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. 2018 Oct 19;74(Pt 11):1609–1612. doi: 10.1107/S2056989018014238
Zn1—N2 2.0622 (13) C20—C21 1.374 (3)
Zn1—N2i 2.0622 (13) C20—H20 0.9500
Zn1—N1i 2.0684 (14) C21—C22 1.376 (3)
Zn1—N1 2.0685 (14) C21—H21 0.9500
Zn1—O1 2.1352 (19) C22—C23 1.387 (3)
N1—C4 1.368 (2) C22—H22 0.9500
N1—C1 1.370 (2) C23—H23 0.9500
N2—C9 1.368 (2) N4—C24 1.162 (3)
N2—C6 1.370 (2) C24—S2 1.571 (2)
C1—C10i 1.397 (2) O1—C31 1.436 (2)
C1—C2 1.443 (2) O1—C31i 1.436 (2)
C2—C3 1.348 (2) C31—C32 1.507 (3)
C2—H2 0.9500 C31—H31A 0.9900
C3—C4 1.440 (2) C31—H31B 0.9900
C3—H3 0.9500 C32—H32A 0.9800
C4—C5 1.401 (2) C32—H32B 0.9800
C5—C6 1.404 (2) C32—H32C 0.9800
C5—C11 1.494 (2) O2—C42ii 1.11 (2)
C6—C7 1.440 (2) O2—C42 1.479 (12)
C7—C8 1.355 (3) O2—C43 1.495 (11)
C7—H7 0.9500 O2—C41ii 1.912 (18)
C8—C9 1.440 (2) C41—C44ii 0.755 (17)
C8—H8 0.9500 C41—C43ii 0.900 (18)
C9—C10 1.401 (2) C41—C42 1.499 (14)
C10—C1i 1.397 (2) C41—O2ii 1.912 (18)
C10—C18 1.494 (2) C41—H41A 0.9600
C11—C16 1.391 (3) C41—H41B 0.9599
C11—C12 1.398 (3) C41—H41C 0.9600
C12—C13 1.390 (3) C42—C43ii 0.703 (16)
C12—N3 1.393 (2) C42—O2ii 1.11 (2)
C13—C14 1.370 (3) C42—C42ii 1.92 (3)
C13—H13 0.9500 C42—H42A 0.9601
C14—C15 1.384 (3) C42—H42B 0.9599
C14—H14 0.9500 C43—C42ii 0.703 (16)
C15—C16 1.385 (3) C43—C41ii 0.900 (18)
C15—H15 0.9500 C43—C44 1.446 (14)
C16—H16 0.9500 C43—H43A 0.9599
N3—C17 1.170 (3) C43—H43B 0.9600
C17—S1 1.576 (2) C44—C41ii 0.755 (17)
C18—C23 1.389 (3) C44—H44A 0.9600
C18—C19 1.394 (3) C44—H44B 0.9600
C19—N4 1.392 (3) C44—H44C 0.9599
C19—C20 1.394 (3)
N2—Zn1—N2i 164.44 (8) C31—O1—Zn1 122.65 (11)
N2—Zn1—N1i 88.85 (6) C31i—O1—Zn1 122.65 (11)
N2i—Zn1—N1i 88.54 (6) O1—C31—C32 111.82 (17)
N2—Zn1—N1 88.54 (6) O1—C31—H31A 109.3
N2i—Zn1—N1 88.85 (6) C32—C31—H31A 109.3
N1i—Zn1—N1 160.61 (8) O1—C31—H31B 109.3
N2—Zn1—O1 97.78 (4) C32—C31—H31B 109.3
N2i—Zn1—O1 97.78 (4) H31A—C31—H31B 107.9
N1i—Zn1—O1 99.69 (4) C31—C32—H32A 109.5
N1—Zn1—O1 99.69 (4) C31—C32—H32B 109.5
C4—N1—C1 106.50 (14) H32A—C32—H32B 109.5
C4—N1—Zn1 126.59 (11) C31—C32—H32C 109.5
C1—N1—Zn1 126.82 (11) H32A—C32—H32C 109.5
C9—N2—C6 106.88 (13) H32B—C32—H32C 109.5
C9—N2—Zn1 126.26 (11) C42ii—O2—C42 94.7 (13)
C6—N2—Zn1 126.16 (11) C42ii—O2—C43 26.4 (9)
N1—C1—C10i 125.29 (15) C42—O2—C43 120.3 (9)
N1—C1—C2 109.66 (14) C42ii—O2—C41ii 51.6 (8)
C10i—C1—C2 125.05 (16) C42—O2—C41ii 146.0 (10)
C3—C2—C1 106.91 (15) C43—O2—C41ii 27.3 (8)
C3—C2—H2 126.5 C44ii—C41—C43ii 122 (3)
C1—C2—H2 126.5 C44ii—C41—C42 137 (3)
C2—C3—C4 107.20 (15) C43ii—C41—C42 18.1 (13)
C2—C3—H3 126.4 C44ii—C41—O2ii 129 (2)
C4—C3—H3 126.4 C43ii—C41—O2ii 49.6 (12)
N1—C4—C5 125.53 (15) C42—C41—O2ii 35.6 (7)
N1—C4—C3 109.70 (14) C44ii—C41—H41A 60.7
C5—C4—C3 124.76 (16) C43ii—C41—H41A 94.4
C4—C5—C6 125.25 (16) C42—C41—H41A 110.3
C4—C5—C11 117.74 (15) O2ii—C41—H41A 143.7
C6—C5—C11 116.99 (15) C44ii—C41—H41B 114.2
N2—C6—C5 125.30 (15) C43ii—C41—H41B 124.1
N2—C6—C7 109.32 (15) C42—C41—H41B 108.7
C5—C6—C7 125.28 (16) O2ii—C41—H41B 97.5
C8—C7—C6 107.28 (16) H41A—C41—H41B 109.5
C8—C7—H7 126.4 C44ii—C41—H41C 50.2
C6—C7—H7 126.4 C43ii—C41—H41C 108.5
C7—C8—C9 106.85 (15) C42—C41—H41C 109.4
C7—C8—H8 126.6 O2ii—C41—H41C 82.6
C9—C8—H8 126.6 H41A—C41—H41C 109.5
N2—C9—C10 125.61 (15) H41B—C41—H41C 109.5
N2—C9—C8 109.64 (15) C43ii—C42—O2ii 109 (2)
C10—C9—C8 124.73 (16) C43ii—C42—O2 127 (2)
C1i—C10—C9 125.76 (16) O2ii—C42—O2 20.8 (8)
C1i—C10—C18 116.90 (15) C43ii—C42—C41 23 (2)
C9—C10—C18 117.33 (15) O2ii—C42—C41 92.9 (12)
C16—C11—C12 117.55 (16) O2—C42—C41 108.1 (13)
C16—C11—C5 120.98 (17) C43ii—C42—C42ii 156 (3)
C12—C11—C5 121.45 (16) O2ii—C42—C42ii 50.1 (8)
C13—C12—N3 117.92 (18) O2—C42—C42ii 35.3 (7)
C13—C12—C11 121.16 (18) C41—C42—C42ii 142.7 (10)
N3—C12—C11 120.92 (16) C43ii—C42—H42A 107.4
C14—C13—C12 119.9 (2) O2ii—C42—H42A 132.6
C14—C13—H13 120.0 O2—C42—H42A 112.6
C12—C13—H13 120.0 C41—C42—H42A 109.5
C13—C14—C15 120.15 (18) C42ii—C42—H42A 96.5
C13—C14—H14 119.9 C43ii—C42—H42B 88.1
C15—C14—H14 119.9 O2ii—C42—H42B 102.7
C14—C15—C16 119.83 (18) O2—C42—H42B 109.6
C14—C15—H15 120.1 C41—C42—H42B 108.8
C16—C15—H15 120.1 C42ii—C42—H42B 86.7
C15—C16—C11 121.34 (19) H42A—C42—H42B 108.1
C15—C16—H16 119.3 C42ii—C43—C41ii 138 (3)
C11—C16—H16 119.3 C42ii—C43—C44 158 (2)
C17—N3—C12 157.6 (2) C41ii—C43—C44 26.4 (16)
N3—C17—S1 176.6 (2) C42ii—C43—O2 44.9 (18)
C23—C18—C19 117.82 (16) C41ii—C43—O2 103.2 (17)
C23—C18—C10 121.48 (16) C44—C43—O2 113.4 (10)
C19—C18—C10 120.68 (17) C42ii—C43—H43A 83.7
N4—C19—C20 119.79 (18) C41ii—C43—H43A 83.3
N4—C19—C18 118.78 (16) C44—C43—H43A 102.7
C20—C19—C18 121.44 (19) O2—C43—H43A 107.3
C21—C20—C19 119.2 (2) C42ii—C43—H43B 86.1
C21—C20—H20 120.4 C41ii—C43—H43B 135.5
C19—C20—H20 120.4 C44—C43—H43B 111.5
C20—C21—C22 120.49 (18) O2—C43—H43B 113.6
C20—C21—H21 119.8 H43A—C43—H43B 107.3
C22—C21—H21 119.8 C41ii—C44—C43 32.0 (18)
C21—C22—C23 120.1 (2) C41ii—C44—H44A 115.3
C21—C22—H22 119.9 C43—C44—H44A 111.3
C23—C22—H22 119.9 C41ii—C44—H44B 82.6
C22—C23—C18 120.90 (19) C43—C44—H44B 113.0
C22—C23—H23 119.5 H44A—C44—H44B 109.5
C18—C23—H23 119.5 C41ii—C44—H44C 126.1
C24—N4—C19 161.5 (2) C43—C44—H44C 104.0
N4—C24—S2 178.01 (19) H44A—C44—H44C 109.5
C31—O1—C31i 114.7 (2) H44B—C44—H44C 109.5