| Literature DB >> 21578559 |
Tonia L Stroud, Nathan L Coker, Jeanette A Krause.
Abstract
In the title compound, [Au(2)Ba(NCS)(4)(C(20)H(24)O(6))](n), the dithio--cyanato-aurate(I) anion adopts a dimeric structure with an Au⋯Au distance of 3.1109 (10) Å; both Au(I) atoms are also bonded to two S atoms. The Ba(II) ion adopts an irregular BaN(3)O(6) geometry, arising from the crown ether and three adjacent thio-cyanate N atoms; the extended structure of the complex can be described as a one-dimensional coordination polymer generated by the Ba⋯N inter-actions (two on the endo side and one on the exo side of the crown ether) running parallel to the b axis, with an anti-parallel arrangement of ribbons in the unit cell.Entities:
Year: 2009 PMID: 21578559 PMCID: PMC2971920 DOI: 10.1107/S1600536809045218
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Au2Ba(NCS)4(C20H24O6)] | |
| Monoclinic, | Cu |
| Hall symbol: -P 2ybc | Cell parameters from 4482 reflections |
| θ = 4.4–56.9° | |
| µ = 28.76 mm−1 | |
| β = 110.598 (2)° | Plate, pale pink |
| 0.14 × 0.08 × 0.01 mm | |
| Bruker SMART6000 CCD diffractometer | 4110 independent reflections |
| Radiation source: fine-focus sealed tube | 2905 reflections with |
| graphite | |
| Detector resolution: 0.92 pixels mm-1 | θmax = 56.9°, θmin = 2.7° |
| ω scans | |
| Absorption correction: multi-scan ( | |
| 14223 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 4110 reflections | (Δ/σ)max < 0.001 |
| 358 parameters | Δρmax = 1.66 e Å−3 |
| 0 restraints | Δρmin = −0.85 e Å−3 |
| Experimental. A suitable crystal was mounted in a Cryo-loop with paratone-N and immediately
tranferred to the goniostat bathed in a cold stream.The final unit cell is obtained from the refinement of the XYZ weighted
centroids of reflections above 20 σ(I). Note that the absorption correction
parameters Tmin and Tmax also reflect beam corrections, |
| 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 |
| Au1 | 0.34634 (4) | 0.40337 (5) | 0.26591 (4) | 0.0408 (2) | |
| Au2 | 0.17476 (4) | 0.43183 (5) | 0.27917 (5) | 0.0453 (3) | |
| S1 | 0.4056 (2) | 0.5186 (3) | 0.3851 (2) | 0.0433 (11) | |
| S2 | 0.3048 (3) | 0.2863 (3) | 0.1460 (3) | 0.0584 (13) | |
| S3 | 0.1241 (3) | 0.5265 (4) | 0.1450 (3) | 0.0635 (14) | |
| S4 | 0.2067 (3) | 0.3454 (3) | 0.4158 (3) | 0.0490 (11) | |
| C1 | 0.3550 (10) | 0.6284 (13) | 0.3434 (10) | 0.041 (4) | |
| C2 | 0.2600 (10) | 0.1899 (13) | 0.1840 (11) | 0.047 (4) | |
| C3 | 0.1250 (9) | 0.6475 (14) | 0.1921 (11) | 0.047 (4) | |
| C4 | 0.2867 (11) | 0.2679 (14) | 0.4179 (11) | 0.048 (5) | |
| N1 | 0.3197 (8) | 0.7081 (11) | 0.3177 (9) | 0.051 (4) | |
| N2 | 0.2288 (8) | 0.1179 (10) | 0.2044 (9) | 0.047 (4) | |
| N3 | 0.1230 (9) | 0.7317 (11) | 0.2215 (10) | 0.060 (4) | |
| N4 | 0.3382 (9) | 0.2131 (12) | 0.4199 (10) | 0.058 (4) | |
| Ba | 0.23237 (6) | 0.89893 (6) | 0.25677 (6) | 0.0322 (3) | |
| O5 | 0.1978 (8) | 0.9218 (9) | 0.0567 (7) | 0.066 (4) | |
| O7 | 0.3582 (6) | 0.9286 (7) | 0.1843 (6) | 0.036 (2) | |
| O9 | 0.3953 (7) | 0.9610 (9) | 0.3779 (7) | 0.064 (3) | |
| O15 | 0.2715 (8) | 0.9925 (10) | 0.4392 (8) | 0.065 (3) | |
| O17 | 0.1095 (6) | 0.9937 (7) | 0.3111 (6) | 0.039 (3) | |
| O19 | 0.0748 (7) | 0.9545 (9) | 0.1208 (7) | 0.064 (3) | |
| C5 | 0.1207 (10) | 0.8637 (12) | 0.0123 (9) | 0.037 (3) | |
| C6 | 0.2689 (9) | 0.8954 (11) | 0.0301 (9) | 0.036 (3) | |
| H6A | 0.2800 | 0.8184 | 0.0371 | 0.043* | |
| H6B | 0.2573 | 0.9146 | −0.0346 | 0.043* | |
| C7 | 0.3402 (9) | 0.9553 (11) | 0.0894 (8) | 0.036 (3) | |
| H7B | 0.3880 | 0.9389 | 0.0721 | 0.043* | |
| H7A | 0.3292 | 1.0322 | 0.0806 | 0.043* | |
| C8 | 0.4339 (9) | 0.9751 (12) | 0.2431 (9) | 0.041 (4) | |
| H8A | 0.4274 | 1.0527 | 0.2464 | 0.049* | |
| H8B | 0.4773 | 0.9614 | 0.2177 | 0.049* | |
| C9 | 0.4576 (9) | 0.9277 (12) | 0.3375 (9) | 0.040 (4) | |
| H9A | 0.4594 | 0.8495 | 0.3339 | 0.048* | |
| H9B | 0.5122 | 0.9532 | 0.3761 | 0.048* | |
| C10 | 0.4040 (10) | 0.9142 (11) | 0.4657 (9) | 0.038 (4) | |
| C11 | 0.4680 (10) | 0.8473 (11) | 0.5139 (10) | 0.040 (4) | |
| H11 | 0.5101 | 0.8316 | 0.4908 | 0.048* | |
| C12 | 0.4694 (11) | 0.8042 (12) | 0.5956 (10) | 0.047 (4) | |
| H12 | 0.5129 | 0.7589 | 0.6291 | 0.057* | |
| C13 | 0.4087 (11) | 0.8263 (12) | 0.6286 (11) | 0.044 (4) | |
| H13 | 0.4112 | 0.7978 | 0.6857 | 0.053* | |
| C14 | 0.3448 (10) | 0.8886 (11) | 0.5806 (10) | 0.040 (4) | |
| H14 | 0.3029 | 0.9013 | 0.6046 | 0.049* | |
| C15 | 0.3385 (11) | 0.9342 (11) | 0.4980 (10) | 0.037 (4) | |
| C16 | 0.2001 (10) | 1.0007 (13) | 0.4669 (11) | 0.050 (5) | |
| H16B | 0.2145 | 1.0419 | 0.5242 | 0.061* | |
| H16A | 0.1833 | 0.9289 | 0.4787 | 0.061* | |
| C17 | 0.1299 (11) | 1.0539 (13) | 0.3941 (12) | 0.056 (5) | |
| H17A | 0.0822 | 1.0578 | 0.4139 | 0.067* | |
| H17B | 0.1453 | 1.1270 | 0.3838 | 0.067* | |
| C18 | 0.0412 (10) | 1.0419 (12) | 0.2411 (10) | 0.048 (5) | |
| H18B | 0.0578 | 1.1098 | 0.2212 | 0.058* | |
| H18A | −0.0032 | 1.0562 | 0.2647 | 0.058* | |
| C19 | 0.0129 (9) | 0.9649 (13) | 0.1622 (10) | 0.042 (4) | |
| H19B | 0.0023 | 0.8948 | 0.1843 | 0.050* | |
| H19A | −0.0384 | 0.9906 | 0.1162 | 0.050* | |
| C20 | 0.0582 (10) | 0.8804 (11) | 0.0468 (9) | 0.037 (3) | |
| C21 | −0.0125 (10) | 0.8211 (12) | 0.0105 (10) | 0.045 (4) | |
| H21 | −0.0565 | 0.8328 | 0.0313 | 0.054* | |
| C22 | −0.0195 (10) | 0.7466 (12) | −0.0542 (11) | 0.054 (5) | |
| H22 | −0.0671 | 0.7039 | −0.0758 | 0.064* | |
| C23 | 0.0427 (12) | 0.7322 (13) | −0.0892 (11) | 0.051 (5) | |
| H23 | 0.0359 | 0.6824 | −0.1368 | 0.061* | |
| C24 | 0.1134 (10) | 0.7894 (12) | −0.0554 (10) | 0.040 (4) | |
| H24 | 0.1565 | 0.7784 | −0.0779 | 0.049* |
| Au1 | 0.0510 (5) | 0.0316 (4) | 0.0483 (4) | 0.0031 (3) | 0.0280 (4) | 0.0028 (3) |
| Au2 | 0.0490 (5) | 0.0377 (4) | 0.0535 (4) | 0.0027 (4) | 0.0235 (4) | 0.0008 (3) |
| S1 | 0.044 (3) | 0.043 (2) | 0.042 (2) | 0.010 (2) | 0.015 (2) | −0.0041 (19) |
| S2 | 0.099 (4) | 0.039 (2) | 0.053 (2) | −0.007 (2) | 0.046 (3) | −0.005 (2) |
| S3 | 0.079 (4) | 0.069 (3) | 0.049 (2) | 0.022 (3) | 0.030 (3) | 0.008 (2) |
| S4 | 0.063 (3) | 0.039 (2) | 0.054 (2) | 0.009 (2) | 0.033 (2) | 0.009 (2) |
| C1 | 0.037 (11) | 0.042 (9) | 0.048 (9) | −0.002 (9) | 0.021 (9) | −0.004 (8) |
| C2 | 0.045 (12) | 0.044 (10) | 0.056 (10) | 0.011 (9) | 0.022 (10) | −0.010 (9) |
| C3 | 0.031 (11) | 0.056 (11) | 0.056 (10) | −0.002 (9) | 0.018 (9) | 0.034 (10) |
| C4 | 0.059 (14) | 0.051 (11) | 0.048 (10) | −0.022 (10) | 0.035 (11) | −0.014 (9) |
| N1 | 0.040 (10) | 0.050 (9) | 0.059 (8) | 0.000 (8) | 0.012 (8) | −0.014 (7) |
| N2 | 0.060 (11) | 0.028 (7) | 0.053 (8) | −0.008 (7) | 0.018 (8) | −0.006 (6) |
| N3 | 0.065 (11) | 0.035 (8) | 0.079 (10) | −0.007 (8) | 0.024 (9) | 0.017 (8) |
| N4 | 0.064 (12) | 0.059 (10) | 0.064 (9) | 0.006 (9) | 0.037 (9) | 0.008 (8) |
| Ba | 0.0354 (6) | 0.0300 (5) | 0.0345 (5) | 0.0007 (4) | 0.0166 (4) | 0.0001 (4) |
| O5 | 0.074 (10) | 0.077 (9) | 0.045 (6) | −0.001 (7) | 0.021 (7) | −0.001 (6) |
| O7 | 0.030 (6) | 0.039 (6) | 0.041 (5) | −0.004 (5) | 0.013 (5) | −0.003 (5) |
| O9 | 0.073 (9) | 0.063 (8) | 0.064 (7) | −0.001 (7) | 0.033 (7) | 0.007 (6) |
| O15 | 0.057 (9) | 0.081 (9) | 0.065 (7) | 0.004 (7) | 0.031 (7) | −0.004 (7) |
| O17 | 0.050 (7) | 0.032 (5) | 0.046 (6) | 0.006 (5) | 0.029 (6) | −0.011 (5) |
| O19 | 0.069 (9) | 0.073 (8) | 0.060 (7) | 0.000 (7) | 0.035 (7) | −0.007 (7) |
| C5 | 0.039 (9) | 0.042 (6) | 0.028 (6) | 0.009 (6) | 0.010 (5) | 0.011 (5) |
| C6 | 0.040 (8) | 0.042 (6) | 0.036 (6) | 0.007 (5) | 0.028 (5) | 0.003 (5) |
| C7 | 0.040 (8) | 0.042 (6) | 0.036 (6) | 0.007 (5) | 0.028 (5) | 0.003 (5) |
| C8 | 0.047 (12) | 0.041 (9) | 0.046 (9) | −0.018 (8) | 0.030 (9) | −0.005 (8) |
| C9 | 0.023 (10) | 0.053 (10) | 0.047 (9) | −0.018 (8) | 0.018 (8) | −0.012 (8) |
| C10 | 0.041 (11) | 0.040 (9) | 0.032 (8) | −0.009 (8) | 0.011 (8) | −0.006 (8) |
| C11 | 0.039 (11) | 0.028 (8) | 0.048 (9) | −0.007 (8) | 0.008 (9) | −0.008 (8) |
| C12 | 0.049 (12) | 0.036 (9) | 0.043 (9) | 0.008 (8) | 0.000 (9) | 0.011 (8) |
| C13 | 0.044 (12) | 0.042 (10) | 0.043 (9) | −0.011 (9) | 0.010 (10) | 0.004 (8) |
| C14 | 0.044 (12) | 0.038 (9) | 0.044 (9) | −0.018 (9) | 0.020 (9) | −0.014 (8) |
| C15 | 0.048 (12) | 0.027 (8) | 0.043 (9) | −0.010 (8) | 0.025 (9) | −0.013 (7) |
| C16 | 0.063 (14) | 0.047 (10) | 0.058 (11) | −0.012 (10) | 0.043 (11) | −0.033 (9) |
| C17 | 0.051 (13) | 0.043 (10) | 0.094 (14) | −0.001 (9) | 0.050 (12) | −0.020 (10) |
| C18 | 0.055 (12) | 0.033 (9) | 0.053 (10) | 0.029 (8) | 0.014 (9) | 0.010 (8) |
| C19 | 0.036 (11) | 0.058 (10) | 0.043 (9) | 0.008 (8) | 0.028 (9) | 0.011 (8) |
| C20 | 0.039 (9) | 0.042 (6) | 0.028 (6) | 0.009 (6) | 0.010 (5) | 0.011 (5) |
| C21 | 0.030 (11) | 0.038 (9) | 0.052 (9) | −0.003 (8) | −0.003 (9) | 0.000 (8) |
| C22 | 0.023 (11) | 0.036 (10) | 0.075 (12) | −0.003 (8) | −0.016 (10) | 0.000 (9) |
| C23 | 0.050 (13) | 0.046 (10) | 0.048 (10) | 0.026 (10) | 0.006 (10) | 0.013 (9) |
| C24 | 0.028 (11) | 0.045 (9) | 0.046 (9) | 0.009 (8) | 0.010 (9) | −0.001 (8) |
| Au1—S2 | 2.297 (4) | C6—H6A | 0.9900 |
| Au1—S1 | 2.305 (4) | C6—H6B | 0.9900 |
| Au1—Au2 | 3.1109 (10) | C7—H7B | 0.9900 |
| Au2—S4 | 2.288 (4) | C7—H7A | 0.9900 |
| Au2—S3 | 2.305 (4) | C8—C9 | 1.510 (18) |
| S1—C1 | 1.651 (17) | C8—H8A | 0.9900 |
| S2—C2 | 1.668 (19) | C8—H8B | 0.9900 |
| S3—C3 | 1.69 (2) | C9—H9A | 0.9900 |
| S4—C4 | 1.70 (2) | C9—H9B | 0.9900 |
| C1—N1 | 1.176 (18) | C10—C11 | 1.39 (2) |
| C2—N2 | 1.162 (19) | C10—C15 | 1.43 (2) |
| C3—N3 | 1.16 (2) | C11—C12 | 1.38 (2) |
| C4—N4 | 1.131 (19) | C11—H11 | 0.9500 |
| N2—Bai | 2.877 (13) | C12—C13 | 1.37 (2) |
| Ba—N1 | 2.834 (14) | C12—H12 | 0.9500 |
| Ba—N2ii | 2.877 (13) | C13—C14 | 1.36 (2) |
| Ba—N3 | 2.774 (14) | C13—H13 | 0.9500 |
| Ba—O7 | 2.840 (9) | C14—C15 | 1.38 (2) |
| Ba—O17 | 2.845 (9) | C14—H14 | 0.9500 |
| Ba—O19 | 2.921 (12) | C16—C17 | 1.51 (2) |
| Ba—O9 | 2.927 (12) | C16—H16B | 0.9900 |
| Ba—O15 | 2.940 (11) | C16—H16A | 0.9900 |
| Ba—O5 | 2.988 (10) | C17—H17A | 0.9900 |
| O5—C5 | 1.479 (18) | C17—H17B | 0.9900 |
| O5—C6 | 1.486 (17) | C18—C19 | 1.51 (2) |
| O7—C7 | 1.446 (15) | C18—H18B | 0.9900 |
| O7—C8 | 1.447 (16) | C18—H18A | 0.9900 |
| O9—C10 | 1.454 (17) | C19—H19B | 0.9900 |
| O9—C9 | 1.504 (18) | C19—H19A | 0.9900 |
| O15—C15 | 1.418 (18) | C20—C21 | 1.39 (2) |
| O15—C16 | 1.467 (18) | C21—C22 | 1.35 (2) |
| O17—C17 | 1.438 (17) | C21—H21 | 0.9500 |
| O17—C18 | 1.443 (16) | C22—C23 | 1.39 (2) |
| O19—C20 | 1.436 (18) | C22—H22 | 0.9500 |
| O19—C19 | 1.453 (17) | C23—C24 | 1.37 (2) |
| C5—C24 | 1.388 (19) | C23—H23 | 0.9500 |
| C5—C20 | 1.40 (2) | C24—H24 | 0.9500 |
| C6—C7 | 1.477 (19) | ||
| S2—Au1—S1 | 172.10 (16) | O5—C6—H6B | 110.0 |
| S2—Au1—Au2 | 95.32 (13) | H6A—C6—H6B | 108.4 |
| S1—Au1—Au2 | 92.58 (10) | O7—C7—C6 | 111.0 (11) |
| S4—Au2—S3 | 171.03 (16) | O7—C7—H7B | 109.4 |
| S4—Au2—Au1 | 94.73 (11) | C6—C7—H7B | 109.4 |
| S3—Au2—Au1 | 94.10 (12) | O7—C7—H7A | 109.4 |
| C1—S1—Au1 | 100.5 (5) | C6—C7—H7A | 109.4 |
| C2—S2—Au1 | 103.4 (5) | H7B—C7—H7A | 108.0 |
| C3—S3—Au2 | 97.5 (5) | O7—C8—C9 | 109.7 (11) |
| C4—S4—Au2 | 102.8 (6) | O7—C8—H8A | 109.7 |
| N1—C1—S1 | 177.0 (14) | C9—C8—H8A | 109.7 |
| N2—C2—S2 | 174.5 (14) | O7—C8—H8B | 109.7 |
| N3—C3—S3 | 177.4 (16) | C9—C8—H8B | 109.7 |
| N4—C4—S4 | 177.4 (16) | H8A—C8—H8B | 108.2 |
| C1—N1—Ba | 179.0 (13) | O9—C9—C8 | 108.1 (12) |
| C2—N2—Bai | 149.7 (12) | O9—C9—H9A | 110.1 |
| C3—N3—Ba | 131.2 (13) | C8—C9—H9A | 110.1 |
| N3—Ba—N1 | 71.0 (4) | O9—C9—H9B | 110.1 |
| N3—Ba—O7 | 127.0 (4) | C8—C9—H9B | 110.1 |
| N1—Ba—O7 | 80.9 (3) | H9A—C9—H9B | 108.4 |
| N3—Ba—O17 | 80.5 (4) | C11—C10—C15 | 120.6 (14) |
| N1—Ba—O17 | 129.3 (3) | C11—C10—O9 | 123.7 (14) |
| O7—Ba—O17 | 147.3 (3) | C15—C10—O9 | 115.6 (13) |
| N3—Ba—N2ii | 136.9 (4) | C12—C11—C10 | 119.2 (15) |
| N1—Ba—N2ii | 150.2 (4) | C12—C11—H11 | 120.4 |
| O7—Ba—N2ii | 72.6 (3) | C10—C11—H11 | 120.4 |
| O17—Ba—N2ii | 74.8 (3) | C13—C12—C11 | 120.5 (15) |
| N3—Ba—O19 | 68.0 (4) | C13—C12—H12 | 119.8 |
| N1—Ba—O19 | 135.3 (3) | C11—C12—H12 | 119.8 |
| O7—Ba—O19 | 110.3 (3) | C14—C13—C12 | 120.7 (15) |
| O17—Ba—O19 | 59.6 (3) | C14—C13—H13 | 119.6 |
| N2ii—Ba—O19 | 69.0 (4) | C12—C13—H13 | 119.6 |
| N3—Ba—O9 | 141.5 (4) | C13—C14—C15 | 122.4 (16) |
| N1—Ba—O9 | 73.8 (3) | C13—C14—H14 | 118.8 |
| O7—Ba—O9 | 60.3 (3) | C15—C14—H14 | 118.8 |
| O17—Ba—O9 | 111.3 (3) | C14—C15—O15 | 126.7 (15) |
| N2ii—Ba—O9 | 81.1 (3) | C14—C15—C10 | 116.6 (15) |
| O19—Ba—O9 | 150.1 (3) | O15—C15—C10 | 116.6 (13) |
| N3—Ba—O15 | 114.1 (4) | O15—C16—C17 | 111.3 (13) |
| N1—Ba—O15 | 95.8 (4) | O15—C16—H16B | 109.4 |
| O7—Ba—O15 | 112.7 (3) | C17—C16—H16B | 109.4 |
| O17—Ba—O15 | 58.9 (3) | O15—C16—H16A | 109.4 |
| N2ii—Ba—O15 | 82.3 (3) | C17—C16—H16A | 109.4 |
| O19—Ba—O15 | 116.7 (3) | H16B—C16—H16A | 108.0 |
| O9—Ba—O15 | 54.7 (3) | O17—C17—C16 | 108.9 (12) |
| N3—Ba—O5 | 89.6 (4) | O17—C17—H17A | 109.9 |
| N1—Ba—O5 | 108.7 (4) | C16—C17—H17A | 109.9 |
| O7—Ba—O5 | 57.9 (3) | O17—C17—H17B | 109.9 |
| O17—Ba—O5 | 112.1 (3) | C16—C17—H17B | 109.9 |
| N2ii—Ba—O5 | 68.4 (3) | H17A—C17—H17B | 108.3 |
| O19—Ba—O5 | 54.6 (3) | O17—C18—C19 | 107.2 (11) |
| O9—Ba—O5 | 116.4 (3) | O17—C18—H18B | 110.3 |
| O15—Ba—O5 | 150.7 (3) | C19—C18—H18B | 110.3 |
| C5—O5—C6 | 118.4 (11) | O17—C18—H18A | 110.3 |
| C5—O5—Ba | 105.1 (8) | C19—C18—H18A | 110.3 |
| C6—O5—Ba | 113.0 (8) | H18B—C18—H18A | 108.5 |
| C7—O7—C8 | 112.3 (10) | O19—C19—C18 | 109.9 (13) |
| C7—O7—Ba | 121.4 (8) | O19—C19—H19B | 109.7 |
| C8—O7—Ba | 117.9 (7) | C18—C19—H19B | 109.7 |
| C10—O9—C9 | 115.7 (12) | O19—C19—H19A | 109.7 |
| C10—O9—Ba | 105.0 (8) | C18—C19—H19A | 109.7 |
| C9—O9—Ba | 110.0 (8) | H19B—C19—H19A | 108.2 |
| C15—O15—C16 | 116.4 (12) | C21—C20—C5 | 118.0 (14) |
| C15—O15—Ba | 106.3 (8) | C21—C20—O19 | 125.5 (14) |
| C16—O15—Ba | 112.6 (8) | C5—C20—O19 | 116.4 (14) |
| C17—O17—C18 | 109.8 (11) | C22—C21—C20 | 120.9 (16) |
| C17—O17—Ba | 121.3 (9) | C22—C21—H21 | 119.6 |
| C18—O17—Ba | 117.7 (8) | C20—C21—H21 | 119.6 |
| C20—O19—C19 | 116.6 (12) | C21—C22—C23 | 120.4 (16) |
| C20—O19—Ba | 107.6 (8) | C21—C22—H22 | 119.8 |
| C19—O19—Ba | 111.1 (8) | C23—C22—H22 | 119.8 |
| C24—C5—C20 | 121.6 (15) | C24—C23—C22 | 120.5 (16) |
| C24—C5—O5 | 121.1 (14) | C24—C23—H23 | 119.7 |
| C20—C5—O5 | 117.1 (13) | C22—C23—H23 | 119.7 |
| C7—C6—O5 | 108.6 (11) | C23—C24—C5 | 118.5 (16) |
| C7—C6—H6A | 110.0 | C23—C24—H24 | 120.7 |
| O5—C6—H6A | 110.0 | C5—C24—H24 | 120.7 |
| C7—C6—H6B | 110.0 | ||
| S2—Au1—Au2—S4 | 110.83 (15) | C10—C11—C12—C13 | 0(2) |
| S1—Au1—Au2—S4 | −69.26 (14) | C11—C12—C13—C14 | 2(2) |
| S2—Au1—Au2—S3 | −70.74 (16) | C12—C13—C14—C15 | −1(2) |
| S1—Au1—Au2—S3 | 109.17 (16) | C13—C14—C15—O15 | 174.1 (13) |
| S2—Au1—S1—C1 | 118.4 (11) | C13—C14—C15—C10 | −1(2) |
| Au2—Au1—S1—C1 | −60.9 (6) | C16—O15—C15—C14 | −3(2) |
| S1—Au1—S2—C2 | 125.3 (11) | C16—O15—C15—C10 | 172.1 (12) |
| Au2—Au1—S2—C2 | −55.4 (6) | C11—C10—C15—C14 | 3(2) |
| S4—Au2—S3—C3 | 64.5 (13) | O9—C10—C15—C14 | 178.7 (12) |
| Au1—Au2—S3—C3 | −105.4 (6) | C11—C10—C15—O15 | −172.5 (12) |
| S3—Au2—S4—C4 | 167.1 (11) | O9—C10—C15—O15 | 3.0 (18) |
| Au1—Au2—S4—C4 | −23.0 (6) | C15—O15—C16—C17 | −173.8 (12) |
| Au1—S1—C1—N1 | 154 (30) | C18—O17—C17—C16 | 178.7 (13) |
| Au1—S2—C2—N2 | −168 (17) | O15—C16—C17—O17 | 58.9 (16) |
| Au2—S3—C3—N3 | −148 (35) | C17—O17—C18—C19 | −169.6 (12) |
| Au2—S4—C4—N4 | −125 (37) | C20—O19—C19—C18 | 177.5 (11) |
| S1—C1—N1—Ba | −68 (93) | O17—C18—C19—O19 | −67.0 (15) |
| S2—C2—N2—Bai | 61 (18) | C24—C5—C20—C21 | −1(2) |
| S3—C3—N3—Ba | −115 (35) | O5—C5—C20—C21 | −175.5 (12) |
| C6—O5—C5—C24 | −2.7 (18) | C24—C5—C20—O19 | 176.2 (12) |
| C6—O5—C5—C20 | 172.0 (12) | O5—C5—C20—O19 | 1.4 (18) |
| C5—O5—C6—C7 | −174.4 (11) | C19—O19—C20—C21 | 2(2) |
| C8—O7—C7—C6 | 172.3 (11) | C19—O19—C20—C5 | −174.6 (12) |
| O5—C6—C7—O7 | 59.6 (14) | C5—C20—C21—C22 | 2(2) |
| C7—O7—C8—C9 | −169.0 (11) | O19—C20—C21—C22 | −174.3 (13) |
| C10—O9—C9—C8 | 174.3 (11) | C20—C21—C22—C23 | −4(2) |
| O7—C8—C9—O9 | −66.0 (14) | C21—C22—C23—C24 | 3(2) |
| C9—O9—C10—C11 | 3.7 (19) | C22—C23—C24—C5 | −2(2) |
| C9—O9—C10—C15 | −171.6 (12) | C20—C5—C24—C23 | 1(2) |
| C15—C10—C11—C12 | −3(2) | O5—C5—C24—C23 | 175.1 (12) |
| O9—C10—C11—C12 | −178.0 (13) |
Selected bond lengths (Å)
| Au1—S2 | 2.297 (4) |
| Au1—S1 | 2.305 (4) |
| Au2—S4 | 2.288 (4) |
| Au2—S3 | 2.305 (4) |
| Ba—N1 | 2.834 (14) |
| Ba—N2i | 2.877 (13) |
| Ba—N3 | 2.774 (14) |
| Ba—O7 | 2.840 (9) |
| Ba—O17 | 2.845 (9) |
| Ba—O19 | 2.921 (12) |
| Ba—O9 | 2.927 (12) |
| Ba—O15 | 2.940 (11) |
| Ba—O5 | 2.988 (10) |
Symmetry code: (i) .