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. 2022 Apr 22;78(Pt 5):500–505. doi: 10.1107/S2056989022003954
Ni1—N1 1.8587 (14) C7—H7 0.96 (2)
Ni1—N3 1.9268 (14) C8—C9A 1.526 (3)
Ni1—N2 1.9345 (13) C8—C9B 1.601 (12)
Ni1—S1 2.1421 (5) C8—H8C 0.9900
S1—C1 1.7396 (17) C8—H8D 0.9900
N1—C7 1.289 (2) C8—H8A 0.96 (2)
N1—C8 1.499 (2) C8—H8B 0.94 (2)
N2—C10B 1.425 (12) C11—C10A 1.513 (3)
N2—C9A 1.473 (2) C11—C10B 1.604 (12)
N2—C10A 1.488 (2) C11—H11C 0.9900
N2—C9B 1.496 (12) C11—H11D 0.9900
N2—C12A 1.507 (2) C11—H11A 0.97 (2)
N2—C12B 1.566 (12) C11—H11B 0.96 (2)
N3—C11 1.492 (2) C9A—H9A 1.02 (2)
N3—HN3A 0.93 (2) C9A—H9B 1.06 (3)
N3—HN3B 0.841 (19) C10A—H10A 0.97 (2)
C1—C2 1.404 (2) C10A—H10B 1.02 (2)
C1—C6 1.411 (2) C12A—H12A 1.02 (3)
C2—C3 1.380 (3) C12A—H12B 0.99 (2)
C2—H2 0.953 (19) C12A—H12C 1.00 (2)
C3—C4 1.388 (3) C9B—H9C 0.9900
C3—H3 0.89 (2) C9B—H9D 0.9900
C4—C5 1.365 (3) C10B—H10C 0.9900
C4—H4 0.94 (2) C10B—H10D 0.9900
C5—C6 1.417 (2) C12B—H12D 0.9800
C5—H5 0.93 (2) C12B—H12E 0.9800
C6—C7 1.435 (2) C12B—H12F 0.9800
N1—Ni1—N3 172.68 (6) H8C—C8—H8D 109.1
N1—Ni1—N2 86.53 (6) N1—C8—H8A 109.7 (13)
N3—Ni1—N2 86.16 (6) C9A—C8—H8A 112.8 (13)
N1—Ni1—S1 97.77 (5) N1—C8—H8B 107.9 (13)
N3—Ni1—S1 89.53 (5) C9A—C8—H8B 110.8 (14)
N2—Ni1—S1 175.49 (4) H8A—C8—H8B 108.6 (18)
C1—S1—Ni1 111.00 (6) N3—C11—C10A 107.33 (15)
C7—N1—C8 114.95 (14) N3—C11—C10B 106.1 (5)
C7—N1—Ni1 131.91 (12) N3—C11—H11C 110.5
C8—N1—Ni1 113.07 (11) C10B—C11—H11C 110.5
C9A—N2—C10A 112.64 (15) N3—C11—H11D 110.5
C10B—N2—C9B 117.1 (7) C10B—C11—H11D 110.5
C9A—N2—C12A 111.16 (15) H11C—C11—H11D 108.7
C10A—N2—C12A 109.86 (15) N3—C11—H11A 107.3 (12)
C10B—N2—C12B 109.6 (7) C10A—C11—H11A 112.3 (12)
C9B—N2—C12B 106.3 (7) N3—C11—H11B 111.8 (12)
C10B—N2—Ni1 110.0 (5) C10A—C11—H11B 111.6 (13)
C9A—N2—Ni1 105.56 (11) H11A—C11—H11B 106.5 (17)
C10A—N2—Ni1 106.80 (12) N2—C9A—C8 106.59 (16)
C9B—N2—Ni1 107.7 (4) N2—C9A—H9A 112.3 (13)
C12A—N2—Ni1 110.66 (12) C8—C9A—H9A 112.1 (14)
C12B—N2—Ni1 105.4 (5) N2—C9A—H9B 102.4 (15)
C11—N3—Ni1 111.83 (11) C8—C9A—H9B 115.4 (14)
C11—N3—HN3A 107.1 (13) H9A—C9A—H9B 108 (2)
Ni1—N3—HN3A 104.2 (14) N2—C10A—C11 107.20 (15)
C11—N3—HN3B 107.7 (13) N2—C10A—H10A 110.9 (14)
Ni1—N3—HN3B 110.2 (13) C11—C10A—H10A 113.2 (14)
HN3A—N3—HN3B 115.9 (19) N2—C10A—H10B 104.3 (13)
C2—C1—C6 117.68 (15) C11—C10A—H10B 112.4 (14)
C2—C1—S1 117.14 (13) H10A—C10A—H10B 108.4 (18)
C6—C1—S1 125.17 (13) N2—C12A—H12A 108.2 (13)
C3—C2—C1 121.38 (18) N2—C12A—H12B 109.1 (13)
C3—C2—H2 119.5 (11) H12A—C12A—H12B 106.5 (19)
C1—C2—H2 119.1 (11) N2—C12A—H12C 110.2 (14)
C2—C3—C4 121.23 (18) H12A—C12A—H12C 112.4 (19)
C2—C3—H3 118.2 (13) H12B—C12A—H12C 110.2 (18)
C4—C3—H3 120.6 (13) N2—C9B—C8 101.8 (7)
C5—C4—C3 118.43 (17) N2—C9B—H9C 111.4
C5—C4—H4 120.9 (13) C8—C9B—H9C 111.4
C3—C4—H4 120.7 (13) N2—C9B—H9D 111.4
C4—C5—C6 122.11 (17) C8—C9B—H9D 111.4
C4—C5—H5 124.1 (13) H9C—C9B—H9D 109.3
C6—C5—H5 113.8 (12) N2—C10B—C11 105.6 (7)
C1—C6—C5 119.10 (16) N2—C10B—H10C 110.6
C1—C6—C7 124.70 (15) C11—C10B—H10C 110.6
C5—C6—C7 116.12 (15) N2—C10B—H10D 110.6
N1—C7—C6 128.09 (16) C11—C10B—H10D 110.6
N1—C7—H7 118.1 (11) H10C—C10B—H10D 108.7
C6—C7—H7 113.8 (11) N2—C12B—H12D 109.5
N1—C8—C9A 106.96 (15) N2—C12B—H12E 109.5
N1—C8—C9B 102.9 (4) H12D—C12B—H12E 109.5
N1—C8—H8C 111.2 N2—C12B—H12F 109.5
C9B—C8—H8C 111.2 H12D—C12B—H12F 109.5
N1—C8—H8D 111.2 H12E—C12B—H12F 109.5
C9B—C8—H8D 111.2
N2—Ni1—N1—C7 168.82 (17) C12A—N2—C9A—C8 71.6 (2)
S1—Ni1—N1—C7 −12.54 (17) C12B—N2—C9A—C8 −146.3 (7)
N2—Ni1—N1—C8 −7.83 (13) Ni1—N2—C9A—C8 −48.46 (18)
S1—Ni1—N1—C8 170.81 (12) N1—C8—C9A—N2 42.9 (2)
Ni1—S1—C1—C2 177.10 (12) C9B—C8—C9A—N2 −50.5 (5)
Ni1—S1—C1—C6 −3.70 (17) C10B—N2—C10A—C11 −55.6 (6)
C6—C1—C2—C3 2.3 (3) C9A—N2—C10A—C11 162.30 (16)
S1—C1—C2—C3 −178.40 (15) C9B—N2—C10A—C11 −137.0 (9)
C1—C2—C3—C4 −0.2 (3) C12A—N2—C10A—C11 −73.2 (2)
C2—C3—C4—C5 −1.8 (3) C12B—N2—C10A—C11 145.6 (6)
C3—C4—C5—C6 1.6 (3) Ni1—N2—C10A—C11 46.86 (18)
C2—C1—C6—C5 −2.5 (3) N3—C11—C10A—N2 −45.4 (2)
S1—C1—C6—C5 178.33 (13) C10B—C11—C10A—N2 50.7 (6)
C2—C1—C6—C7 174.18 (17) C10B—N2—C9B—C8 173.6 (7)
S1—C1—C6—C7 −5.0 (3) C9A—N2—C9B—C8 −47.8 (4)
C4—C5—C6—C1 0.5 (3) C10A—N2—C9B—C8 −127.0 (6)
C4—C5—C6—C7 −176.40 (18) C12A—N2—C9B—C8 153.0 (8)
C8—N1—C7—C6 −177.03 (18) C12B—N2—C9B—C8 −63.5 (8)
Ni1—N1—C7—C6 6.4 (3) Ni1—N2—C9B—C8 49.1 (6)
C1—C6—C7—N1 5.2 (3) N1—C8—C9B—N2 −53.5 (6)
C5—C6—C7—N1 −178.09 (18) C9A—C8—C9B—N2 48.0 (4)
C7—N1—C8—C9A 165.20 (17) C9A—N2—C10B—C11 124.5 (6)
Ni1—N1—C8—C9A −17.6 (2) C10A—N2—C10B—C11 50.5 (5)
C7—N1—C8—C9B −141.0 (5) C9B—N2—C10B—C11 −168.6 (6)
Ni1—N1—C8—C9B 36.2 (5) C12A—N2—C10B—C11 −148.4 (9)
Ni1—N3—C11—C10A 23.43 (19) C12B—N2—C10B—C11 70.2 (9)
Ni1—N3—C11—C10B −26.0 (5) Ni1—N2—C10B—C11 −45.2 (8)
C10B—N2—C9A—C8 141.6 (9) N3—C11—C10B—N2 45.7 (8)
C10A—N2—C9A—C8 −164.64 (17) C10A—C11—C10B—N2 −53.3 (5)
C9B—N2—C9A—C8 52.5 (5)