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. 2018 Jan 12;74(Pt 2):158–162. doi: 10.1107/S2056989018000488
S1—C2 1.754 (3) C20—C21 1.373 (4)
S1—C8 1.736 (3) C20—C22 1.458 (4)
Cu1—O31i 2.508 (2) C21—H211 0.937
Cu1—N19 2.004 (2) C22—C23 1.388 (4)
Cu1—N27 2.054 (2) C22—N27 1.355 (3)
Cu1—Cl1 2.2344 (7) C23—C24 1.386 (4)
Cu1—Cl2 2.2380 (7) C23—H231 0.943
C2—N3 1.300 (3) C24—C25 1.390 (4)
C2—C10 1.468 (4) C24—H241 0.946
N3—C9 1.387 (4) C25—C26 1.377 (4)
C4—C5 1.375 (4) C25—H251 0.943
C4—C9 1.403 (4) C26—N27 1.339 (3)
C4—H41 0.947 C26—H261 0.944
C5—C6 1.402 (4) N28—C29 1.474 (4)
C5—H51 0.959 N28—C30 1.356 (4)
C6—C7 1.393 (4) C29—H291 0.949
C6—C16 1.516 (4) C29—H292 0.964
C7—C8 1.385 (4) C29—H293 0.973
C7—H71 0.961 C30—O31 1.214 (3)
C8—C9 1.403 (4) C30—O32 1.338 (3)
C10—C11 1.392 (4) O32—C33 1.476 (3)
C10—C15 1.401 (4) C33—C34 1.503 (4)
C11—C12 1.386 (4) C33—C35 1.518 (5)
C11—H111 0.959 C33—C36 1.526 (5)
C12—C13 1.395 (4) C34—H341 0.974
C12—H121 0.948 C34—H342 0.963
C13—C14 1.390 (4) C34—H343 0.962
C13—N28 1.431 (4) C35—H351 0.952
C14—C15 1.389 (4) C35—H352 0.969
C14—H141 0.948 C35—H353 0.972
C15—H151 0.948 C36—H361 0.960
C16—N17 1.473 (3) C36—H362 0.961
C16—H161 0.973 C36—H363 0.972
C16—H162 0.971 C37—C38 1.422 (6)
N17—N18 1.336 (3) C37—H371 0.970
N17—C21 1.352 (3) C37—H372 0.957
N18—N19 1.315 (3) C37—H373 0.977
N19—C20 1.362 (3) C38—N39 1.131 (6)
C2—S1—C8 89.01 (13) C20—C21—N17 103.8 (2)
O31i—Cu1—Cl1 107.68 (6) C20—C21—H211 130.3
O31i—Cu1—Cl2 100.13 (5) N17—C21—H211 125.8
Cl1—Cu1—Cl2 93.31 (3) C20—C22—C23 124.4 (2)
O31i—Cu1—N19 80.21 (8) C20—C22—N27 113.2 (2)
Cl1—Cu1—N19 168.01 (7) C23—C22—N27 122.4 (2)
Cl2—Cu1—N19 94.14 (6) C22—C23—C24 118.6 (2)
O31i—Cu1—N27 83.26 (8) C22—C23—H231 119.9
Cl1—Cu1—N27 91.79 (6) C24—C23—H231 121.5
Cl2—Cu1—N27 172.70 (6) C23—C24—C25 119.0 (2)
N19—Cu1—N27 80.00 (8) C23—C24—H241 121.6
S1—C2—N3 115.9 (2) C25—C24—H241 119.5
S1—C2—C10 119.49 (19) C24—C25—C26 118.9 (2)
N3—C2—C10 124.6 (2) C24—C25—H251 121.0
C2—N3—C9 110.5 (2) C26—C25—H251 120.0
C5—C4—C9 118.8 (3) C25—C26—N27 123.0 (2)
C5—C4—H41 120.6 C25—C26—H261 119.4
C9—C4—H41 120.6 N27—C26—H261 117.6
C4—C5—C6 121.8 (3) C22—N27—C26 118.0 (2)
C4—C5—H51 119.6 C22—N27—Cu1 115.25 (17)
C6—C5—H51 118.6 C26—N27—Cu1 126.77 (18)
C5—C6—C7 120.1 (2) C13—N28—C29 118.9 (2)
C5—C6—C16 120.9 (2) C13—N28—C30 122.9 (2)
C7—C6—C16 119.0 (2) C29—N28—C30 118.0 (2)
C6—C7—C8 118.0 (2) N28—C29—H291 110.7
C6—C7—H71 120.5 N28—C29—H292 111.1
C8—C7—H71 121.5 H291—C29—H292 108.1
S1—C8—C7 128.5 (2) N28—C29—H293 110.9
S1—C8—C9 109.2 (2) H291—C29—H293 109.6
C7—C8—C9 122.3 (2) H292—C29—H293 106.3
C8—C9—C4 119.0 (2) N28—C30—O31 123.7 (3)
C8—C9—N3 115.5 (2) N28—C30—O32 111.1 (2)
C4—C9—N3 125.5 (2) O31—C30—O32 125.3 (3)
C2—C10—C11 120.7 (2) Cu1ii—O31—C30 146.2 (2)
C2—C10—C15 120.1 (2) C30—O32—C33 121.0 (2)
C11—C10—C15 119.2 (2) O32—C33—C34 109.9 (3)
C10—C11—C12 120.6 (3) O32—C33—C35 110.4 (2)
C10—C11—H111 119.8 C34—C33—C35 112.3 (3)
C12—C11—H111 119.5 O32—C33—C36 101.8 (2)
C11—C12—C13 119.9 (3) C34—C33—C36 110.6 (3)
C11—C12—H121 120.5 C35—C33—C36 111.4 (3)
C13—C12—H121 119.7 C33—C34—H341 109.0
C12—C13—C14 119.8 (3) C33—C34—H342 109.2
C12—C13—N28 120.4 (2) H341—C34—H342 109.1
C14—C13—N28 119.7 (3) C33—C34—H343 110.2
C13—C14—C15 120.2 (3) H341—C34—H343 109.5
C13—C14—H141 119.7 H342—C34—H343 109.8
C15—C14—H141 120.1 C33—C35—H351 109.2
C10—C15—C14 120.1 (3) C33—C35—H352 110.3
C10—C15—H151 120.3 H351—C35—H352 107.5
C14—C15—H151 119.6 C33—C35—H353 112.0
C6—C16—N17 109.6 (2) H351—C35—H353 109.2
C6—C16—H161 110.1 H352—C35—H353 108.5
N17—C16—H161 108.3 C33—C36—H361 110.0
C6—C16—H162 109.9 C33—C36—H362 108.5
N17—C16—H162 108.7 H361—C36—H362 110.0
H161—C16—H162 110.3 C33—C36—H363 108.6
C16—N17—N18 119.7 (2) H361—C36—H363 110.1
C16—N17—C21 127.2 (2) H362—C36—H363 109.6
N18—N17—C21 112.7 (2) C38—C37—H371 108.2
N17—N18—N19 105.46 (19) C38—C37—H372 109.3
N18—N19—Cu1 134.95 (17) H371—C37—H372 110.9
N18—N19—C20 110.4 (2) C38—C37—H373 107.7
Cu1—N19—C20 114.51 (16) H371—C37—H373 109.9
N19—C20—C21 107.6 (2) H372—C37—H373 110.6
N19—C20—C22 116.9 (2) C37—C38—N39 176.6 (5)
C21—C20—C22 135.4 (2)