Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806017442/rn6084sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806017442/rn6084Isup2.hkl |
CCDC reference: 610872
Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 1999); software used to prepare material for publication: SHELXTL.
[Cd(C8H4O4)(C18H10N4)] | F(000) = 2224 |
Mr = 558.82 | Dx = 1.800 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 69 reflections |
a = 15.467 (4) Å | θ = 2.2–19.8° |
b = 14.971 (4) Å | µ = 1.11 mm−1 |
c = 18.847 (4) Å | T = 293 K |
β = 109.064 (5)° | Block, dark brown |
V = 4124.9 (18) Å3 | 0.43 × 0.40 × 0.28 mm |
Z = 8 |
Bruker APEX CCD diffractometer | 4062 independent reflections |
Radiation source: fine-focus sealed tube | 3407 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.024 |
ω and φ scans | θmax = 26.0°, θmin = 2.0° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −17→19 |
Tmin = 0.628, Tmax = 0.734 | k = −15→18 |
11009 measured reflections | l = −20→23 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.030 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.075 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0391P)2 + 2.2127P] where P = (Fo2 + 2Fc2)/3 |
4062 reflections | (Δ/σ)max = 0.001 |
316 parameters | Δρmax = 0.52 e Å−3 |
0 restraints | Δρmin = −0.26 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
C1 | 0.2559 (2) | 0.63410 (19) | 0.50384 (17) | 0.0410 (7) | |
H1 | 0.2835 | 0.6756 | 0.5411 | 0.049* | |
C2 | 0.2878 (2) | 0.6233 (2) | 0.44349 (17) | 0.0469 (7) | |
H2 | 0.3368 | 0.6574 | 0.4404 | 0.056* | |
C3 | 0.24648 (19) | 0.56174 (19) | 0.38802 (15) | 0.0394 (6) | |
H3 | 0.2671 | 0.5553 | 0.3472 | 0.047* | |
C4 | 0.17432 (18) | 0.50944 (18) | 0.39281 (14) | 0.0338 (6) | |
C5 | 0.14332 (18) | 0.52000 (18) | 0.45402 (14) | 0.0348 (6) | |
H5 | 0.0958 | 0.4845 | 0.4581 | 0.042* | |
C6 | 0.18311 (18) | 0.58317 (18) | 0.50881 (14) | 0.0340 (6) | |
C7 | 0.14512 (18) | 0.6021 (2) | 0.57134 (15) | 0.0368 (6) | |
C8 | 0.12809 (19) | 0.44587 (19) | 0.33081 (15) | 0.0388 (6) | |
C9 | 0.1929 (2) | 0.2200 (2) | 0.31890 (17) | 0.0509 (8) | |
H9 | 0.2156 | 0.2743 | 0.3413 | 0.061* | |
C10 | 0.2276 (2) | 0.1421 (2) | 0.35747 (19) | 0.0552 (9) | |
H10 | 0.2723 | 0.1442 | 0.4045 | 0.066* | |
C11 | 0.1945 (2) | 0.0621 (2) | 0.32496 (17) | 0.0499 (8) | |
H11 | 0.2168 | 0.0089 | 0.3496 | 0.060* | |
C12 | 0.12694 (18) | 0.0610 (2) | 0.25425 (15) | 0.0377 (6) | |
C13 | 0.09076 (19) | −0.02277 (19) | 0.21691 (16) | 0.0393 (6) | |
C14 | 0.02456 (19) | −0.02138 (19) | 0.14408 (16) | 0.0401 (7) | |
C15 | −0.00986 (19) | 0.06475 (19) | 0.10857 (15) | 0.0388 (6) | |
C16 | −0.0776 (2) | 0.0706 (2) | 0.03883 (17) | 0.0498 (8) | |
H16 | −0.1021 | 0.0190 | 0.0124 | 0.060* | |
C17 | −0.1079 (2) | 0.1529 (2) | 0.00926 (19) | 0.0555 (9) | |
H17 | −0.1539 | 0.1578 | −0.0370 | 0.067* | |
C18 | −0.0690 (2) | 0.2289 (2) | 0.04938 (17) | 0.0505 (8) | |
H18 | −0.0897 | 0.2845 | 0.0289 | 0.061* | |
C19 | 0.02554 (19) | 0.14464 (18) | 0.14523 (15) | 0.0351 (6) | |
C20 | 0.09649 (18) | 0.14265 (18) | 0.21946 (15) | 0.0348 (6) | |
C21 | 0.0910 (2) | −0.1732 (2) | 0.21590 (19) | 0.0468 (7) | |
C22 | 0.1236 (2) | −0.2576 (2) | 0.2507 (2) | 0.0574 (9) | |
H22 | 0.1642 | −0.2591 | 0.2996 | 0.069* | |
C23 | 0.0958 (3) | −0.3350 (2) | 0.2128 (3) | 0.0677 (11) | |
H23 | 0.1184 | −0.3891 | 0.2357 | 0.081* | |
C24 | 0.0321 (3) | −0.3346 (2) | 0.1384 (3) | 0.0678 (11) | |
H24 | 0.0146 | −0.3881 | 0.1126 | 0.081* | |
C25 | −0.0029 (2) | −0.2561 (2) | 0.1052 (2) | 0.0607 (9) | |
H25 | −0.0460 | −0.2569 | 0.0573 | 0.073* | |
C26 | 0.0246 (2) | −0.1733 (2) | 0.14156 (19) | 0.0474 (7) | |
N4 | 0.12244 (17) | −0.09854 (18) | 0.25286 (14) | 0.0470 (6) | |
N3 | −0.00852 (17) | −0.09627 (17) | 0.10691 (14) | 0.0479 (6) | |
N2 | −0.00352 (16) | 0.22555 (16) | 0.11577 (13) | 0.0399 (5) | |
N1 | 0.12926 (16) | 0.22126 (16) | 0.25181 (12) | 0.0389 (5) | |
O4 | 0.06776 (15) | 0.39469 (16) | 0.33827 (12) | 0.0570 (6) | |
O3 | 0.15491 (15) | 0.44495 (15) | 0.27447 (11) | 0.0536 (6) | |
O2 | 0.17604 (16) | 0.66786 (15) | 0.61290 (12) | 0.0569 (6) | |
O1 | 0.08455 (16) | 0.55305 (16) | 0.58053 (12) | 0.0613 (6) | |
Cd | 0.078293 (14) | 0.353762 (13) | 0.181971 (11) | 0.03747 (9) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.0422 (15) | 0.0409 (17) | 0.0395 (16) | −0.0041 (12) | 0.0126 (13) | −0.0058 (12) |
C2 | 0.0470 (17) | 0.0504 (19) | 0.0502 (19) | −0.0112 (14) | 0.0252 (15) | −0.0044 (15) |
C3 | 0.0454 (16) | 0.0425 (17) | 0.0371 (15) | −0.0035 (13) | 0.0229 (13) | −0.0024 (13) |
C4 | 0.0424 (15) | 0.0295 (14) | 0.0329 (14) | 0.0020 (11) | 0.0168 (12) | 0.0018 (11) |
C5 | 0.0397 (14) | 0.0322 (15) | 0.0352 (15) | 0.0014 (12) | 0.0161 (12) | 0.0038 (11) |
C6 | 0.0390 (14) | 0.0343 (15) | 0.0294 (14) | 0.0032 (11) | 0.0120 (12) | 0.0025 (11) |
C7 | 0.0384 (15) | 0.0430 (17) | 0.0285 (14) | 0.0087 (13) | 0.0102 (12) | 0.0042 (12) |
C8 | 0.0475 (16) | 0.0331 (15) | 0.0388 (16) | −0.0004 (13) | 0.0184 (13) | −0.0018 (12) |
C9 | 0.0569 (19) | 0.051 (2) | 0.0425 (18) | 0.0000 (16) | 0.0129 (15) | −0.0056 (15) |
C10 | 0.0521 (19) | 0.062 (2) | 0.0432 (18) | 0.0049 (16) | 0.0043 (15) | 0.0015 (16) |
C11 | 0.0503 (18) | 0.0483 (19) | 0.0466 (18) | 0.0082 (15) | 0.0097 (15) | 0.0101 (15) |
C12 | 0.0402 (15) | 0.0383 (16) | 0.0388 (15) | 0.0035 (12) | 0.0184 (13) | 0.0037 (12) |
C13 | 0.0409 (15) | 0.0369 (16) | 0.0460 (17) | 0.0065 (12) | 0.0225 (13) | 0.0089 (13) |
C14 | 0.0481 (16) | 0.0341 (16) | 0.0445 (16) | −0.0008 (13) | 0.0238 (14) | −0.0029 (13) |
C15 | 0.0477 (16) | 0.0363 (16) | 0.0364 (15) | 0.0006 (13) | 0.0193 (13) | −0.0012 (12) |
C16 | 0.0589 (19) | 0.0463 (19) | 0.0401 (17) | −0.0029 (15) | 0.0105 (15) | −0.0068 (14) |
C17 | 0.061 (2) | 0.059 (2) | 0.0387 (18) | 0.0059 (16) | 0.0046 (15) | 0.0009 (15) |
C18 | 0.0594 (19) | 0.0464 (19) | 0.0416 (17) | 0.0114 (15) | 0.0111 (15) | 0.0073 (14) |
C19 | 0.0398 (15) | 0.0368 (16) | 0.0336 (15) | 0.0041 (12) | 0.0185 (12) | 0.0001 (12) |
C20 | 0.0373 (14) | 0.0397 (16) | 0.0333 (15) | 0.0044 (12) | 0.0197 (12) | 0.0012 (12) |
C21 | 0.0479 (17) | 0.0449 (19) | 0.0542 (19) | 0.0038 (14) | 0.0256 (15) | 0.0047 (15) |
C22 | 0.062 (2) | 0.042 (2) | 0.069 (2) | 0.0019 (16) | 0.0221 (18) | 0.0117 (16) |
C23 | 0.066 (2) | 0.042 (2) | 0.099 (3) | 0.0033 (16) | 0.032 (2) | 0.014 (2) |
C24 | 0.067 (2) | 0.039 (2) | 0.097 (3) | −0.0078 (16) | 0.026 (2) | −0.0034 (19) |
C25 | 0.062 (2) | 0.043 (2) | 0.075 (2) | −0.0068 (16) | 0.0200 (18) | −0.0063 (17) |
C26 | 0.0498 (18) | 0.0398 (18) | 0.058 (2) | −0.0037 (14) | 0.0248 (16) | −0.0015 (15) |
N4 | 0.0496 (15) | 0.0424 (16) | 0.0509 (16) | 0.0034 (12) | 0.0191 (12) | 0.0057 (12) |
N3 | 0.0529 (15) | 0.0420 (16) | 0.0491 (15) | 0.0044 (12) | 0.0173 (12) | −0.0021 (12) |
N2 | 0.0467 (13) | 0.0367 (14) | 0.0368 (13) | 0.0069 (11) | 0.0145 (11) | 0.0030 (10) |
N1 | 0.0453 (13) | 0.0383 (14) | 0.0341 (13) | 0.0007 (11) | 0.0141 (11) | −0.0042 (10) |
O4 | 0.0619 (13) | 0.0552 (14) | 0.0607 (14) | −0.0232 (12) | 0.0294 (12) | −0.0162 (11) |
O3 | 0.0795 (15) | 0.0501 (13) | 0.0407 (12) | −0.0175 (11) | 0.0325 (11) | −0.0130 (10) |
O2 | 0.0713 (15) | 0.0620 (16) | 0.0472 (13) | −0.0182 (12) | 0.0329 (12) | −0.0191 (11) |
O1 | 0.0737 (15) | 0.0707 (16) | 0.0566 (14) | −0.0273 (13) | 0.0448 (12) | −0.0207 (12) |
Cd | 0.05205 (15) | 0.03317 (13) | 0.03240 (13) | 0.00220 (9) | 0.02091 (10) | −0.00088 (8) |
C1—C6 | 1.388 (4) | C16—C17 | 1.370 (4) |
C1—C2 | 1.389 (4) | C16—H16 | 0.9300 |
C1—H1 | 0.9300 | C17—C18 | 1.389 (4) |
C2—C3 | 1.384 (4) | C17—H17 | 0.9300 |
C2—H2 | 0.9300 | C18—N2 | 1.329 (4) |
C3—C4 | 1.390 (4) | C18—H18 | 0.9300 |
C3—H3 | 0.9300 | C19—N2 | 1.347 (3) |
C4—C5 | 1.395 (4) | C19—C20 | 1.470 (4) |
C4—C8 | 1.496 (4) | C20—N1 | 1.346 (3) |
C5—C6 | 1.387 (4) | C21—N4 | 1.323 (4) |
C5—H5 | 0.9300 | C21—C22 | 1.438 (4) |
C6—C7 | 1.506 (4) | C21—C26 | 1.442 (5) |
C7—O1 | 1.246 (3) | C22—C23 | 1.356 (5) |
C7—O2 | 1.251 (3) | C22—H22 | 0.9300 |
C7—Cdi | 2.695 (3) | C23—C24 | 1.427 (6) |
C8—O4 | 1.250 (3) | C23—H23 | 0.9300 |
C8—O3 | 1.260 (3) | C24—C25 | 1.358 (5) |
C9—N1 | 1.325 (4) | C24—H24 | 0.9300 |
C9—C10 | 1.386 (4) | C25—C26 | 1.413 (4) |
C9—H9 | 0.9300 | C25—H25 | 0.9300 |
C10—C11 | 1.366 (5) | C26—N3 | 1.342 (4) |
C10—H10 | 0.9300 | N2—Cd | 2.411 (2) |
C11—C12 | 1.400 (4) | N1—Cd | 2.369 (2) |
C11—H11 | 0.9300 | O4—Cdii | 2.250 (2) |
C12—C20 | 1.395 (4) | O3—Cd | 2.227 (2) |
C12—C13 | 1.457 (4) | O2—Cdi | 2.318 (2) |
C13—N4 | 1.330 (4) | O1—Cdi | 2.394 (2) |
C13—C14 | 1.419 (4) | Cd—O4ii | 2.250 (2) |
C14—N3 | 1.332 (4) | Cd—O2iii | 2.318 (2) |
C14—C15 | 1.470 (4) | Cd—O1iii | 2.394 (2) |
C15—C16 | 1.390 (4) | Cd—C7iii | 2.695 (3) |
C15—C19 | 1.400 (4) | ||
C6—C1—C2 | 120.3 (3) | N2—C19—C15 | 122.7 (3) |
C6—C1—H1 | 119.8 | N2—C19—C20 | 117.1 (2) |
C2—C1—H1 | 119.8 | C15—C19—C20 | 120.2 (2) |
C3—C2—C1 | 119.7 (3) | N1—C20—C12 | 122.3 (3) |
C3—C2—H2 | 120.2 | N1—C20—C19 | 117.8 (2) |
C1—C2—H2 | 120.2 | C12—C20—C19 | 119.9 (2) |
C2—C3—C4 | 120.6 (3) | N4—C21—C22 | 119.2 (3) |
C2—C3—H3 | 119.7 | N4—C21—C26 | 122.4 (3) |
C4—C3—H3 | 119.7 | C22—C21—C26 | 118.4 (3) |
C3—C4—C5 | 119.3 (2) | C23—C22—C21 | 120.5 (3) |
C3—C4—C8 | 119.8 (2) | C23—C22—H22 | 119.8 |
C5—C4—C8 | 120.8 (2) | C21—C22—H22 | 119.8 |
C6—C5—C4 | 120.3 (3) | C22—C23—C24 | 120.8 (3) |
C6—C5—H5 | 119.9 | C22—C23—H23 | 119.6 |
C4—C5—H5 | 119.9 | C24—C23—H23 | 119.6 |
C5—C6—C1 | 119.8 (2) | C25—C24—C23 | 120.1 (3) |
C5—C6—C7 | 121.3 (2) | C25—C24—H24 | 120.0 |
C1—C6—C7 | 118.8 (3) | C23—C24—H24 | 120.0 |
O1—C7—O2 | 121.8 (3) | C24—C25—C26 | 121.6 (4) |
O1—C7—C6 | 120.1 (3) | C24—C25—H25 | 119.2 |
O2—C7—C6 | 118.1 (3) | C26—C25—H25 | 119.2 |
O1—C7—Cdi | 62.68 (14) | N3—C26—C25 | 120.7 (3) |
O2—C7—Cdi | 59.18 (15) | N3—C26—C21 | 120.6 (3) |
C6—C7—Cdi | 176.7 (2) | C25—C26—C21 | 118.6 (3) |
O4—C8—O3 | 123.5 (3) | C21—N4—C13 | 116.2 (3) |
O4—C8—C4 | 119.1 (2) | C14—N3—C26 | 116.6 (3) |
O3—C8—C4 | 117.4 (2) | C18—N2—C19 | 118.1 (3) |
N1—C9—C10 | 123.5 (3) | C18—N2—Cd | 124.6 (2) |
N1—C9—H9 | 118.3 | C19—N2—Cd | 117.04 (18) |
C10—C9—H9 | 118.3 | C9—N1—C20 | 118.2 (3) |
C11—C10—C9 | 118.6 (3) | C9—N1—Cd | 123.4 (2) |
C11—C10—H10 | 120.7 | C20—N1—Cd | 118.21 (18) |
C9—C10—H10 | 120.7 | C8—O4—Cdii | 153.2 (2) |
C10—C11—C12 | 119.4 (3) | C8—O3—Cd | 115.40 (18) |
C10—C11—H11 | 120.3 | C7—O2—Cdi | 93.20 (17) |
C12—C11—H11 | 120.3 | C7—O1—Cdi | 89.76 (17) |
C20—C12—C11 | 118.0 (3) | O3—Cd—O4ii | 102.35 (9) |
C20—C12—C13 | 120.7 (3) | O3—Cd—O2iii | 104.32 (8) |
C11—C12—C13 | 121.3 (3) | O4ii—Cd—O2iii | 138.24 (8) |
N4—C13—C14 | 122.3 (3) | O3—Cd—N1 | 94.76 (8) |
N4—C13—C12 | 117.9 (3) | O4ii—Cd—N1 | 117.12 (8) |
C14—C13—C12 | 119.8 (2) | O2iii—Cd—N1 | 92.03 (8) |
N3—C14—C13 | 121.9 (3) | O3—Cd—O1iii | 96.77 (8) |
N3—C14—C15 | 118.6 (3) | O4ii—Cd—O1iii | 90.35 (8) |
C13—C14—C15 | 119.5 (2) | O2iii—Cd—O1iii | 55.17 (7) |
C16—C15—C19 | 117.7 (3) | N1—Cd—O1iii | 147.01 (7) |
C16—C15—C14 | 122.3 (3) | O3—Cd—N2 | 161.55 (8) |
C19—C15—C14 | 120.0 (3) | O4ii—Cd—N2 | 78.51 (8) |
C17—C16—C15 | 119.6 (3) | O2iii—Cd—N2 | 85.79 (8) |
C17—C16—H16 | 120.2 | N1—Cd—N2 | 69.14 (8) |
C15—C16—H16 | 120.2 | O1iii—Cd—N2 | 101.66 (8) |
C16—C17—C18 | 119.0 (3) | O3—Cd—C7iii | 102.42 (8) |
C16—C17—H17 | 120.5 | O4ii—Cd—C7iii | 114.82 (8) |
C18—C17—H17 | 120.5 | O2iii—Cd—C7iii | 27.63 (8) |
N2—C18—C17 | 122.9 (3) | N1—Cd—C7iii | 119.54 (8) |
N2—C18—H18 | 118.5 | O1iii—Cd—C7iii | 27.55 (8) |
C17—C18—H18 | 118.5 | N2—Cd—C7iii | 93.66 (8) |
C6—C1—C2—C3 | 0.2 (5) | C22—C21—C26—C25 | −2.3 (5) |
C1—C2—C3—C4 | −1.1 (5) | C22—C21—N4—C13 | 178.8 (3) |
C2—C3—C4—C5 | 0.4 (4) | C26—C21—N4—C13 | −1.4 (4) |
C2—C3—C4—C8 | 177.6 (3) | C14—C13—N4—C21 | 2.2 (4) |
C3—C4—C5—C6 | 1.1 (4) | C12—C13—N4—C21 | −177.1 (2) |
C8—C4—C5—C6 | −176.0 (2) | C13—C14—N3—C26 | −0.6 (4) |
C4—C5—C6—C1 | −2.0 (4) | C15—C14—N3—C26 | −179.8 (3) |
C4—C5—C6—C7 | 174.0 (2) | C25—C26—N3—C14 | −176.8 (3) |
C2—C1—C6—C5 | 1.3 (4) | C21—C26—N3—C14 | 1.3 (4) |
C2—C1—C6—C7 | −174.8 (3) | C17—C18—N2—C19 | −0.5 (5) |
C5—C6—C7—O1 | 9.5 (4) | C17—C18—N2—Cd | 173.0 (3) |
C1—C6—C7—O1 | −174.5 (3) | C15—C19—N2—C18 | 0.5 (4) |
C5—C6—C7—O2 | −170.4 (3) | C20—C19—N2—C18 | −178.6 (2) |
C1—C6—C7—O2 | 5.6 (4) | C15—C19—N2—Cd | −173.4 (2) |
C3—C4—C8—O4 | 174.9 (3) | C20—C19—N2—Cd | 7.5 (3) |
C5—C4—C8—O4 | −8.0 (4) | C10—C9—N1—C20 | 0.0 (4) |
C3—C4—C8—O3 | −2.7 (4) | C10—C9—N1—Cd | −175.2 (2) |
C5—C4—C8—O3 | 174.4 (3) | C12—C20—N1—C9 | 0.3 (4) |
N1—C9—C10—C11 | −0.1 (5) | C19—C20—N1—C9 | 179.7 (2) |
C9—C10—C11—C12 | −0.2 (5) | C12—C20—N1—Cd | 175.75 (19) |
C10—C11—C12—C20 | 0.5 (4) | C19—C20—N1—Cd | −4.9 (3) |
C10—C11—C12—C13 | 179.0 (3) | O3—C8—O4—Cdii | −82.5 (5) |
C20—C12—C13—N4 | 180.0 (3) | C4—C8—O4—Cdii | 100.1 (4) |
C11—C12—C13—N4 | 1.5 (4) | O4—C8—O3—Cd | 5.5 (4) |
C20—C12—C13—C14 | 0.7 (4) | C4—C8—O3—Cd | −177.01 (18) |
C11—C12—C13—C14 | −177.8 (3) | O1—C7—O2—Cdi | −2.1 (3) |
N4—C13—C14—N3 | −1.2 (4) | C6—C7—O2—Cdi | 177.8 (2) |
C12—C13—C14—N3 | 178.1 (3) | O2—C7—O1—Cdi | 2.1 (3) |
N4—C13—C14—C15 | 177.9 (3) | C6—C7—O1—Cdi | −177.9 (2) |
C12—C13—C14—C15 | −2.8 (4) | C8—O3—Cd—O4ii | 52.2 (2) |
N3—C14—C15—C16 | 2.1 (4) | C8—O3—Cd—O2iii | −160.2 (2) |
C13—C14—C15—C16 | −177.1 (3) | C8—O3—Cd—N1 | −66.9 (2) |
N3—C14—C15—C19 | −178.1 (3) | C8—O3—Cd—O1iii | 144.1 (2) |
C13—C14—C15—C19 | 2.7 (4) | C8—O3—Cd—N2 | −38.5 (4) |
C19—C15—C16—C17 | −1.0 (4) | C8—O3—Cd—C7iii | 171.4 (2) |
C14—C15—C16—C17 | 178.9 (3) | C9—N1—Cd—O3 | −7.9 (2) |
C15—C16—C17—C18 | 1.1 (5) | C20—N1—Cd—O3 | 176.90 (19) |
C16—C17—C18—N2 | −0.3 (5) | C9—N1—Cd—O4ii | −114.4 (2) |
C16—C15—C19—N2 | 0.2 (4) | C20—N1—Cd—O4ii | 70.4 (2) |
C14—C15—C19—N2 | −179.6 (2) | C9—N1—Cd—O2iii | 96.7 (2) |
C16—C15—C19—C20 | 179.3 (3) | C20—N1—Cd—O2iii | −78.5 (2) |
C14—C15—C19—C20 | −0.5 (4) | C9—N1—Cd—O1iii | 102.3 (2) |
C11—C12—C20—N1 | −0.6 (4) | C20—N1—Cd—O1iii | −72.9 (3) |
C13—C12—C20—N1 | −179.1 (2) | C9—N1—Cd—N2 | −178.6 (2) |
C11—C12—C20—C19 | −179.9 (2) | C20—N1—Cd—N2 | 6.17 (18) |
C13—C12—C20—C19 | 1.5 (4) | C9—N1—Cd—C7iii | 99.3 (2) |
N2—C19—C20—N1 | −1.9 (4) | C20—N1—Cd—C7iii | −75.9 (2) |
C15—C19—C20—N1 | 179.0 (2) | C18—N2—Cd—O3 | 148.9 (3) |
N2—C19—C20—C12 | 177.5 (2) | C19—N2—Cd—O3 | −37.6 (4) |
C15—C19—C20—C12 | −1.6 (4) | C18—N2—Cd—O4ii | 54.3 (2) |
N4—C21—C22—C23 | −177.0 (3) | C19—N2—Cd—O4ii | −132.2 (2) |
C26—C21—C22—C23 | 3.2 (5) | C18—N2—Cd—O2iii | −86.8 (2) |
C21—C22—C23—C24 | −1.3 (6) | C19—N2—Cd—O2iii | 86.65 (19) |
C22—C23—C24—C25 | −1.5 (7) | C18—N2—Cd—N1 | 179.4 (2) |
C23—C24—C25—C26 | 2.3 (6) | C19—N2—Cd—N1 | −7.13 (18) |
C24—C25—C26—N3 | 177.8 (3) | C18—N2—Cd—O1iii | −33.7 (2) |
C24—C25—C26—C21 | −0.4 (5) | C19—N2—Cd—O1iii | 139.79 (19) |
N4—C21—C26—N3 | −0.4 (5) | C18—N2—Cd—C7iii | −60.3 (2) |
C22—C21—C26—N3 | 179.5 (3) | C19—N2—Cd—C7iii | 113.2 (2) |
N4—C21—C26—C25 | 177.8 (3) |
Symmetry codes: (i) x, −y+1, z+1/2; (ii) −x, y, −z+1/2; (iii) x, −y+1, z−1/2. |