Skip to main content
. 2020 Oct 9;76(Pt 11):1741–1747. doi: 10.1107/S2056989020013341
Ni—N1 1.896 (2) C30—C31 1.394 (4)
Ni—N2 1.846 (2) C31—C32 1.394 (4)
Ni—N3 1.906 (2) C31—C34 1.515 (4)
Ni—N4 1.861 (2) C32—H32 0.9500
N1—C1 1.375 (3) C32—C33 1.386 (4)
N1—C4 1.397 (3) C33—H33 0.9500
N2—C19 1.365 (3) C34—H34A 0.9800
N2—C23 1.362 (3) C34—H34B 0.9800
N3—C24 1.390 (3) C34—H34C 0.9800
N3—C27 1.376 (3) C35—C36 1.401 (4)
N4—C42 1.140 (3) C35—C40 1.391 (4)
C1—C2 1.404 (4) C36—H36 0.9500
C1—C5 1.469 (4) C36—C37 1.385 (4)
C2—H2 0.9500 C37—H37 0.9500
C2—C3 1.407 (4) C37—C38 1.381 (5)
C3—C4 1.403 (4) C38—C39 1.393 (5)
C3—C12 1.485 (4) C38—C41 1.512 (5)
C4—C19 1.445 (4) C39—H39 0.9500
C5—C6 1.398 (4) C39—C40 1.393 (4)
C5—C10 1.392 (4) C40—H40 0.9500
C6—H6 0.9500 C41—H41A 0.9800
C6—C7 1.384 (4) C41—H41B 0.9800
C7—H7 0.9500 C41—H41C 0.9800
C7—C8 1.394 (5) C42—C43 1.449 (4)
C8—C9 1.391 (5) C43—H43A 0.9800
C8—C11 1.512 (4) C43—H43B 0.9800
C9—H9 0.9500 C43—H43C 0.9800
C9—C10 1.386 (4) C1A—H1AA 0.9800
C10—H10 0.9500 C1A—H1AB 0.9800
C11—H11A 0.9800 C1A—H1AC 0.9800
C11—H11B 0.9800 C1A—C1B 1.532 (6)
C11—H11C 0.9800 C1B—H1BA 0.9900
C12—C13 1.394 (4) C1B—H1BB 0.9900
C12—C17 1.395 (4) C1B—C1C 1.515 (5)
C13—H13 0.9500 C1C—H1CA 0.9900
C13—C14 1.382 (4) C1C—H1CB 0.9900
C14—H14 0.9500 C1C—C1D 1.515 (5)
C14—C15 1.393 (4) C1D—H1DA 0.9900
C15—C16 1.397 (4) C1D—H1DB 0.9900
C15—C18 1.506 (4) C1D—C1E 1.525 (5)
C16—H16 0.9500 C1E—H1EA 0.9900
C16—C17 1.393 (4) C1E—H1EB 0.9900
C17—H17 0.9500 C1E—C1F 1.526 (5)
C18—H18A 0.9800 C1F—H1FA 0.9800
C18—H18B 0.9800 C1F—H1FB 0.9800
C18—H18C 0.9800 C1F—H1FC 0.9800
C19—C20 1.391 (4) C1G—H1GA 0.9800
C20—H20 0.9500 C1G—H1GB 0.9800
C20—C21 1.382 (4) C1G—H1GC 0.9800
C21—H21 0.9500 C1G—C1H 1.529 (6)
C21—C22 1.387 (4) C1H—H1HA 0.9900
C22—H22 0.9500 C1H—H1HB 0.9900
C22—C23 1.395 (4) C1H—C1I 1.530 (6)
C23—C24 1.443 (4) C1I—H1IA 0.9900
C24—C25 1.396 (4) C1I—H1IB 0.9900
C25—C26 1.399 (4) C1I—C1J 1.519 (6)
C25—C28 1.481 (4) C1J—H1JA 0.9900
C26—H26 0.9500 C1J—H1JB 0.9900
C26—C27 1.401 (4) C1J—C1K 1.526 (6)
C27—C35 1.476 (4) C1K—H1KA 0.9900
C28—C29 1.393 (4) C1K—H1KB 0.9900
C28—C33 1.392 (4) C1K—C1L 1.533 (6)
C29—H29 0.9500 C1L—H1LA 0.9800
C29—C30 1.387 (4) C1L—H1LB 0.9800
C30—H30 0.9500 C1L—H1LC 0.9800
N1—Ni—N3 166.68 (9) C31—C32—H32 119.2
N2—Ni—N1 83.38 (9) C33—C32—C31 121.6 (3)
N2—Ni—N3 83.52 (9) C33—C32—H32 119.2
N2—Ni—N4 168.06 (10) C28—C33—H33 119.7
N4—Ni—N1 96.77 (9) C32—C33—C28 120.6 (3)
N4—Ni—N3 96.54 (10) C32—C33—H33 119.7
C1—N1—Ni 138.26 (19) C31—C34—H34A 109.5
C1—N1—C4 106.5 (2) C31—C34—H34B 109.5
C4—N1—Ni 113.43 (17) C31—C34—H34C 109.5
C19—N2—Ni 118.35 (18) H34A—C34—H34B 109.5
C23—N2—Ni 117.87 (18) H34A—C34—H34C 109.5
C23—N2—C19 122.5 (2) H34B—C34—H34C 109.5
C24—N3—Ni 112.48 (17) C36—C35—C27 119.3 (3)
C27—N3—Ni 138.85 (19) C40—C35—C27 122.2 (3)
C27—N3—C24 106.1 (2) C40—C35—C36 118.3 (3)
C42—N4—Ni 176.7 (2) C35—C36—H36 119.6
N1—C1—C2 109.5 (2) C37—C36—C35 120.9 (3)
N1—C1—C5 124.8 (2) C37—C36—H36 119.6
C2—C1—C5 125.5 (2) C36—C37—H37 119.6
C1—C2—H2 126.0 C38—C37—C36 120.8 (3)
C1—C2—C3 107.9 (2) C38—C37—H37 119.6
C3—C2—H2 126.0 C37—C38—C39 118.6 (3)
C2—C3—C12 125.8 (2) C37—C38—C41 120.4 (4)
C4—C3—C2 105.8 (2) C39—C38—C41 120.9 (4)
C4—C3—C12 128.4 (3) C38—C39—H39 119.5
N1—C4—C3 110.2 (2) C38—C39—C40 121.0 (3)
N1—C4—C19 113.8 (2) C40—C39—H39 119.5
C3—C4—C19 134.9 (3) C35—C40—C39 120.3 (3)
C6—C5—C1 122.1 (2) C35—C40—H40 119.9
C10—C5—C1 119.9 (3) C39—C40—H40 119.9
C10—C5—C6 117.9 (3) C38—C41—H41A 109.5
C5—C6—H6 119.6 C38—C41—H41B 109.5
C7—C6—C5 120.8 (3) C38—C41—H41C 109.5
C7—C6—H6 119.6 H41A—C41—H41B 109.5
C6—C7—H7 119.5 H41A—C41—H41C 109.5
C6—C7—C8 121.1 (3) H41B—C41—H41C 109.5
C8—C7—H7 119.5 N4—C42—C43 176.7 (3)
C7—C8—C11 121.2 (3) C42—C43—H43A 109.5
C9—C8—C7 118.2 (3) C42—C43—H43B 109.5
C9—C8—C11 120.6 (3) C42—C43—H43C 109.5
C8—C9—H9 119.6 H43A—C43—H43B 109.5
C10—C9—C8 120.8 (3) H43A—C43—H43C 109.5
C10—C9—H9 119.6 H43B—C43—H43C 109.5
C5—C10—H10 119.4 H1AA—C1A—H1AB 109.5
C9—C10—C5 121.2 (3) H1AA—C1A—H1AC 109.5
C9—C10—H10 119.4 H1AB—C1A—H1AC 109.5
C8—C11—H11A 109.5 C1B—C1A—H1AA 109.5
C8—C11—H11B 109.5 C1B—C1A—H1AB 109.5
C8—C11—H11C 109.5 C1B—C1A—H1AC 109.5
H11A—C11—H11B 109.5 C1A—C1B—H1BA 109.9
H11A—C11—H11C 109.5 C1A—C1B—H1BB 109.9
H11B—C11—H11C 109.5 H1BA—C1B—H1BB 108.3
C13—C12—C3 120.6 (3) C1C—C1B—C1A 109.1 (7)
C13—C12—C17 118.2 (3) C1C—C1B—H1BA 109.9
C17—C12—C3 121.2 (3) C1C—C1B—H1BB 109.9
C12—C13—H13 119.6 C1B—C1C—H1CA 108.6
C14—C13—C12 120.8 (3) C1B—C1C—H1CB 108.6
C14—C13—H13 119.6 H1CA—C1C—H1CB 107.6
C13—C14—H14 119.2 C1D—C1C—C1B 114.6 (6)
C13—C14—C15 121.5 (3) C1D—C1C—H1CA 108.6
C15—C14—H14 119.2 C1D—C1C—H1CB 108.6
C14—C15—C16 117.6 (3) C1C—C1D—H1DA 108.5
C14—C15—C18 121.5 (3) C1C—C1D—H1DB 108.5
C16—C15—C18 120.9 (3) C1C—C1D—C1E 114.9 (6)
C15—C16—H16 119.4 H1DA—C1D—H1DB 107.5
C17—C16—C15 121.1 (3) C1E—C1D—H1DA 108.5
C17—C16—H16 119.4 C1E—C1D—H1DB 108.5
C12—C17—H17 119.7 C1D—C1E—H1EA 110.7
C16—C17—C12 120.6 (3) C1D—C1E—H1EB 110.7
C16—C17—H17 119.7 C1D—C1E—C1F 105.3 (6)
C15—C18—H18A 109.5 H1EA—C1E—H1EB 108.8
C15—C18—H18B 109.5 C1F—C1E—H1EA 110.7
C15—C18—H18C 109.5 C1F—C1E—H1EB 110.7
H18A—C18—H18B 109.5 C1E—C1F—H1FA 109.5
H18A—C18—H18C 109.5 C1E—C1F—H1FB 109.5
H18B—C18—H18C 109.5 C1E—C1F—H1FC 109.5
N2—C19—C4 110.6 (2) H1FA—C1F—H1FB 109.5
N2—C19—C20 119.0 (2) H1FA—C1F—H1FC 109.5
C20—C19—C4 130.2 (2) H1FB—C1F—H1FC 109.5
C19—C20—H20 120.4 H1GA—C1G—H1GB 109.5
C21—C20—C19 119.1 (3) H1GA—C1G—H1GC 109.5
C21—C20—H20 120.4 H1GB—C1G—H1GC 109.5
C20—C21—H21 119.3 C1H—C1G—H1GA 109.5
C20—C21—C22 121.4 (3) C1H—C1G—H1GB 109.5
C22—C21—H21 119.3 C1H—C1G—H1GC 109.5
C21—C22—H22 120.8 C1G—C1H—H1HA 108.6
C21—C22—C23 118.4 (2) C1G—C1H—H1HB 108.6
C23—C22—H22 120.8 C1G—C1H—C1I 114.6 (17)
N2—C23—C22 119.5 (2) H1HA—C1H—H1HB 107.6
N2—C23—C24 110.7 (2) C1I—C1H—H1HA 108.6
C22—C23—C24 129.7 (2) C1I—C1H—H1HB 108.6
N3—C24—C23 114.4 (2) C1H—C1I—H1IA 109.2
N3—C24—C25 110.6 (2) C1H—C1I—H1IB 109.2
C25—C24—C23 134.3 (3) H1IA—C1I—H1IB 107.9
C24—C25—C26 105.9 (2) C1J—C1I—C1H 112.2 (15)
C24—C25—C28 127.3 (3) C1J—C1I—H1IA 109.2
C26—C25—C28 126.8 (2) C1J—C1I—H1IB 109.2
C25—C26—H26 126.1 C1I—C1J—H1JA 106.4
C25—C26—C27 107.9 (2) C1I—C1J—H1JB 106.4
C27—C26—H26 126.1 C1I—C1J—C1K 123.6 (18)
N3—C27—C26 109.5 (2) H1JA—C1J—H1JB 106.5
N3—C27—C35 124.7 (2) C1K—C1J—H1JA 106.4
C26—C27—C35 125.3 (2) C1K—C1J—H1JB 106.4
C29—C28—C25 120.9 (2) C1J—C1K—H1KA 110.4
C33—C28—C25 121.1 (3) C1J—C1K—H1KB 110.4
C33—C28—C29 118.0 (2) C1J—C1K—C1L 106.8 (15)
C28—C29—H29 119.4 H1KA—C1K—H1KB 108.6
C30—C29—C28 121.3 (3) C1L—C1K—H1KA 110.4
C30—C29—H29 119.4 C1L—C1K—H1KB 110.4
C29—C30—H30 119.5 C1K—C1L—H1LA 109.5
C29—C30—C31 120.9 (3) C1K—C1L—H1LB 109.5
C31—C30—H30 119.5 C1K—C1L—H1LC 109.5
C30—C31—C34 120.6 (3) H1LA—C1L—H1LB 109.5
C32—C31—C30 117.6 (3) H1LA—C1L—H1LC 109.5
C32—C31—C34 121.8 (3) H1LB—C1L—H1LC 109.5
Ni—N1—C1—C2 161.2 (2) C10—C5—C6—C7 −1.9 (4)
Ni—N1—C1—C5 −23.5 (4) C11—C8—C9—C10 178.2 (3)
Ni—N1—C4—C3 −166.90 (18) C12—C3—C4—N1 −179.7 (3)
Ni—N1—C4—C19 3.1 (3) C12—C3—C4—C19 13.3 (5)
Ni—N2—C19—C4 −6.0 (3) C12—C13—C14—C15 −0.1 (5)
Ni—N2—C19—C20 169.9 (2) C13—C12—C17—C16 3.5 (4)
Ni—N2—C23—C22 −170.8 (2) C13—C14—C15—C16 2.4 (4)
Ni—N2—C23—C24 6.5 (3) C13—C14—C15—C18 −177.4 (3)
Ni—N3—C24—C23 −7.9 (3) C14—C15—C16—C17 −1.7 (4)
Ni—N3—C24—C25 163.61 (19) C15—C16—C17—C12 −1.3 (4)
Ni—N3—C27—C26 −156.8 (2) C17—C12—C13—C14 −2.8 (4)
Ni—N3—C27—C35 31.3 (5) C18—C15—C16—C17 178.1 (3)
N1—Ni—N2—C19 6.3 (2) C19—N2—C23—C22 −4.1 (4)
N1—Ni—N2—C23 173.5 (2) C19—N2—C23—C24 173.1 (2)
N1—C1—C2—C3 2.0 (3) C19—C20—C21—C22 −1.0 (5)
N1—C1—C5—C6 −48.1 (4) C20—C21—C22—C23 0.2 (5)
N1—C1—C5—C10 134.1 (3) C21—C22—C23—N2 2.3 (4)
N1—C4—C19—N2 1.7 (3) C21—C22—C23—C24 −174.3 (3)
N1—C4—C19—C20 −173.7 (3) C22—C23—C24—N3 178.1 (3)
N2—Ni—N1—C1 −167.0 (3) C22—C23—C24—C25 9.2 (5)
N2—Ni—N1—C4 −4.96 (19) C23—N2—C19—C4 −172.6 (2)
N2—C19—C20—C21 −0.7 (4) C23—N2—C19—C20 3.3 (4)
N2—C23—C24—N3 1.3 (3) C23—C24—C25—C26 169.7 (3)
N2—C23—C24—C25 −167.6 (3) C23—C24—C25—C28 −11.9 (5)
N3—Ni—N1—C1 −177.4 (4) C24—N3—C27—C26 2.5 (3)
N3—Ni—N1—C4 −15.3 (5) C24—N3—C27—C35 −169.4 (3)
N3—Ni—N2—C19 −176.1 (2) C24—C25—C26—C27 1.1 (3)
N3—Ni—N2—C23 −8.8 (2) C24—C25—C28—C29 −55.6 (4)
N3—C24—C25—C26 0.5 (3) C24—C25—C28—C33 123.9 (3)
N3—C24—C25—C28 178.9 (3) C25—C26—C27—N3 −2.2 (3)
N3—C27—C35—C36 −152.3 (3) C25—C26—C27—C35 169.6 (3)
N3—C27—C35—C40 32.6 (4) C25—C28—C29—C30 178.4 (3)
N4—Ni—N1—C1 1.0 (3) C25—C28—C33—C32 −178.8 (3)
N4—Ni—N1—C4 163.01 (19) C26—C25—C28—C29 122.5 (3)
N4—Ni—N2—C19 −85.1 (5) C26—C25—C28—C33 −58.0 (4)
N4—Ni—N2—C23 82.1 (5) C26—C27—C35—C36 37.1 (4)
C1—N1—C4—C3 0.7 (3) C26—C27—C35—C40 −138.0 (3)
C1—N1—C4—C19 170.7 (2) C27—N3—C24—C23 −173.4 (2)
C1—C2—C3—C4 −1.5 (3) C27—N3—C24—C25 −1.8 (3)
C1—C2—C3—C12 178.7 (3) C27—C35—C36—C37 −176.9 (3)
C1—C5—C6—C7 −179.7 (3) C27—C35—C40—C39 178.1 (3)
C1—C5—C10—C9 179.3 (2) C28—C25—C26—C27 −177.3 (3)
C2—C1—C5—C6 126.5 (3) C28—C29—C30—C31 0.9 (4)
C2—C1—C5—C10 −51.2 (4) C29—C28—C33—C32 0.7 (4)
C2—C3—C4—N1 0.5 (3) C29—C30—C31—C32 −0.2 (4)
C2—C3—C4—C19 −166.5 (3) C29—C30—C31—C34 179.5 (3)
C2—C3—C12—C13 43.0 (4) C30—C31—C32—C33 −0.3 (5)
C2—C3—C12—C17 −135.9 (3) C31—C32—C33—C28 0.0 (5)
C3—C4—C19—N2 168.3 (3) C33—C28—C29—C30 −1.1 (4)
C3—C4—C19—C20 −7.0 (5) C34—C31—C32—C33 −180.0 (3)
C3—C12—C13—C14 178.2 (3) C35—C36—C37—C38 −1.6 (5)
C3—C12—C17—C16 −177.5 (3) C36—C35—C40—C39 2.9 (4)
C4—N1—C1—C2 −1.7 (3) C36—C37—C38—C39 3.4 (5)
C4—N1—C1—C5 173.7 (2) C36—C37—C38—C41 −175.8 (3)
C4—C3—C12—C13 −136.8 (3) C37—C38—C39—C40 −2.0 (5)
C4—C3—C12—C17 44.3 (4) C38—C39—C40—C35 −1.1 (5)
C4—C19—C20—C21 174.3 (3) C40—C35—C36—C37 −1.6 (4)
C5—C1—C2—C3 −173.3 (3) C41—C38—C39—C40 177.1 (3)
C5—C6—C7—C8 0.8 (4) C1A—C1B—C1C—C1D 178.1 (7)
C6—C5—C10—C9 1.5 (4) C1B—C1C—C1D—C1E 72.3 (8)
C6—C7—C8—C9 0.8 (4) C1C—C1D—C1E—C1F 169.8 (7)
C6—C7—C8—C11 −178.7 (3) C1G—C1H—C1I—C1J 177 (2)
C7—C8—C9—C10 −1.3 (4) C1H—C1I—C1J—C1K 130 (3)
C8—C9—C10—C5 0.1 (4) C1I—C1J—C1K—C1L 148 (3)