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. 2024 Aug 13;9(Pt 8):x240776. doi: 10.1107/S2414314624007764
Ni1—N11 2.1388 (19) C25—H25 0.9500
Ni1—N21 2.1544 (19) C26—H26 0.9500
Ni1—N31 2.1621 (18) C27—H27A 0.9800
Ni1—N41 2.2056 (18) C27—H27B 0.9800
Ni1—Cl1 2.3658 (6) C27—H27C 0.9800
Ni1—Cl2 2.4051 (6) N31—C31 1.440 (3)
N11—C11 1.428 (3) N31—H31A 0.91 (2)
N11—H11A 0.85 (2) N31—H31B 0.85 (2)
N11—H11B 0.83 (2) C31—C36 1.381 (3)
C11—C16 1.385 (3) C31—C32 1.391 (3)
C11—C12 1.392 (3) C32—C33 1.388 (3)
C12—C13 1.384 (3) C32—H32 0.9500
C12—H12 0.9500 C33—C34 1.388 (3)
O13—C13 1.367 (3) C34—C35 1.379 (3)
O13—C17 1.428 (3) C34—H34 0.9500
C13—C14 1.387 (3) C35—C36 1.388 (3)
C14—C15 1.382 (3) C35—H35 0.9500
C14—H14 0.9500 C36—H36 0.9500
C15—C16 1.390 (3) C37—H37A 0.9800
C15—H15 0.9500 C37—H37B 0.9800
C16—H16 0.9500 C37—H37C 0.9800
C17—H17A 0.9800 N41—C41 1.436 (3)
C17—H17B 0.9800 N41—H41A 0.81 (2)
C17—H17C 0.9800 N41—H41B 0.83 (2)
N21—C21 1.430 (3) C41—C42 1.381 (3)
N21—H21A 0.86 (2) C41—C46 1.390 (3)
N21—H21B 0.85 (2) C42—C43 1.387 (3)
C21—C26 1.379 (3) C42—H42 0.9500
C21—C22 1.393 (3) O43—C43 1.370 (3)
O33—C33 1.368 (3) O43—C47 1.428 (3)
O33—C37 1.431 (3) C43—C44 1.385 (3)
C22—C23 1.391 (3) C44—C45 1.383 (3)
C22—H22 0.9500 C44—H44 0.9500
O23—C23 1.366 (3) C45—C46 1.380 (3)
O23—C27 1.430 (3) C45—H45 0.9500
C23—C24 1.391 (3) C46—H46 0.9500
C24—C25 1.371 (3) C47—H47A 0.9800
C24—H24 0.9500 C47—H47B 0.9800
C25—C26 1.397 (3) C47—H47C 0.9800
N11—Ni1—N21 178.52 (8) C21—C26—H26 120.6
N11—Ni1—N31 94.62 (7) C25—C26—H26 120.6
N21—Ni1—N31 86.39 (7) O23—C27—H27A 109.5
N11—Ni1—N41 84.25 (7) O23—C27—H27B 109.5
N21—Ni1—N41 94.75 (7) H27A—C27—H27B 109.5
N31—Ni1—N41 178.66 (8) O23—C27—H27C 109.5
N11—Ni1—Cl1 90.80 (6) H27A—C27—H27C 109.5
N21—Ni1—Cl1 88.04 (6) H27B—C27—H27C 109.5
N31—Ni1—Cl1 94.66 (5) C31—N31—Ni1 125.09 (14)
N41—Ni1—Cl1 86.07 (5) C31—N31—H31A 110.5 (15)
N11—Ni1—Cl2 89.10 (6) Ni1—N31—H31A 100.9 (14)
N21—Ni1—Cl2 92.06 (6) C31—N31—H31B 109.2 (16)
N31—Ni1—Cl2 85.45 (5) Ni1—N31—H31B 101.4 (16)
N41—Ni1—Cl2 93.82 (5) H31A—N31—H31B 109 (2)
Cl1—Ni1—Cl2 179.86 (2) C36—C31—C32 120.8 (2)
C11—N11—Ni1 120.77 (14) C36—C31—N31 120.7 (2)
C11—N11—H11A 109.6 (16) C32—C31—N31 118.46 (19)
Ni1—N11—H11A 100.8 (16) C33—C32—C31 119.3 (2)
C11—N11—H11B 107.7 (16) C33—C32—H32 120.3
Ni1—N11—H11B 106.1 (17) C31—C32—H32 120.3
H11A—N11—H11B 112 (2) O33—C33—C32 123.3 (2)
C16—C11—C12 120.4 (2) O33—C33—C34 116.24 (19)
C16—C11—N11 121.1 (2) C32—C33—C34 120.4 (2)
C12—C11—N11 118.4 (2) C35—C34—C33 119.3 (2)
C13—C12—C11 119.5 (2) C35—C34—H34 120.4
C13—C12—H12 120.3 C33—C34—H34 120.4
C11—C12—H12 120.3 C34—C35—C36 121.2 (2)
C13—O13—C17 116.54 (18) C34—C35—H35 119.4
O13—C13—C12 122.6 (2) C36—C35—H35 119.4
O13—C13—C14 116.7 (2) C31—C36—C35 119.0 (2)
C12—C13—C14 120.7 (2) C31—C36—H36 120.5
C15—C14—C13 119.2 (2) C35—C36—H36 120.5
C15—C14—H14 120.4 O33—C37—H37A 109.5
C13—C14—H14 120.4 O33—C37—H37B 109.5
C14—C15—C16 121.0 (2) H37A—C37—H37B 109.5
C14—C15—H15 119.5 O33—C37—H37C 109.5
C16—C15—H15 119.5 H37A—C37—H37C 109.5
C11—C16—C15 119.2 (2) H37B—C37—H37C 109.5
C11—C16—H16 120.4 C41—N41—Ni1 123.17 (14)
C15—C16—H16 120.4 C41—N41—H41A 109.1 (18)
O13—C17—H17A 109.5 Ni1—N41—H41A 101.2 (17)
O13—C17—H17B 109.5 C41—N41—H41B 109.4 (17)
H17A—C17—H17B 109.5 Ni1—N41—H41B 104.0 (17)
O13—C17—H17C 109.5 H41A—N41—H41B 109 (2)
H17A—C17—H17C 109.5 C42—C41—C46 120.3 (2)
H17B—C17—H17C 109.5 C42—C41—N41 120.1 (2)
C21—N21—Ni1 116.21 (14) C46—C41—N41 119.6 (2)
C21—N21—H21A 109.8 (15) C41—C42—C43 119.9 (2)
Ni1—N21—H21A 105.2 (16) C41—C42—H42 120.1
C21—N21—H21B 107.8 (16) C43—C42—H42 120.1
Ni1—N21—H21B 104.7 (16) C43—O43—C47 116.84 (18)
H21A—N21—H21B 113 (2) O43—C43—C44 123.7 (2)
C26—C21—C22 120.7 (2) O43—C43—C42 115.7 (2)
C26—C21—N21 120.4 (2) C44—C43—C42 120.6 (2)
C22—C21—N21 118.6 (2) C45—C44—C43 118.7 (2)
C33—O33—C37 116.88 (17) C45—C44—H44 120.7
C23—C22—C21 119.3 (2) C43—C44—H44 120.7
C23—C22—H22 120.4 C46—C45—C44 121.7 (2)
C21—C22—H22 120.4 C46—C45—H45 119.2
C23—O23—C27 117.27 (17) C44—C45—H45 119.2
O23—C23—C24 115.8 (2) C45—C46—C41 119.0 (2)
O23—C23—C22 123.7 (2) C45—C46—H46 120.5
C24—C23—C22 120.5 (2) C41—C46—H46 120.5
C25—C24—C23 119.1 (2) O43—C47—H47A 109.5
C25—C24—H24 120.5 O43—C47—H47B 109.5
C23—C24—H24 120.5 H47A—C47—H47B 109.5
C24—C25—C26 121.6 (2) O43—C47—H47C 109.5
C24—C25—H25 119.2 H47A—C47—H47C 109.5
C26—C25—H25 119.2 H47B—C47—H47C 109.5
C21—C26—C25 118.8 (2)
Ni1—N11—C11—C16 102.6 (2) Ni1—N31—C31—C36 88.5 (2)
Ni1—N11—C11—C12 −75.6 (2) Ni1—N31—C31—C32 −91.6 (2)
C16—C11—C12—C13 0.3 (3) C36—C31—C32—C33 −0.2 (3)
N11—C11—C12—C13 178.5 (2) N31—C31—C32—C33 179.85 (19)
C17—O13—C13—C12 −10.9 (3) C37—O33—C33—C32 −1.4 (3)
C17—O13—C13—C14 169.4 (2) C37—O33—C33—C34 178.35 (19)
C11—C12—C13—O13 178.8 (2) C31—C32—C33—O33 −179.19 (19)
C11—C12—C13—C14 −1.5 (3) C31—C32—C33—C34 1.1 (3)
O13—C13—C14—C15 −178.7 (2) O33—C33—C34—C35 179.2 (2)
C12—C13—C14—C15 1.5 (4) C32—C33—C34—C35 −1.0 (3)
C13—C14—C15—C16 −0.4 (4) C33—C34—C35—C36 0.2 (3)
C12—C11—C16—C15 0.8 (3) C32—C31—C36—C35 −0.6 (3)
N11—C11—C16—C15 −177.4 (2) N31—C31—C36—C35 179.3 (2)
C14—C15—C16—C11 −0.8 (4) C34—C35—C36—C31 0.7 (3)
Ni1—N21—C21—C26 90.7 (2) Ni1—N41—C41—C42 −84.4 (2)
Ni1—N21—C21—C22 −84.6 (2) Ni1—N41—C41—C46 92.3 (2)
C26—C21—C22—C23 −0.3 (3) C46—C41—C42—C43 −0.9 (3)
N21—C21—C22—C23 174.9 (2) N41—C41—C42—C43 175.75 (19)
C27—O23—C23—C24 173.2 (2) C47—O43—C43—C44 −0.5 (3)
C27—O23—C23—C22 −7.8 (3) C47—O43—C43—C42 179.32 (19)
C21—C22—C23—O23 −179.01 (19) C41—C42—C43—O43 179.42 (19)
C21—C22—C23—C24 0.0 (3) C41—C42—C43—C44 −0.7 (3)
O23—C23—C24—C25 179.2 (2) O43—C43—C44—C45 −178.6 (2)
C22—C23—C24—C25 0.2 (4) C42—C43—C44—C45 1.5 (3)
C23—C24—C25—C26 0.0 (4) C43—C44—C45—C46 −0.7 (4)
C22—C21—C26—C25 0.5 (3) C44—C45—C46—C41 −0.9 (4)
N21—C21—C26—C25 −174.7 (2) C42—C41—C46—C45 1.7 (3)
C24—C25—C26—C21 −0.3 (4) N41—C41—C46—C45 −175.0 (2)