | C32—C31—H46 | 108.4 |
| C7—C12—H17 | 109.6 | C31—C32—C33 | 111.49 (13) |
| C11—C12—H17 | 109.6 | C31—C32—H47 | 109.3 |
| H16—C12—H17 | 108.1 | C33—C32—H47 | 109.3 |
| N2—C13—C14 | 110.21 (13) | C31—C32—H48 | 109.3 |
| N2—C13—C18 | 111.59 (13) | C33—C32—H48 | 109.3 |
| C14—C13—C18 | 111.26 (14) | H47—C32—H48 | 108.0 |
| N2—C13—H18 | 107.9 | C34—C33—C32 | 111.75 (14) |
| C14—C13—H18 | 107.9 | C34—C33—H49 | 109.3 |
| C18—C13—H18 | 107.9 | C32—C33—H49 | 109.3 |
| C13—C14—C15 | 110.26 (13) | C34—C33—H50 | 109.3 |
| C13—C14—H19 | 109.6 | C32—C33—H50 | 109.3 |
| C15—C14—H19 | 109.6 | H49—C33—H50 | 107.9 |
| C13—C14—H20 | 109.6 | C33—C34—C35 | 110.85 (14) |
| C15—C14—H20 | 109.6 | C33—C34—H51 | 109.5 |
| H19—C14—H20 | 108.1 | C35—C34—H51 | 109.5 |
| C16—C15—C14 | 111.69 (14) | C33—C34—H52 | 109.5 |
| C16—C15—H21 | 109.3 | C35—C34—H52 | 109.5 |
| C14—C15—H21 | 109.3 | H51—C34—H52 | 108.1 |
| C16—C15—H22 | 109.3 | C34—C35—C36 | 110.99 (14) |
| C14—C15—H22 | 109.3 | C34—C35—H53 | 109.4 |
| H21—C15—H22 | 107.9 | C36—C35—H53 | 109.4 |
| C15—C16—C17 | 111.43 (14) | C34—C35—H54 | 109.4 |
| C15—C16—H23 | 109.3 | C36—C35—H54 | 109.4 |
| C17—C16—H23 | 109.3 | H53—C35—H54 | 108.0 |
| C15—C16—H24 | 109.3 | C31—C36—C35 | 110.63 (13) |
| C17—C16—H24 | 109.3 | C31—C36—H55 | 109.5 |
| H23—C16—H24 | 108.0 | C35—C36—H55 | 109.5 |
| C16—C17—C18 | 110.53 (14) | C31—C36—H56 | 109.5 |
| C16—C17—H25 | 109.5 | C35—C36—H56 | 109.5 |
| C18—C17—H25 | 109.5 | H55—C36—H56 | 108.1 |
| C16—C17—H26 | 109.5 | C1—N1—C7 | 116.72 (13) |
| C18—C17—H26 | 109.5 | C1—N1—Fe | 123.97 (11) |
| H25—C17—H26 | 108.1 | C7—N1—Fe | 119.30 (10) |
| C13—C18—C17 | 110.69 (14) | C1—N2—C13 | 124.24 (14) |
| C13—C18—H27 | 109.5 | C1—N2—H1 | 117.7 (14) |
| C17—C18—H27 | 109.5 | C13—N2—H1 | 116.7 (14) |
| C13—C18—H28 | 109.5 | C19—N3—C25 | 117.06 (13) |
| C17—C18—H28 | 109.5 | C19—N3—Fe | 123.80 (11) |
| H27—C18—H28 | 108.1 | C25—N3—Fe | 119.04 (10) |
| N3—C19—N4 | 122.01 (14) | C19—N4—C31 | 126.11 (13) |
| N3—C19—C20 | 121.58 (14) | C19—N4—H29 | 117.3 (13) |
| N4—C19—C20 | 116.41 (14) | C31—N4—H29 | 116.6 (13) |
| C21—C20—C19 | 174.78 (17) | N1—Fe—N3 | 108.64 (6) |
| C20—C21—C22 | 177.90 (18) | N1—Fe—Cl2 | 114.76 (5) |
| C21—C22—C23 | 119.33 (16) | N3—Fe—Cl2 | 106.66 (5) |
| C21—C22—C24 | 118.22 (15) | N1—Fe—Cl1 | 105.69 (5) |
| C23—C22—C24 | 58.66 (12) | N3—Fe—Cl1 | 114.71 (5) |
| C21—C22—H30 | 116.1 | Cl2—Fe—Cl1 | 106.61 (4) |
| C3—C4—C5—C6 | −107.90 (17) | C31—C32—C33—C34 | 54.38 (19) |
| C3—C4—C6—C5 | 108.49 (17) | C32—C33—C34—C35 | −54.99 (19) |
| N1—C7—C8—C9 | −179.50 (13) | C33—C34—C35—C36 | 56.42 (19) |
| C12—C7—C8—C9 | 57.43 (17) | N4—C31—C36—C35 | 177.45 (13) |
| C7—C8—C9—C10 | −53.92 (19) | C32—C31—C36—C35 | 56.28 (18) |
| C8—C9—C10—C11 | 52.2 (2) | C34—C35—C36—C31 | −57.25 (19) |
| C9—C10—C11—C12 | −54.00 (19) | N2—C1—N1—C7 | −173.40 (14) |
| N1—C7—C12—C11 | 178.12 (13) | C2—C1—N1—C7 | 5.2 (2) |
| C8—C7—C12—C11 | −59.07 (18) | N2—C1—N1—Fe | 5.9 (2) |
| C10—C11—C12—C7 | 57.54 (18) | C2—C1—N1—Fe | −175.49 (11) |
| N2—C13—C14—C15 | 179.28 (13) | C12—C7—N1—C1 | −151.55 (14) |
| C18—C13—C14—C15 | −56.38 (18) | C8—C7—N1—C1 | 85.76 (17) |
| C13—C14—C15—C16 | 55.25 (19) | C12—C7—N1—Fe | 29.09 (16) |
| C14—C15—C16—C17 | −55.31 (19) | C8—C7—N1—Fe | −93.61 (13) |
| C15—C16—C17—C18 | 55.58 (19) | N1—C1—N2—C13 | −167.61 (15) |
| N2—C13—C18—C17 | −178.89 (14) | C2—C1—N2—C13 | 13.7 (2) |
| C14—C13—C18—C17 | 57.55 (18) | C14—C13—N2—C1 | −156.41 (15) |
| C16—C17—C18—C13 | −56.52 (19) | C18—C13—N2—C1 | 79.44 (19) |
| C21—C22—C23—C24 | 107.03 (19) | N4—C19—N3—C25 | −175.90 (14) |
| C21—C22—C24—C23 | −108.9 (2) | C20—C19—N3—C25 | 5.0 (2) |
| N3—C25—C26—C27 | 178.69 (13) | N4—C19—N3—Fe | 0.3 (2) |
| C30—C25—C26—C27 | 55.11 (18) | C20—C19—N3—Fe | −178.76 (11) |
| C25—C26—C27—C28 | −55.9 (2) | C26—C25—N3—C19 | 85.50 (17) |
| C26—C27—C28—C29 | 56.7 (2) | C30—C25—N3—C19 | −150.99 (14) |
| C27—C28—C29—C30 | −57.4 (2) | C26—C25—N3—Fe | −90.90 (14) |
| N3—C25—C30—C29 | −178.35 (13) | C30—C25—N3—Fe | 32.62 (16) |
| C26—C25—C30—C29 | −55.34 (18) | N3—C19—N4—C31 | −177.79 (14) |
| C28—C29—C30—C25 | 56.85 (19) | C20—C19—N4—C31 | 1.3 (2) |
| N4—C31—C32—C33 | −178.60 (13) | C36—C31—N4—C19 | 84.39 (19) |
| C36—C31—C32—C33 | −54.92 (18) | C32—C31—N4—C19 | −152.79 (15) |