| Fe1—N61 | 2.077 (4) | N31—C36 | 1.350 (5) |
| Fe1—N51 | 2.144 (4) | C32—N33 | 1.335 (5) |
| Fe1—N11 | 2.175 (3) | N33—C34 | 1.342 (5) |
| Fe1—N31 | 2.176 (3) | C34—C35 | 1.388 (6) |
| Fe1—N41 | 2.224 (3) | C34—H34 | 0.9500 |
| Fe1—N21 | 2.230 (3) | C35—C36 | 1.372 (6) |
| N1—C22 | 1.367 (5) | C35—H35 | 0.9500 |
| N1—C12 | 1.381 (5) | C36—H36 | 0.9500 |
| N1—H1 | 0.84 (5) | N41—C42 | 1.335 (5) |
| N11—C12 | 1.344 (5) | N41—C46 | 1.357 (5) |
| N11—C16 | 1.354 (5) | C42—N43 | 1.351 (4) |
| C12—N13 | 1.341 (5) | N43—C44 | 1.327 (5) |
| N13—C14 | 1.327 (5) | C44—C45 | 1.394 (5) |
| C14—C15 | 1.394 (6) | C44—H44 | 0.9500 |
| C14—H14 | 0.9500 | C45—C46 | 1.368 (5) |
| C15—C16 | 1.365 (6) | C45—H45 | 0.9500 |
| C15—H15 | 0.9500 | C46—H46 | 0.9500 |
| C16—H16 | 0.9500 | N51—C52 | 1.157 (6) |
| N21—C22 | 1.343 (5) | C52—N53 | 1.301 (6) |
| N21—C26 | 1.352 (5) | N53—C54 | 1.321 (6) |
| C22—N23 | 1.343 (5) | C54—N55 | 1.156 (6) |
| N23—C24 | 1.330 (5) | N61—C62 | 1.151 (5) |
| C24—C25 | 1.396 (6) | C62—N63 | 1.297 (6) |
| C24—H24 | 0.9500 | N63—C64 | 1.310 (6) |
| C25—C26 | 1.375 (6) | C64—N65 | 1.129 (6) |
| C25—H25 | 0.9500 | O71—H71 | 0.860 (19) |
| C26—H26 | 0.9500 | O71—H72 | 0.86 (2) |
| N3—C42 | 1.367 (5) | O71—H73 | 0.85 (2) |
| N3—C32 | 1.385 (5) | O81—H81 | 0.858 (19) |
| N3—H3 | 0.89 (5) | O81—H82 | 0.86 (2) |
| N31—C32 | 1.340 (5) | O81—H83 | 0.86 (2) |
| N61—Fe1—N51 | 93.91 (15) | C42—N3—C32 | 130.2 (3) |
| N61—Fe1—N11 | 95.09 (14) | C42—N3—H3 | 117 (3) |
| N51—Fe1—N11 | 93.49 (14) | C32—N3—H3 | 112 (3) |
| N61—Fe1—N31 | 96.63 (14) | C32—N31—C36 | 115.9 (3) |
| N51—Fe1—N31 | 97.71 (14) | C32—N31—Fe1 | 124.0 (3) |
| N11—Fe1—N31 | 163.16 (11) | C36—N31—Fe1 | 118.5 (3) |
| N61—Fe1—N41 | 175.73 (15) | N33—C32—N31 | 126.1 (3) |
| N51—Fe1—N41 | 85.54 (13) | N33—C32—N3 | 113.3 (3) |
| N11—Fe1—N41 | 89.17 (12) | N31—C32—N3 | 120.6 (3) |
| N31—Fe1—N41 | 79.26 (12) | C32—N33—C34 | 116.4 (4) |
| N61—Fe1—N21 | 94.04 (13) | N33—C34—C35 | 122.0 (4) |
| N51—Fe1—N21 | 169.19 (13) | N33—C34—H34 | 119.0 |
| N11—Fe1—N21 | 78.51 (12) | C35—C34—H34 | 119.0 |
| N31—Fe1—N21 | 88.64 (12) | C36—C35—C34 | 116.9 (4) |
| N41—Fe1—N21 | 87.07 (11) | C36—C35—H35 | 121.5 |
| C22—N1—C12 | 130.0 (3) | C34—C35—H35 | 121.5 |
| C22—N1—H1 | 112 (3) | N31—C36—C35 | 122.4 (4) |
| C12—N1—H1 | 117 (3) | N31—C36—H36 | 118.8 |
| C12—N11—C16 | 115.6 (3) | C35—C36—H36 | 118.8 |
| C12—N11—Fe1 | 123.4 (3) | C42—N41—C46 | 116.1 (3) |
| C16—N11—Fe1 | 119.1 (3) | C42—N41—Fe1 | 121.2 (2) |
| N13—C12—N11 | 125.8 (4) | C46—N41—Fe1 | 117.7 (2) |
| N13—C12—N1 | 114.0 (3) | N41—C42—N43 | 125.5 (3) |
| N11—C12—N1 | 120.2 (3) | N41—C42—N3 | 120.4 (3) |
| C14—N13—C12 | 116.3 (4) | N43—C42—N3 | 114.2 (3) |
| N13—C14—C15 | 122.9 (4) | C44—N43—C42 | 116.7 (3) |
| N13—C14—H14 | 118.5 | N43—C44—C45 | 122.3 (4) |
| C15—C14—H14 | 118.5 | N43—C44—H44 | 118.9 |
| C16—C15—C14 | 116.1 (4) | C45—C44—H44 | 118.9 |
| C16—C15—H15 | 121.9 | C46—C45—C44 | 116.7 (4) |
| C14—C15—H15 | 121.9 | C46—C45—H45 | 121.6 |
| N11—C16—C15 | 122.9 (4) | C44—C45—H45 | 121.6 |
| N11—C16—H16 | 118.5 | N41—C46—C45 | 122.3 (3) |
| C15—C16—H16 | 118.5 | N41—C46—H46 | 118.8 |
| C22—N21—C26 | 115.9 (3) | C45—C46—H46 | 118.8 |
| C22—N21—Fe1 | 119.2 (2) | C52—N51—Fe1 | 145.4 (3) |
| C26—N21—Fe1 | 118.4 (2) | N51—C52—N53 | 175.0 (4) |
| N23—C22—N21 | 125.8 (3) | C52—N53—C54 | 119.7 (4) |
| N23—C22—N1 | 114.0 (3) | N55—C54—N53 | 176.1 (6) |
| N21—C22—N1 | 120.2 (3) | C62—N61—Fe1 | 170.6 (4) |
| C24—N23—C22 | 116.6 (3) | N61—C62—N63 | 174.3 (5) |
| N23—C24—C25 | 122.2 (4) | C62—N63—C64 | 121.4 (4) |
| N23—C24—H24 | 118.9 | N65—C64—N63 | 172.4 (5) |
| C25—C24—H24 | 118.9 | H71—O71—H72 | 105 (3) |
| C26—C25—C24 | 116.7 (4) | H71—O71—H73 | 106 (3) |
| C26—C25—H25 | 121.7 | H72—O71—H73 | 106 (3) |
| C24—C25—H25 | 121.7 | H81—O81—H82 | 105 (3) |
| N21—C26—C25 | 122.3 (3) | H81—O81—H83 | 104 (3) |
| N21—C26—H26 | 118.8 | H82—O81—H83 | 105 (3) |
| C25—C26—H26 | 118.8 | ||
| C16—N11—C12—N13 | 6.7 (6) | C36—N31—C32—N33 | 6.5 (6) |
| Fe1—N11—C12—N13 | −157.3 (3) | Fe1—N31—C32—N33 | −158.9 (3) |
| C16—N11—C12—N1 | −174.9 (4) | C36—N31—C32—N3 | −174.7 (4) |
| Fe1—N11—C12—N1 | 21.1 (5) | Fe1—N31—C32—N3 | 19.8 (5) |
| C22—N1—C12—N13 | −159.5 (4) | C42—N3—C32—N33 | −159.9 (4) |
| C22—N1—C12—N11 | 21.9 (6) | C42—N3—C32—N31 | 21.2 (6) |
| N11—C12—N13—C14 | −4.0 (6) | N31—C32—N33—C34 | −4.5 (6) |
| N1—C12—N13—C14 | 177.5 (4) | N3—C32—N33—C34 | 176.7 (4) |
| C12—N13—C14—C15 | −1.8 (6) | C32—N33—C34—C35 | −1.3 (6) |
| N13—C14—C15—C16 | 4.3 (7) | N33—C34—C35—C36 | 4.2 (7) |
| C12—N11—C16—C15 | −3.7 (6) | C32—N31—C36—C35 | −3.0 (6) |
| Fe1—N11—C16—C15 | 161.0 (3) | Fe1—N31—C36—C35 | 163.3 (4) |
| C14—C15—C16—N11 | −1.3 (6) | C34—C35—C36—N31 | −2.0 (7) |
| C26—N21—C22—N23 | −8.3 (6) | C46—N41—C42—N43 | −6.1 (6) |
| Fe1—N21—C22—N23 | 143.1 (3) | Fe1—N41—C42—N43 | 148.2 (3) |
| C26—N21—C22—N1 | 173.6 (3) | C46—N41—C42—N3 | 174.3 (3) |
| Fe1—N21—C22—N1 | −35.0 (5) | Fe1—N41—C42—N3 | −31.4 (5) |
| C12—N1—C22—N23 | 168.6 (4) | C32—N3—C42—N41 | −14.0 (6) |
| C12—N1—C22—N21 | −13.1 (6) | C32—N3—C42—N43 | 166.4 (4) |
| N21—C22—N23—C24 | 5.0 (6) | N41—C42—N43—C44 | 3.6 (6) |
| N1—C22—N23—C24 | −176.8 (4) | N3—C42—N43—C44 | −176.8 (4) |
| C22—N23—C24—C25 | 2.2 (7) | C42—N43—C44—C45 | 2.6 (6) |
| N23—C24—C25—C26 | −5.3 (7) | N43—C44—C45—C46 | −5.5 (7) |
| C22—N21—C26—C25 | 4.6 (6) | C42—N41—C46—C45 | 2.7 (6) |
| Fe1—N21—C26—C25 | −147.1 (3) | Fe1—N41—C46—C45 | −152.6 (3) |
| C24—C25—C26—N21 | 1.7 (6) | C44—C45—C46—N41 | 2.7 (6) |