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) |