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. 2022 Feb 10;78(Pt 3):317–321. doi: 10.1107/S2056989022001475
Zn1—N1A 1.958 (4) O3B—C3B 1.361 (7)
Zn1—N2A 1.966 (5) O3B—C2B 1.456 (11)
Zn1—O2A 1.974 (4) O3B—C2D 1.46 (3)
Zn1—O1A 2.025 (4) O4B—C9B 1.419 (8)
Zn1—O4A 2.727 (6) O4B—C8B 1.425 (7)
O1A—C3A 1.246 (6) O5B—C12B 1.371 (7)
O2A—C12A 1.271 (6) O5B—C11D 1.42 (3)
O3A—C3A 1.364 (6) O5B—C11B 1.429 (15)
O3A—C2A 1.444 (7) O6B—C18B 1.429 (7)
O4A—C8A 1.376 (8) O6B—C17B 1.442 (8)
O4A—C9A 1.412 (8) N1B—C5B 1.322 (7)
O5A—C12A 1.355 (6) N1B—C7B 1.458 (7)
O5A—C11A 1.450 (7) N2B—C14B 1.312 (7)
O6A—C18A 1.400 (7) N2B—C16B 1.457 (8)
O6A—C17A 1.431 (7) C1B—C2B 1.509 (10)
N1A—C5A 1.329 (7) C1B—H1B1 0.9800
N1A—C7A 1.490 (8) C1B—H1B2 0.9800
N2A—C14A 1.306 (7) C1B—H1B3 0.9800
N2A—C16A 1.462 (6) C2B—H2B1 0.9900
C1A—C2A 1.502 (9) C2B—H2B2 0.9900
C1A—H1AA 0.9800 C1D—C2D 1.508 (11)
C1A—H1AB 0.9800 C1D—H1D1 0.9800
C1A—H1AC 0.9800 C1D—H1D2 0.9800
C2A—H2AA 0.9900 C1D—H1D3 0.9800
C2A—H2AB 0.9900 C2D—H2D1 0.9900
C3A—C4A 1.382 (8) C2D—H2D2 0.9900
C4A—C5A 1.399 (8) C3B—C4B 1.387 (8)
C4A—H4AA 0.9500 C4B—C5B 1.405 (8)
C5A—C6A 1.502 (7) C4B—H4BA 0.9500
C6A—H6AA 0.9800 C5B—C6B 1.518 (7)
C6A—H6AB 0.9800 C6B—H6BA 0.9800
C6A—H6AC 0.9800 C6B—H6BB 0.9800
C7A—C8A 1.483 (9) C6B—H6BC 0.9800
C7A—H7AA 0.9900 C7B—C8B 1.518 (9)
C7A—H7AB 0.9900 C7B—H7BA 0.9900
C8A—H8AA 0.9900 C7B—H7BB 0.9900
C8A—H8AB 0.9900 C8B—H8BA 0.9900
C9A—H9AA 0.9800 C8B—H8BB 0.9900
C9A—H9AB 0.9800 C9B—H9BA 0.9800
C9A—H9AC 0.9800 C9B—H9BB 0.9800
C10A—C11A 1.475 (9) C9B—H9BC 0.9800
C10A—H10A 0.9800 C10B—C11B 1.515 (9)
C10A—H10B 0.9800 C10B—H10G 0.9800
C10A—H10C 0.9800 C10B—H10H 0.9800
C11A—H11A 0.9900 C10B—H10I 0.9800
C11A—H11B 0.9900 C11B—H11E 0.9900
C12A—C13A 1.384 (8) C11B—H11F 0.9900
C13A—C14A 1.406 (7) C10D—C11D 1.515 (9)
C13A—H13A 0.9500 C10D—H10D 0.9800
C14A—C15A 1.520 (7) C10D—H10E 0.9800
C15A—H15A 0.9800 C10D—H10F 0.9800
C15A—H15B 0.9800 C11D—H11C 0.9900
C15A—H15C 0.9799 C11D—H11D 0.9900
C16A—C17A 1.511 (8) C12B—C13B 1.400 (8)
C16A—H16A 0.9900 C13B—C14B 1.398 (8)
C16A—H16B 0.9900 C13B—H13B 0.9500
C17A—H17A 0.9900 C14B—C15B 1.525 (8)
C17A—H17B 0.9900 C15B—H15D 0.9801
C18A—H18A 0.9800 C15B—H15E 0.9800
C18A—H18B 0.9800 C15B—H15F 0.9800
C18A—H18C 0.9800 C16B—C17B 1.484 (9)
Zn2—N1B 1.990 (4) C16B—H16C 0.9900
Zn2—N2B 2.004 (5) C16B—H16D 0.9900
Zn2—O1B 2.017 (4) C17B—H17C 0.9900
Zn2—O2B 2.045 (4) C17B—H17D 0.9900
Zn2—O6B 2.514 (4) C18B—H18D 0.9800
Zn2—O4B 2.661 (4) C18B—H18E 0.9800
O1B—C3B 1.253 (7) C18B—H18F 0.9800
O2B—C12B 1.247 (7)
N1A—Zn1—N2A 144.05 (19) C3B—O3B—C2B 114.1 (5)
N1A—Zn1—O2A 112.56 (17) C3B—O3B—C2D 123.2 (8)
N2A—Zn1—O2A 94.98 (17) C9B—O4B—C8B 111.1 (5)
N1A—Zn1—O1A 95.04 (17) C9B—O4B—Zn2 117.3 (4)
N2A—Zn1—O1A 96.25 (17) C8B—O4B—Zn2 91.2 (3)
O2A—Zn1—O1A 110.72 (18) C12B—O5B—C11D 115.2 (7)
N1A—Zn1—O4A 71.83 (18) C12B—O5B—C11B 116.4 (5)
N2A—Zn1—O4A 84.34 (17) C18B—O6B—C17B 112.6 (5)
O2A—Zn1—O4A 93.49 (18) C18B—O6B—Zn2 123.6 (4)
O1A—Zn1—O4A 155.58 (17) C17B—O6B—Zn2 100.0 (3)
C3A—O1A—Zn1 121.6 (3) C5B—N1B—C7B 118.2 (5)
C12A—O2A—Zn1 120.7 (4) C5B—N1B—Zn2 121.9 (4)
C3A—O3A—C2A 116.8 (4) C7B—N1B—Zn2 119.1 (4)
C8A—O4A—C9A 111.7 (6) C14B—N2B—C16B 119.5 (5)
C8A—O4A—Zn1 88.8 (4) C14B—N2B—Zn2 124.7 (4)
C9A—O4A—Zn1 119.6 (4) C16B—N2B—Zn2 115.6 (4)
C12A—O5A—C11A 117.2 (4) C2B—C1B—H1B1 109.5
C18A—O6A—C17A 110.8 (5) C2B—C1B—H1B2 109.5
C5A—N1A—C7A 117.1 (5) H1B1—C1B—H1B2 109.5
C5A—N1A—Zn1 123.3 (4) C2B—C1B—H1B3 109.5
C7A—N1A—Zn1 119.6 (4) H1B1—C1B—H1B3 109.5
C14A—N2A—C16A 121.2 (5) H1B2—C1B—H1B3 109.5
C14A—N2A—Zn1 124.2 (4) O3B—C2B—C1B 106.7 (7)
C16A—N2A—Zn1 114.6 (3) O3B—C2B—H2B1 110.4
C2A—C1A—H1AA 109.5 C1B—C2B—H2B1 110.4
C2A—C1A—H1AB 109.5 O3B—C2B—H2B2 110.4
H1AA—C1A—H1AB 109.5 C1B—C2B—H2B2 110.4
C2A—C1A—H1AC 109.5 H2B1—C2B—H2B2 108.6
H1AA—C1A—H1AC 109.5 C2D—C1D—H1D1 109.5
H1AB—C1A—H1AC 109.5 C2D—C1D—H1D2 109.5
O3A—C2A—C1A 107.7 (5) H1D1—C1D—H1D2 109.5
O3A—C2A—H2AA 110.2 C2D—C1D—H1D3 109.5
C1A—C2A—H2AA 110.2 H1D1—C1D—H1D3 109.5
O3A—C2A—H2AB 110.2 H1D2—C1D—H1D3 109.5
C1A—C2A—H2AB 110.2 O3B—C2D—C1D 99.9 (15)
H2AA—C2A—H2AB 108.5 O3B—C2D—H2D1 111.8
O1A—C3A—O3A 118.0 (5) C1D—C2D—H2D1 111.8
O1A—C3A—C4A 128.0 (5) O3B—C2D—H2D2 111.8
O3A—C3A—C4A 114.0 (5) C1D—C2D—H2D2 111.8
C3A—C4A—C5A 127.6 (5) H2D1—C2D—H2D2 109.5
C3A—C4A—H4AA 116.2 O1B—C3B—O3B 117.9 (5)
C5A—C4A—H4AA 116.2 O1B—C3B—C4B 128.9 (5)
N1A—C5A—C4A 124.1 (5) O3B—C3B—C4B 113.2 (5)
N1A—C5A—C6A 119.7 (5) C3B—C4B—C5B 126.8 (5)
C4A—C5A—C6A 116.3 (5) C3B—C4B—H4BA 116.6
C5A—C6A—H6AA 109.5 C5B—C4B—H4BA 116.6
C5A—C6A—H6AB 109.5 N1B—C5B—C4B 125.0 (5)
H6AA—C6A—H6AB 109.5 N1B—C5B—C6B 120.0 (5)
C5A—C6A—H6AC 109.5 C4B—C5B—C6B 115.1 (5)
H6AA—C6A—H6AC 109.5 C5B—C6B—H6BA 109.5
H6AB—C6A—H6AC 109.5 C5B—C6B—H6BB 109.5
C8A—C7A—N1A 111.9 (5) H6BA—C6B—H6BB 109.5
C8A—C7A—H7AA 109.2 C5B—C6B—H6BC 109.5
N1A—C7A—H7AA 109.2 H6BA—C6B—H6BC 109.5
C8A—C7A—H7AB 109.2 H6BB—C6B—H6BC 109.5
N1A—C7A—H7AB 109.2 N1B—C7B—C8B 112.0 (5)
H7AA—C7A—H7AB 107.9 N1B—C7B—H7BA 109.2
O4A—C8A—C7A 112.5 (6) C8B—C7B—H7BA 109.2
O4A—C8A—H8AA 109.1 N1B—C7B—H7BB 109.2
C7A—C8A—H8AA 109.1 C8B—C7B—H7BB 109.2
O4A—C8A—H8AB 109.1 H7BA—C7B—H7BB 107.9
C7A—C8A—H8AB 109.1 O4B—C8B—C7B 107.0 (4)
H8AA—C8A—H8AB 107.8 O4B—C8B—H8BA 110.3
O4A—C9A—H9AA 109.5 C7B—C8B—H8BA 110.3
O4A—C9A—H9AB 109.5 O4B—C8B—H8BB 110.3
H9AA—C9A—H9AB 109.5 C7B—C8B—H8BB 110.3
O4A—C9A—H9AC 109.5 H8BA—C8B—H8BB 108.6
H9AA—C9A—H9AC 109.5 O4B—C9B—H9BA 109.5
H9AB—C9A—H9AC 109.5 O4B—C9B—H9BB 109.5
C11A—C10A—H10A 109.5 H9BA—C9B—H9BB 109.5
C11A—C10A—H10B 109.5 O4B—C9B—H9BC 109.5
H10A—C10A—H10B 109.5 H9BA—C9B—H9BC 109.5
C11A—C10A—H10C 109.5 H9BB—C9B—H9BC 109.5
H10A—C10A—H10C 109.5 C11B—C10B—H10G 109.5
H10B—C10A—H10C 109.5 C11B—C10B—H10H 109.5
O5A—C11A—C10A 108.1 (5) H10G—C10B—H10H 109.5
O5A—C11A—H11A 110.1 C11B—C10B—H10I 109.5
C10A—C11A—H11A 110.1 H10G—C10B—H10I 109.5
O5A—C11A—H11B 110.1 H10H—C10B—H10I 109.5
C10A—C11A—H11B 110.1 O5B—C11B—C10B 107.2 (9)
H11A—C11A—H11B 108.4 O5B—C11B—H11E 110.3
O2A—C12A—O5A 116.8 (5) C10B—C11B—H11E 110.3
O2A—C12A—C13A 129.0 (5) O5B—C11B—H11F 110.3
O5A—C12A—C13A 114.2 (4) C10B—C11B—H11F 110.3
C12A—C13A—C14A 125.9 (5) H11E—C11B—H11F 108.5
C12A—C13A—H13A 117.0 C11D—C10D—H10D 109.5
C14A—C13A—H13A 117.0 C11D—C10D—H10E 109.5
N2A—C14A—C13A 123.6 (5) H10D—C10D—H10E 109.5
N2A—C14A—C15A 121.2 (5) C11D—C10D—H10F 109.5
C13A—C14A—C15A 115.2 (4) H10D—C10D—H10F 109.5
C14A—C15A—H15A 109.2 H10E—C10D—H10F 109.5
C14A—C15A—H15B 109.6 O5B—C11D—C10D 108.5 (17)
H15A—C15A—H15B 109.5 O5B—C11D—H11C 110.0
C14A—C15A—H15C 109.6 C10D—C11D—H11C 110.0
H15A—C15A—H15C 109.5 O5B—C11D—H11D 110.0
H15B—C15A—H15C 109.5 C10D—C11D—H11D 110.0
N2A—C16A—C17A 111.6 (4) H11C—C11D—H11D 108.4
N2A—C16A—H16A 109.3 O2B—C12B—O5B 118.0 (5)
C17A—C16A—H16A 109.3 O2B—C12B—C13B 129.1 (5)
N2A—C16A—H16B 109.3 O5B—C12B—C13B 112.9 (5)
C17A—C16A—H16B 109.3 C14B—C13B—C12B 125.5 (5)
H16A—C16A—H16B 108.0 C14B—C13B—H13B 117.2
O6A—C17A—C16A 107.0 (4) C12B—C13B—H13B 117.2
O6A—C17A—H17A 110.3 N2B—C14B—C13B 125.2 (5)
C16A—C17A—H17A 110.3 N2B—C14B—C15B 120.4 (5)
O6A—C17A—H17B 110.3 C13B—C14B—C15B 114.5 (5)
C16A—C17A—H17B 110.3 C14B—C15B—H15D 109.3
H17A—C17A—H17B 108.6 C14B—C15B—H15E 109.6
O6A—C18A—H18A 109.5 H15D—C15B—H15E 109.5
O6A—C18A—H18B 109.5 C14B—C15B—H15F 109.5
H18A—C18A—H18B 109.5 H15D—C15B—H15F 109.5
O6A—C18A—H18C 109.5 H15E—C15B—H15F 109.5
H18A—C18A—H18C 109.5 N2B—C16B—C17B 112.2 (5)
H18B—C18A—H18C 109.5 N2B—C16B—H16C 109.2
N1B—Zn2—N2B 152.5 (2) C17B—C16B—H16C 109.2
N1B—Zn2—O1B 95.08 (17) N2B—C16B—H16D 109.2
N2B—Zn2—O1B 104.33 (18) C17B—C16B—H16D 109.2
N1B—Zn2—O2B 101.90 (17) H16C—C16B—H16D 107.9
N2B—Zn2—O2B 92.60 (18) O6B—C17B—C16B 106.8 (5)
O1B—Zn2—O2B 102.98 (17) O6B—C17B—H17C 110.4
N1B—Zn2—O6B 86.02 (16) C16B—C17B—H17C 110.4
N2B—Zn2—O6B 76.39 (17) O6B—C17B—H17D 110.4
O1B—Zn2—O6B 85.76 (16) C16B—C17B—H17D 110.4
O2B—Zn2—O6B 167.48 (16) H17C—C17B—H17D 108.6
N1B—Zn2—O4B 73.58 (16) O6B—C18B—H18D 109.5
N2B—Zn2—O4B 83.20 (17) O6B—C18B—H18E 109.5
O1B—Zn2—O4B 164.14 (14) H18D—C18B—H18E 109.5
O2B—Zn2—O4B 90.42 (15) O6B—C18B—H18F 109.5
O6B—Zn2—O4B 82.46 (14) H18D—C18B—H18F 109.5
C3B—O1B—Zn2 120.9 (3) H18E—C18B—H18F 109.5
C12B—O2B—Zn2 122.8 (4)
C3A—O3A—C2A—C1A 175.4 (5) C2B—O3B—C3B—O1B 10.7 (9)
Zn1—O1A—C3A—O3A 173.9 (4) C2D—O3B—C3B—O1B −10.6 (11)
Zn1—O1A—C3A—C4A −5.1 (8) C2B—O3B—C3B—C4B −169.3 (7)
C2A—O3A—C3A—O1A −4.7 (8) C2D—O3B—C3B—C4B 169.4 (8)
C2A—O3A—C3A—C4A 174.4 (5) O1B—C3B—C4B—C5B 0.3 (11)
O1A—C3A—C4A—C5A −0.6 (10) O3B—C3B—C4B—C5B −179.7 (6)
O3A—C3A—C4A—C5A −179.6 (5) C7B—N1B—C5B—C4B −178.4 (5)
C7A—N1A—C5A—C4A 178.6 (5) Zn2—N1B—C5B—C4B −8.9 (7)
Zn1—N1A—C5A—C4A −2.2 (7) C7B—N1B—C5B—C6B 0.1 (7)
C7A—N1A—C5A—C6A −2.7 (7) Zn2—N1B—C5B—C6B 169.6 (4)
Zn1—N1A—C5A—C6A 176.5 (4) C3B—C4B—C5B—N1B 0.2 (10)
C3A—C4A—C5A—N1A 4.8 (9) C3B—C4B—C5B—C6B −178.3 (6)
C3A—C4A—C5A—C6A −173.9 (6) C5B—N1B—C7B—C8B −174.2 (5)
C5A—N1A—C7A—C8A −179.3 (5) Zn2—N1B—C7B—C8B 15.9 (6)
Zn1—N1A—C7A—C8A 1.4 (7) C9B—O4B—C8B—C7B 179.0 (5)
C9A—O4A—C8A—C7A −179.8 (6) Zn2—O4B—C8B—C7B 59.0 (4)
Zn1—O4A—C8A—C7A −58.2 (6) N1B—C7B—C8B—O4B −60.8 (6)
N1A—C7A—C8A—O4A 51.8 (9) C12B—O5B—C11B—C10B 172.8 (9)
C12A—O5A—C11A—C10A −171.2 (5) C12B—O5B—C11D—C10D −167.1 (14)
Zn1—O2A—C12A—O5A 169.2 (3) Zn2—O2B—C12B—O5B 179.9 (3)
Zn1—O2A—C12A—C13A −11.9 (8) Zn2—O2B—C12B—C13B 0.7 (8)
C11A—O5A—C12A—O2A 5.1 (7) C11D—O5B—C12B—O2B −2.9 (15)
C11A—O5A—C12A—C13A −173.9 (5) C11B—O5B—C12B—O2B −1.0 (10)
O2A—C12A—C13A—C14A 1.1 (9) C11D—O5B—C12B—C13B 176.4 (14)
O5A—C12A—C13A—C14A 180.0 (5) C11B—O5B—C12B—C13B 178.3 (9)
C16A—N2A—C14A—C13A −177.4 (5) O2B—C12B—C13B—C14B 0.4 (10)
Zn1—N2A—C14A—C13A 0.5 (7) O5B—C12B—C13B—C14B −178.8 (5)
C16A—N2A—C14A—C15A 0.1 (8) C16B—N2B—C14B—C13B 179.4 (6)
Zn1—N2A—C14A—C15A 178.0 (4) Zn2—N2B—C14B—C13B 5.4 (8)
C12A—C13A—C14A—N2A 5.6 (8) C16B—N2B—C14B—C15B −1.1 (9)
C12A—C13A—C14A—C15A −172.0 (5) Zn2—N2B—C14B—C15B −175.2 (5)
C14A—N2A—C16A—C17A −108.3 (6) C12B—C13B—C14B—N2B −3.8 (9)
Zn1—N2A—C16A—C17A 73.6 (5) C12B—C13B—C14B—C15B 176.7 (6)
C18A—O6A—C17A—C16A −176.4 (5) C14B—N2B—C16B—C17B 145.5 (6)
N2A—C16A—C17A—O6A 71.1 (6) Zn2—N2B—C16B—C17B −39.9 (7)
C3B—O3B—C2B—C1B 175.8 (7) C18B—O6B—C17B—C16B −179.9 (5)
C3B—O3B—C2D—C1D 101.5 (11) Zn2—O6B—C17B—C16B −46.9 (5)
Zn2—O1B—C3B—O3B −172.2 (4) N2B—C16B—C17B—O6B 61.7 (7)
Zn2—O1B—C3B—C4B 7.7 (9)