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. 2022 Mar 8;78(Pt 4):359–364. doi: 10.1107/S2056989022002420
C11—N12 1.356 (4) N22—C23 1.337 (4)
C11—N17A 1.368 (4) N22—C22 1.477 (4)
C11—C17A 1.368 (4) C22—H22A 0.9800
C11—H11 0.9500 C22—H22B 0.9800
N12—C13 1.345 (4) C22—H22C 0.9800
N12—C12 1.462 (3) C23—C23A 1.357 (4)
C12—H12A 0.9800 C23—N23A 1.357 (4)
C12—H12B 0.9800 C23—H23 0.9500
C12—H12C 0.9800 N23A—C24 1.402 (4)
C13—C13A 1.345 (4) N23A—C27A 1.402 (3)
C13—N13A 1.345 (4) C23A—C24 1.402 (4)
C13—H13 0.9500 C23A—N27A 1.402 (3)
N13A—C14 1.404 (4) C24—C25 1.353 (4)
N13A—C17A 1.408 (4) C24—H24 0.9500
C13A—C14 1.404 (4) C25—C26 1.427 (4)
C13A—N17A 1.408 (4) C25—H25 0.9500
C14—C15 1.339 (4) C26—C27 1.350 (4)
C14—H14 0.9500 C26—H26 0.9500
C15—C16 1.433 (5) C27—N27A 1.431 (4)
C15—H15 0.9500 C27—C27A 1.431 (4)
C16—C17 1.344 (4) C27—H27 0.9500
C16—H16 0.9500 Cd1—Cl3 2.380 (4)
C17—N17A 1.415 (4) Cd1—Cl2 2.460 (5)
C17—C17A 1.415 (4) Cd1—Cl1 2.467 (3)
C17—H17 0.9500 Cd1—Cl4 2.497 (4)
C21—N27A 1.366 (4) Cd1—Br3 2.5353 (12)
C21—C27A 1.366 (4) Cd1—Br1 2.5834 (17)
C21—N22 1.369 (4) Cd1—Br2 2.5950 (5)
C21—H21 0.9500 Cd1—Br4 2.6029 (11)
N12—C11—N17A 107.3 (2) N22—C23—N23A 107.3 (2)
N12—C11—C17A 107.3 (2) N22—C23—H23 126.3
N12—C11—H11 126.3 N23A—C23—H23 126.3
C17A—C11—H11 126.3 C23—N23A—C24 130.4 (3)
C13—N12—C11 110.5 (2) C23—N23A—C27A 108.7 (3)
C13—N12—C12 125.2 (3) C24—N23A—C27A 120.9 (2)
C11—N12—C12 124.3 (2) C23—C23A—C24 130.4 (3)
N12—C12—H12A 109.5 C23—C23A—N27A 108.7 (3)
N12—C12—H12B 109.5 C24—C23A—N27A 120.9 (2)
H12A—C12—H12B 109.5 C25—C24—N23A 118.6 (3)
N12—C12—H12C 109.5 C25—C24—C23A 118.6 (3)
H12A—C12—H12C 109.5 C25—C24—H24 120.7
H12B—C12—H12C 109.5 N23A—C24—H24 120.7
C13A—C13—N12 107.4 (3) C24—C25—C26 121.6 (3)
N13A—C13—N12 107.4 (3) C24—C25—H25 119.2
N13A—C13—H13 126.3 C26—C25—H25 119.2
N12—C13—H13 126.3 C27—C26—C25 120.6 (3)
C13—N13A—C14 130.7 (3) C27—C26—H26 119.7
C13—N13A—C17A 108.6 (2) C25—C26—H26 119.7
C14—N13A—C17A 120.8 (2) C26—C27—N27A 118.9 (3)
C13—C13A—C14 130.7 (3) C26—C27—C27A 118.9 (3)
C13—C13A—N17A 108.6 (2) C26—C27—H27 120.5
C14—C13A—N17A 120.8 (2) C27A—C27—H27 120.5
C15—C14—N13A 118.6 (3) C21—C27A—N23A 106.2 (2)
C15—C14—C13A 118.6 (3) C21—C27A—C27 134.4 (3)
C15—C14—H14 120.7 N23A—C27A—C27 119.4 (3)
N13A—C14—H14 120.7 C21—N27A—C23A 106.2 (2)
C14—C15—C16 120.8 (3) C21—N27A—C27 134.4 (3)
C14—C15—H15 119.6 C23A—N27A—C27 119.4 (3)
C16—C15—H15 119.6 Cl3—Cd1—Cl2 107.3 (10)
C17—C16—C15 122.0 (3) Cl3—Cd1—Cl1 106.1 (7)
C17—C16—H16 119.0 Cl2—Cd1—Cl1 114.9 (9)
C15—C16—H16 119.0 Cl3—Cd1—Cl4 112.7 (5)
C16—C17—N17A 117.9 (3) Cl2—Cd1—Cl4 109.6 (9)
C16—C17—C17A 117.9 (3) Cl1—Cd1—Cl4 106.3 (6)
C16—C17—H17 121.1 Cl3—Cd1—Br3 1.0 (6)
C17A—C17—H17 121.1 Cl2—Cd1—Br3 108.4 (9)
C11—C17A—N13A 106.3 (2) Cl1—Cd1—Br3 105.3 (5)
C11—C17A—C17 133.9 (3) Cl4—Cd1—Br3 112.4 (2)
N13A—C17A—C17 119.9 (2) Cl3—Cd1—Br1 107.0 (5)
C11—N17A—C13A 106.3 (2) Cl2—Cd1—Br1 113.4 (8)
C11—N17A—C17 133.9 (3) Cl1—Cd1—Br1 1.5 (7)
C13A—N17A—C17 119.9 (2) Cl4—Cd1—Br1 106.9 (4)
N27A—C21—N22 107.5 (3) Br3—Cd1—Br1 106.2 (3)
C27A—C21—N22 107.5 (3) Cl3—Cd1—Br2 108.3 (5)
C27A—C21—H21 126.2 Cl2—Cd1—Br2 2.1 (8)
N22—C21—H21 126.2 Cl1—Cd1—Br2 112.8 (5)
C23—N22—C21 110.2 (2) Cl4—Cd1—Br2 110.6 (2)
C23—N22—C22 124.3 (3) Br3—Cd1—Br2 109.34 (14)
C21—N22—C22 125.5 (3) Br1—Cd1—Br2 111.3 (3)
N22—C22—H22A 109.5 Cl3—Cd1—Br4 117.3 (5)
N22—C22—H22B 109.5 Cl2—Cd1—Br4 106.6 (9)
H22A—C22—H22B 109.5 Cl1—Cd1—Br4 104.9 (5)
N22—C22—H22C 109.5 Cl4—Cd1—Br4 4.6 (2)
H22A—C22—H22C 109.5 Br3—Cd1—Br4 117.00 (15)
H22B—C22—H22C 109.5 Br1—Cd1—Br4 105.4 (3)
N22—C23—C23A 107.3 (2) Br2—Cd1—Br4 107.57 (8)
N17A—C11—N12—C13 0.0 (3) N27A—C21—N22—C23 0.3 (3)
C17A—C11—N12—C13 0.0 (3) C27A—C21—N22—C23 0.3 (3)
N17A—C11—N12—C12 179.1 (2) N27A—C21—N22—C22 −179.0 (2)
C17A—C11—N12—C12 179.1 (2) C27A—C21—N22—C22 −179.0 (2)
C11—N12—C13—C13A −0.3 (3) C21—N22—C23—C23A −0.3 (3)
C12—N12—C13—C13A −179.3 (2) C22—N22—C23—C23A 179.0 (2)
C11—N12—C13—N13A −0.3 (3) C21—N22—C23—N23A −0.3 (3)
C12—N12—C13—N13A −179.3 (2) C22—N22—C23—N23A 179.0 (2)
N12—C13—N13A—C14 −178.2 (3) N22—C23—N23A—C24 179.5 (2)
N12—C13—N13A—C17A 0.4 (3) N22—C23—N23A—C27A 0.2 (3)
N12—C13—C13A—C14 −178.2 (3) N22—C23—C23A—C24 179.5 (2)
N12—C13—C13A—N17A 0.4 (3) N22—C23—C23A—N27A 0.2 (3)
C13—N13A—C14—C15 178.1 (3) C23—N23A—C24—C25 −179.4 (3)
C17A—N13A—C14—C15 −0.4 (4) C27A—N23A—C24—C25 −0.1 (4)
C13—C13A—C14—C15 178.1 (3) C23—C23A—C24—C25 −179.4 (3)
N17A—C13A—C14—C15 −0.4 (4) N27A—C23A—C24—C25 −0.1 (4)
N13A—C14—C15—C16 1.5 (4) N23A—C24—C25—C26 −1.5 (4)
C13A—C14—C15—C16 1.5 (4) C23A—C24—C25—C26 −1.5 (4)
C14—C15—C16—C17 −1.1 (5) C24—C25—C26—C27 1.5 (4)
C15—C16—C17—N17A −0.5 (4) C25—C26—C27—N27A 0.1 (4)
C15—C16—C17—C17A −0.5 (4) C25—C26—C27—C27A 0.1 (4)
N12—C11—C17A—N13A 0.2 (3) N22—C21—C27A—N23A −0.2 (3)
N12—C11—C17A—C17 179.7 (3) N22—C21—C27A—C27 178.5 (3)
C13—N13A—C17A—C11 −0.4 (3) C23—N23A—C27A—C21 0.0 (3)
C14—N13A—C17A—C11 178.3 (2) C24—N23A—C27A—C21 −179.4 (2)
C13—N13A—C17A—C17 −179.9 (2) C23—N23A—C27A—C27 −178.9 (2)
C14—N13A—C17A—C17 −1.2 (4) C24—N23A—C27A—C27 1.7 (4)
C16—C17—C17A—C11 −177.8 (3) C26—C27—C27A—C21 179.8 (3)
C16—C17—C17A—N13A 1.6 (4) C26—C27—C27A—N23A −1.7 (4)
N12—C11—N17A—C13A 0.2 (3) N22—C21—N27A—C23A −0.2 (3)
N12—C11—N17A—C17 179.7 (3) N22—C21—N27A—C27 178.5 (3)
C13—C13A—N17A—C11 −0.4 (3) C23—C23A—N27A—C21 0.0 (3)
C14—C13A—N17A—C11 178.3 (2) C24—C23A—N27A—C21 −179.4 (2)
C13—C13A—N17A—C17 −179.9 (2) C23—C23A—N27A—C27 −178.9 (2)
C14—C13A—N17A—C17 −1.2 (4) C24—C23A—N27A—C27 1.7 (4)
C16—C17—N17A—C11 −177.8 (3) C26—C27—N27A—C21 179.8 (3)
C16—C17—N17A—C13A 1.6 (4) C26—C27—N27A—C23A −1.7 (4)