| Literature DB >> 21582080 |
Christine M Beavers1, Latisha Paw U, Marilyn M Olmstead.
Abstract
The structure of the title compound, poly[triaquatetra-μ-cyanido-tetracyanidobis-(1,4,10,13-tetra-oxa-7,16-diaza-cyclo-octa-deca-ne)di-barium(II)tetra-gold(I)], [Au(4)Ba(2)(CN)(8)(C(12)H(26)N(2)O(4))(2)(H(2)O)(3)](n), displays O-H⋯N hydrogen bonding between water molecules and cyano ligands and an unusual pattern of aurophilic inter-actions that yields a monomer, dimer, and trimer of [Au(CN)(2)](-) within the same crystal structure. In two of the five Au positions, the atom resides on a center of inversion. The overall arrangement is that of a coordination polymer assisted by aurophilic and hydrogen-bonded inter-actions.Entities:
Year: 2009 PMID: 21582080 PMCID: PMC2968470 DOI: 10.1107/S1600536809005285
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Au4Ba2(CN)8(C12H26N2O4)2(H2O)3] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 7386 reflections | |
| θ = 2.4–31.5° | |
| µ = 13.43 mm−1 | |
| α = 64.142 (2)° | |
| β = 70.523 (2)° | Prism, colorless |
| γ = 79.027 (3)° | 0.20 × 0.15 × 0.12 mm |
| Bruker SMART APEXII diffractometer | 15056 independent reflections |
| Radiation source: fine-focus sealed tube | 13234 reflections with |
| graphite | |
| Detector resolution: 8.3 pixels mm-1 | θmax = 30.5°, θmin = 2.0° |
| ω scans | |
| Absorption correction: multi-scan ( | |
| 46665 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 atoms treated by a mixture of independent and constrained refinement | |
| 15056 reflections | (Δ/σ)max = 0.004 |
| 585 parameters | Δρmax = 1.06 e Å−3 |
| 13 restraints | Δρmin = −0.89 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 |
| Ba1 | 0.755709 (15) | 0.334179 (12) | 0.759393 (11) | 0.01240 (3) | |
| Ba2 | 0.742307 (15) | 0.821847 (11) | 0.765305 (11) | 0.01231 (3) | |
| Au1 | 0.836864 (11) | −0.115019 (9) | 1.242169 (9) | 0.02120 (3) | |
| Au2 | 1.0000 | 0.0000 | 1.0000 | 0.01559 (3) | |
| Au3 | 0.551751 (11) | 0.686535 (8) | 0.561101 (8) | 0.01723 (3) | |
| Au4 | 0.337214 (11) | 0.634372 (8) | 0.764727 (8) | 0.01702 (3) | |
| Au5 | 1.0000 | 0.5000 | 1.0000 | 0.01710 (3) | |
| O1 | 0.8799 (2) | 0.37038 (15) | 0.56699 (14) | 0.0192 (4) | |
| O2 | 0.49357 (19) | 0.39306 (16) | 0.79701 (15) | 0.0212 (4) | |
| O3 | 0.6317 (2) | 0.37402 (15) | 0.91746 (15) | 0.0196 (4) | |
| O4 | 1.02624 (19) | 0.34617 (15) | 0.68338 (14) | 0.0178 (4) | |
| O5 | 0.6461 (2) | 0.17261 (17) | 0.80175 (19) | 0.0304 (6) | |
| H5C | 0.711 (2) | 0.141 (2) | 0.784 (3) | 0.036* | |
| H5D | 0.585 (2) | 0.160 (3) | 0.791 (3) | 0.036* | |
| O6 | 0.8761 (3) | 0.88170 (17) | 0.56832 (16) | 0.0346 (6) | |
| O7 | 0.6071 (3) | 0.88026 (18) | 0.62624 (19) | 0.0385 (6) | |
| O8 | 0.6167 (2) | 0.86170 (17) | 0.92912 (16) | 0.0312 (6) | |
| O9 | 0.8862 (3) | 0.86207 (18) | 0.86293 (18) | 0.0361 (6) | |
| O10 | 0.8497 (2) | 0.67323 (16) | 0.70570 (17) | 0.0226 (5) | |
| H10C | 0.9171 (19) | 0.644 (2) | 0.717 (2) | 0.027* | |
| H10D | 0.803 (3) | 0.6342 (18) | 0.711 (3) | 0.027* | |
| O11 | 0.7417 (2) | 1.01450 (16) | 0.68894 (17) | 0.0241 (5) | |
| H11C | 0.792 (3) | 1.042 (2) | 0.696 (2) | 0.029* | |
| H11D | 0.711 (3) | 1.0566 (17) | 0.6479 (19) | 0.029* | |
| N1 | 0.6063 (3) | 0.36039 (19) | 0.63095 (18) | 0.0200 (5) | |
| H1 | 0.597 (4) | 0.3021 (10) | 0.644 (3) | 0.032 (11)* | |
| N2 | 0.9045 (2) | 0.39262 (18) | 0.84017 (18) | 0.0181 (5) | |
| H2 | 0.917 (3) | 0.4529 (9) | 0.812 (2) | 0.030 (10)* | |
| N3 | 0.5818 (3) | −0.1406 (2) | 1.2162 (2) | 0.0325 (7) | |
| N4 | 1.0905 (3) | −0.1036 (3) | 1.2788 (2) | 0.0372 (8) | |
| N5 | 0.8290 (2) | 0.17401 (19) | 0.90908 (18) | 0.0203 (5) | |
| N6 | 0.7368 (3) | 0.53453 (19) | 0.66500 (19) | 0.0221 (5) | |
| N7 | 0.3765 (3) | 0.8392 (2) | 0.4486 (2) | 0.0298 (6) | |
| N8 | 0.1005 (3) | 0.5907 (2) | 0.72896 (19) | 0.0249 (6) | |
| N9 | 0.5559 (3) | 0.68713 (19) | 0.81265 (18) | 0.0216 (5) | |
| N10 | 0.4887 (2) | 0.9078 (2) | 0.7923 (2) | 0.0276 (6) | |
| H10 | 0.508 (3) | 0.9636 (12) | 0.779 (3) | 0.033* | |
| N11 | 1.0211 (3) | 0.8329 (2) | 0.6984 (2) | 0.0293 (7) | |
| H11 | 1.036 (4) | 0.7737 (9) | 0.712 (3) | 0.035* | |
| N12 | 0.8064 (3) | 0.65633 (19) | 0.91243 (18) | 0.0217 (5) | |
| C1 | 0.8104 (3) | 0.3508 (2) | 0.5183 (2) | 0.0245 (7) | |
| H1D | 0.8024 | 0.2826 | 0.5430 | 0.029* | |
| H1B | 0.8566 | 0.3734 | 0.4507 | 0.029* | |
| C2 | 0.6811 (3) | 0.3991 (2) | 0.5322 (2) | 0.0250 (7) | |
| H1C | 0.6900 | 0.4666 | 0.5112 | 0.030* | |
| H2B | 0.6354 | 0.3918 | 0.4936 | 0.030* | |
| C3 | 0.4815 (3) | 0.4099 (2) | 0.6491 (2) | 0.0252 (7) | |
| H3A | 0.4272 | 0.3997 | 0.6176 | 0.030* | |
| H3B | 0.4932 | 0.4778 | 0.6226 | 0.030* | |
| C4 | 0.4152 (3) | 0.3767 (2) | 0.7524 (2) | 0.0253 (7) | |
| H4A | 0.3309 | 0.4108 | 0.7631 | 0.030* | |
| H4B | 0.4009 | 0.3091 | 0.7792 | 0.030* | |
| C5 | 0.4311 (3) | 0.3700 (2) | 0.8944 (2) | 0.0259 (7) | |
| H5A | 0.4316 | 0.3013 | 0.9295 | 0.031* | |
| H5B | 0.3410 | 0.3949 | 0.9032 | 0.031* | |
| C6 | 0.5012 (3) | 0.4122 (2) | 0.9303 (2) | 0.0252 (7) | |
| H6A | 0.4999 | 0.4810 | 0.8957 | 0.030* | |
| H6B | 0.4590 | 0.3976 | 0.9976 | 0.030* | |
| C7 | 0.7032 (3) | 0.4129 (2) | 0.9502 (2) | 0.0252 (7) | |
| H7A | 0.6608 | 0.4012 | 1.0169 | 0.030* | |
| H7B | 0.7071 | 0.4812 | 0.9134 | 0.030* | |
| C8 | 0.8359 (3) | 0.3674 (2) | 0.9393 (2) | 0.0231 (7) | |
| H8A | 0.8832 | 0.3878 | 0.9683 | 0.028* | |
| H8B | 0.8309 | 0.2987 | 0.9719 | 0.028* | |
| C9 | 1.0344 (3) | 0.3478 (2) | 0.8259 (2) | 0.0236 (7) | |
| H9B | 1.0292 | 0.2790 | 0.8581 | 0.028* | |
| H9C | 1.0849 | 0.3674 | 0.8534 | 0.028* | |
| C10 | 1.1001 (3) | 0.3746 (2) | 0.7230 (2) | 0.0240 (7) | |
| H10A | 1.1085 | 0.4431 | 0.6909 | 0.029* | |
| H10B | 1.1870 | 0.3438 | 0.7142 | 0.029* | |
| C11 | 1.0825 (3) | 0.3751 (2) | 0.5846 (2) | 0.0243 (7) | |
| H11A | 1.1733 | 0.3520 | 0.5717 | 0.029* | |
| H11B | 1.0793 | 0.4442 | 0.5535 | 0.029* | |
| C12 | 1.0113 (3) | 0.3369 (2) | 0.5466 (2) | 0.0226 (6) | |
| H12A | 1.0491 | 0.3576 | 0.4780 | 0.027* | |
| H12B | 1.0173 | 0.2678 | 0.5757 | 0.027* | |
| C13 | 0.9970 (3) | −0.1053 (2) | 1.2646 (2) | 0.0248 (7) | |
| C14 | 0.6740 (3) | −0.1307 (2) | 1.2255 (2) | 0.0243 (7) | |
| C15 | 0.8885 (3) | 0.1093 (2) | 0.9446 (2) | 0.0175 (6) | |
| C16 | 0.6695 (3) | 0.5908 (2) | 0.6263 (2) | 0.0179 (6) | |
| C17 | 0.4399 (3) | 0.7836 (2) | 0.4903 (2) | 0.0217 (6) | |
| C18 | 0.1896 (3) | 0.6048 (2) | 0.7407 (2) | 0.0204 (6) | |
| C19 | 0.4775 (3) | 0.6657 (2) | 0.7950 (2) | 0.0188 (6) | |
| C20 | 0.8099 (5) | 0.8607 (3) | 0.5204 (3) | 0.0476 (12) | |
| H20A | 0.7989 | 0.7926 | 0.5479 | 0.057* | |
| H20B | 0.8590 | 0.8799 | 0.4535 | 0.057* | |
| C21 | 0.6840 (5) | 0.9118 (3) | 0.5291 (3) | 0.0479 (12) | |
| H21A | 0.6960 | 0.9796 | 0.5038 | 0.058* | |
| H21B | 0.6385 | 0.9021 | 0.4918 | 0.058* | |
| C22 | 0.4890 (4) | 0.9331 (3) | 0.6355 (3) | 0.0411 (10) | |
| H22A | 0.4389 | 0.9243 | 0.6004 | 0.049* | |
| H22B | 0.5052 | 1.0003 | 0.6085 | 0.049* | |
| C23 | 0.4141 (3) | 0.9032 (3) | 0.7363 (3) | 0.0441 (11) | |
| H23A | 0.3352 | 0.9441 | 0.7419 | 0.053* | |
| H23B | 0.3885 | 0.8384 | 0.7609 | 0.053* | |
| C24 | 0.4193 (4) | 0.8799 (3) | 0.8896 (3) | 0.0449 (11) | |
| H24A | 0.4107 | 0.8115 | 0.9194 | 0.054* | |
| H24B | 0.3324 | 0.9107 | 0.8958 | 0.054* | |
| C25 | 0.4878 (4) | 0.9064 (3) | 0.9372 (3) | 0.0449 (12) | |
| H25A | 0.4934 | 0.9752 | 0.9087 | 0.054* | |
| H25B | 0.4395 | 0.8873 | 1.0041 | 0.054* | |
| C26 | 0.6879 (5) | 0.8926 (3) | 0.9667 (3) | 0.0441 (11) | |
| H26A | 0.6419 | 0.8806 | 1.0329 | 0.053* | |
| H26B | 0.6984 | 0.9607 | 0.9314 | 0.053* | |
| C27 | 0.8161 (4) | 0.8417 (3) | 0.9603 (3) | 0.0430 (11) | |
| H27A | 0.8651 | 0.8609 | 0.9891 | 0.052* | |
| H27B | 0.8053 | 0.7736 | 0.9951 | 0.052* | |
| C28 | 1.0160 (4) | 0.8261 (3) | 0.8502 (3) | 0.0439 (11) | |
| H28A | 1.0189 | 0.7569 | 0.8789 | 0.053* | |
| H28B | 1.0592 | 0.8475 | 0.8808 | 0.053* | |
| C29 | 1.0828 (3) | 0.8602 (3) | 0.7471 (3) | 0.0453 (11) | |
| H29A | 1.0841 | 0.9292 | 0.7200 | 0.054* | |
| H29B | 1.1725 | 0.8346 | 0.7378 | 0.054* | |
| C30 | 1.0738 (4) | 0.8775 (3) | 0.5983 (3) | 0.0507 (13) | |
| H30A | 1.1665 | 0.8604 | 0.5811 | 0.061* | |
| H30B | 1.0632 | 0.9462 | 0.5781 | 0.061* | |
| C31 | 1.0091 (4) | 0.8489 (3) | 0.5484 (3) | 0.0485 (12) | |
| H31A | 1.0509 | 0.8766 | 0.4801 | 0.058* | |
| H31B | 1.0157 | 0.7801 | 0.5701 | 0.058* | |
| C32 | 0.8760 (3) | 0.5980 (2) | 0.9448 (2) | 0.0186 (6) |
| Ba1 | 0.01125 (7) | 0.01328 (8) | 0.01126 (7) | −0.00179 (6) | −0.00387 (6) | −0.00274 (6) |
| Ba2 | 0.01208 (7) | 0.01168 (8) | 0.01154 (7) | −0.00047 (6) | −0.00365 (6) | −0.00308 (6) |
| Au1 | 0.02148 (6) | 0.02113 (6) | 0.02549 (6) | 0.00010 (5) | −0.00862 (5) | −0.01244 (5) |
| Au2 | 0.01522 (7) | 0.01358 (7) | 0.01744 (7) | 0.00157 (6) | −0.00750 (6) | −0.00462 (6) |
| Au3 | 0.01753 (5) | 0.01549 (6) | 0.01742 (5) | −0.00105 (4) | −0.00516 (4) | −0.00528 (4) |
| Au4 | 0.01769 (5) | 0.01667 (6) | 0.01733 (5) | −0.00038 (4) | −0.00625 (4) | −0.00666 (4) |
| Au5 | 0.01969 (8) | 0.01373 (8) | 0.01890 (8) | 0.00225 (6) | −0.01073 (6) | −0.00489 (6) |
| O1 | 0.0210 (11) | 0.0224 (12) | 0.0160 (10) | −0.0025 (9) | −0.0038 (8) | −0.0099 (9) |
| O2 | 0.0146 (10) | 0.0233 (12) | 0.0211 (11) | −0.0044 (9) | −0.0029 (8) | −0.0050 (9) |
| O3 | 0.0197 (11) | 0.0173 (11) | 0.0204 (11) | 0.0014 (8) | −0.0026 (9) | −0.0096 (9) |
| O4 | 0.0138 (10) | 0.0186 (11) | 0.0186 (10) | −0.0028 (8) | −0.0028 (8) | −0.0057 (9) |
| O5 | 0.0321 (14) | 0.0211 (13) | 0.0455 (16) | 0.0010 (11) | −0.0217 (12) | −0.0133 (12) |
| O6 | 0.0570 (17) | 0.0228 (13) | 0.0167 (12) | −0.0110 (12) | 0.0039 (11) | −0.0085 (10) |
| O7 | 0.0507 (17) | 0.0250 (14) | 0.0415 (16) | −0.0065 (12) | −0.0318 (14) | 0.0006 (12) |
| O8 | 0.0482 (16) | 0.0201 (12) | 0.0181 (12) | 0.0000 (11) | −0.0005 (11) | −0.0083 (10) |
| O9 | 0.0453 (16) | 0.0313 (15) | 0.0348 (14) | −0.0091 (12) | −0.0259 (13) | −0.0028 (12) |
| O10 | 0.0205 (11) | 0.0212 (12) | 0.0301 (12) | −0.0005 (9) | −0.0100 (10) | −0.0121 (10) |
| O11 | 0.0274 (12) | 0.0167 (12) | 0.0290 (13) | −0.0023 (9) | −0.0157 (10) | −0.0038 (10) |
| N1 | 0.0242 (13) | 0.0149 (13) | 0.0211 (13) | −0.0020 (11) | −0.0116 (11) | −0.0033 (11) |
| N2 | 0.0242 (13) | 0.0143 (13) | 0.0168 (12) | −0.0027 (10) | −0.0090 (10) | −0.0041 (10) |
| N3 | 0.0294 (16) | 0.0315 (17) | 0.0419 (19) | 0.0025 (13) | −0.0157 (14) | −0.0171 (15) |
| N4 | 0.0334 (17) | 0.053 (2) | 0.0303 (17) | −0.0164 (15) | −0.0080 (14) | −0.0169 (16) |
| N5 | 0.0198 (13) | 0.0196 (14) | 0.0206 (13) | −0.0001 (10) | −0.0064 (11) | −0.0071 (11) |
| N6 | 0.0242 (14) | 0.0173 (13) | 0.0232 (14) | −0.0034 (11) | −0.0046 (11) | −0.0075 (11) |
| N7 | 0.0289 (15) | 0.0247 (16) | 0.0292 (16) | −0.0028 (12) | −0.0103 (13) | −0.0029 (13) |
| N8 | 0.0240 (14) | 0.0292 (16) | 0.0251 (14) | 0.0018 (12) | −0.0080 (12) | −0.0145 (13) |
| N9 | 0.0240 (13) | 0.0176 (13) | 0.0198 (13) | −0.0013 (11) | −0.0081 (11) | −0.0033 (11) |
| N10 | 0.0115 (12) | 0.0229 (15) | 0.0368 (17) | −0.0031 (11) | 0.0001 (11) | −0.0059 (13) |
| N11 | 0.0139 (13) | 0.0155 (14) | 0.0452 (18) | −0.0019 (11) | −0.0018 (12) | −0.0047 (13) |
| N12 | 0.0233 (13) | 0.0185 (14) | 0.0213 (13) | −0.0015 (11) | −0.0060 (11) | −0.0062 (11) |
| C1 | 0.0352 (18) | 0.0253 (17) | 0.0186 (15) | −0.0042 (14) | −0.0113 (14) | −0.0100 (13) |
| C2 | 0.0350 (18) | 0.0220 (17) | 0.0221 (16) | −0.0047 (14) | −0.0163 (14) | −0.0053 (13) |
| C3 | 0.0243 (16) | 0.0192 (16) | 0.0372 (19) | 0.0004 (13) | −0.0207 (15) | −0.0078 (14) |
| C4 | 0.0152 (14) | 0.0203 (16) | 0.040 (2) | 0.0004 (12) | −0.0115 (14) | −0.0100 (15) |
| C5 | 0.0182 (15) | 0.0244 (17) | 0.0198 (16) | −0.0035 (13) | 0.0032 (12) | −0.0006 (13) |
| C6 | 0.0243 (16) | 0.0229 (17) | 0.0210 (16) | 0.0068 (13) | −0.0030 (13) | −0.0079 (14) |
| C7 | 0.0357 (18) | 0.0237 (17) | 0.0198 (16) | −0.0030 (14) | −0.0058 (14) | −0.0128 (14) |
| C8 | 0.0327 (17) | 0.0239 (17) | 0.0176 (15) | −0.0064 (14) | −0.0091 (13) | −0.0094 (13) |
| C9 | 0.0222 (16) | 0.0237 (17) | 0.0256 (17) | −0.0095 (13) | −0.0098 (13) | −0.0049 (14) |
| C10 | 0.0152 (14) | 0.0251 (17) | 0.0313 (18) | −0.0070 (12) | −0.0064 (13) | −0.0087 (14) |
| C11 | 0.0153 (14) | 0.0285 (18) | 0.0197 (16) | −0.0054 (13) | 0.0036 (12) | −0.0058 (14) |
| C12 | 0.0253 (16) | 0.0215 (16) | 0.0177 (15) | 0.0008 (13) | −0.0003 (12) | −0.0099 (13) |
| C13 | 0.0278 (17) | 0.0277 (18) | 0.0198 (16) | −0.0079 (14) | −0.0042 (13) | −0.0096 (14) |
| C14 | 0.0296 (17) | 0.0190 (16) | 0.0306 (18) | 0.0036 (13) | −0.0137 (14) | −0.0139 (14) |
| C15 | 0.0165 (14) | 0.0162 (15) | 0.0181 (14) | −0.0011 (11) | −0.0050 (11) | −0.0052 (12) |
| C16 | 0.0195 (14) | 0.0155 (15) | 0.0189 (14) | −0.0038 (11) | −0.0024 (12) | −0.0081 (12) |
| C17 | 0.0187 (15) | 0.0221 (16) | 0.0202 (15) | −0.0026 (12) | −0.0040 (12) | −0.0054 (13) |
| C18 | 0.0217 (15) | 0.0193 (16) | 0.0214 (15) | 0.0036 (12) | −0.0083 (12) | −0.0095 (13) |
| C19 | 0.0228 (15) | 0.0173 (15) | 0.0136 (14) | −0.0019 (12) | −0.0051 (12) | −0.0035 (12) |
| C20 | 0.095 (4) | 0.029 (2) | 0.0180 (18) | −0.012 (2) | −0.013 (2) | −0.0068 (16) |
| C21 | 0.102 (4) | 0.027 (2) | 0.0231 (19) | −0.023 (2) | −0.035 (2) | 0.0036 (16) |
| C22 | 0.048 (2) | 0.0212 (19) | 0.061 (3) | −0.0042 (17) | −0.041 (2) | −0.0035 (18) |
| C23 | 0.0218 (18) | 0.0214 (19) | 0.096 (4) | 0.0069 (15) | −0.032 (2) | −0.022 (2) |
| C24 | 0.0221 (18) | 0.031 (2) | 0.049 (3) | −0.0013 (16) | 0.0132 (17) | −0.0044 (19) |
| C25 | 0.052 (3) | 0.0237 (19) | 0.0247 (19) | 0.0129 (18) | 0.0159 (17) | −0.0049 (16) |
| C26 | 0.090 (3) | 0.025 (2) | 0.0240 (19) | −0.003 (2) | −0.021 (2) | −0.0123 (16) |
| C27 | 0.085 (3) | 0.029 (2) | 0.0265 (19) | −0.019 (2) | −0.034 (2) | −0.0020 (16) |
| C28 | 0.045 (2) | 0.025 (2) | 0.068 (3) | −0.0060 (17) | −0.042 (2) | −0.004 (2) |
| C29 | 0.0190 (17) | 0.026 (2) | 0.090 (4) | 0.0009 (15) | −0.021 (2) | −0.020 (2) |
| C30 | 0.029 (2) | 0.033 (2) | 0.071 (3) | −0.0104 (17) | 0.023 (2) | −0.027 (2) |
| C31 | 0.057 (3) | 0.029 (2) | 0.035 (2) | −0.0129 (19) | 0.0285 (19) | −0.0169 (18) |
| C32 | 0.0224 (15) | 0.0163 (15) | 0.0167 (14) | −0.0014 (12) | −0.0069 (12) | −0.0051 (12) |
| Ba1—N1 | 2.959 (2) | N10—C23 | 1.463 (5) |
| Ba1—N2 | 2.919 (2) | N10—H10 | 0.87 (3) |
| Ba1—N5 | 2.889 (3) | N11—C30 | 1.441 (5) |
| Ba1—N6 | 2.877 (3) | N11—C29 | 1.447 (5) |
| Ba1—O1 | 2.854 (2) | N11—H11 | 0.87 (3) |
| Ba1—O2 | 2.827 (2) | N12—C32 | 1.147 (4) |
| Ba1—O3 | 2.802 (2) | C1—C2 | 1.489 (5) |
| Ba1—O4 | 2.850 (2) | C1—H1D | 0.9900 |
| Ba1—O5 | 2.764 (2) | C1—H1B | 0.9900 |
| Ba2—N9 | 2.939 (3) | C2—H1C | 0.9900 |
| Ba2—N10 | 2.867 (3) | C2—H2B | 0.9900 |
| Ba2—N11 | 2.929 (3) | C3—C4 | 1.505 (5) |
| Ba2—N12 | 2.867 (3) | C3—H3A | 0.9900 |
| Ba2—O6 | 2.888 (2) | C3—H3B | 0.9900 |
| Ba2—O7 | 2.884 (2) | C4—H4A | 0.9900 |
| Ba2—O8 | 2.888 (2) | C4—H4B | 0.9900 |
| Ba2—O9 | 2.929 (2) | C5—C6 | 1.505 (5) |
| Ba2—O10 | 2.859 (2) | C5—H5A | 0.9900 |
| Ba2—O11 | 2.761 (2) | C5—H5B | 0.9900 |
| Au1—Au2 | 3.5655 (2) | C6—H6A | 0.9900 |
| Au1—C13 | 1.978 (3) | C6—H6B | 0.9900 |
| Au1—C14 | 1.991 (3) | C7—C8 | 1.502 (5) |
| Au2—C15i | 1.986 (3) | C7—H7A | 0.9900 |
| Au2—C15 | 1.986 (3) | C7—H7B | 0.9900 |
| Au3—C16 | 1.985 (3) | C8—H8A | 0.9900 |
| Au3—C17 | 1.990 (3) | C8—H8B | 0.9900 |
| Au3—Au4 | 3.2670 (2) | C9—C10 | 1.506 (4) |
| Au4—C18 | 1.988 (3) | C9—H9B | 0.9900 |
| Au4—C19 | 1.989 (3) | C9—H9C | 0.9900 |
| Au5—C32ii | 1.985 (3) | C10—H10A | 0.9900 |
| Au5—C32 | 1.985 (3) | C10—H10B | 0.9900 |
| O1—C12 | 1.434 (4) | C11—C12 | 1.495 (4) |
| O1—C1 | 1.438 (3) | C11—H11A | 0.9900 |
| O2—C5 | 1.432 (4) | C11—H11B | 0.9900 |
| O2—C4 | 1.432 (4) | C12—H12A | 0.9900 |
| O3—C7 | 1.440 (4) | C12—H12B | 0.9900 |
| O3—C6 | 1.443 (4) | C20—C21 | 1.474 (6) |
| O4—C11 | 1.431 (4) | C20—H20A | 0.9900 |
| O4—C10 | 1.437 (3) | C20—H20B | 0.9900 |
| O5—H5C | 0.84 (3) | C21—H21A | 0.9900 |
| O5—H5D | 0.83 (3) | C21—H21B | 0.9900 |
| O6—C20 | 1.413 (5) | C22—C23 | 1.494 (6) |
| O6—C31 | 1.447 (5) | C22—H22A | 0.9900 |
| O7—C22 | 1.417 (5) | C22—H22B | 0.9900 |
| O7—C21 | 1.452 (5) | C23—H23A | 0.9900 |
| O8—C26 | 1.412 (5) | C23—H23B | 0.9900 |
| O8—C25 | 1.462 (5) | C24—C25 | 1.478 (6) |
| O9—C28 | 1.427 (5) | C24—H24A | 0.9900 |
| O9—C27 | 1.453 (5) | C24—H24B | 0.9900 |
| O10—H10C | 0.83 (4) | C25—H25A | 0.9900 |
| O10—H10D | 0.84 (4) | C25—H25B | 0.9900 |
| O11—H11C | 0.84 (4) | C26—C27 | 1.492 (6) |
| O11—H11D | 0.84 (3) | C26—H26A | 0.9900 |
| N1—C3 | 1.464 (4) | C26—H26B | 0.9900 |
| N1—C2 | 1.467 (4) | C27—H27A | 0.9900 |
| N1—H1 | 0.88 (3) | C27—H27B | 0.9900 |
| N2—C8 | 1.463 (4) | C28—C29 | 1.501 (6) |
| N2—C9 | 1.473 (4) | C28—H28A | 0.9900 |
| N2—H2 | 0.88 (3) | C28—H28B | 0.9900 |
| N3—C14 | 1.134 (4) | C29—H29A | 0.9900 |
| N4—C13 | 1.145 (4) | C29—H29B | 0.9900 |
| N5—C15 | 1.147 (4) | C30—C31 | 1.500 (6) |
| N6—C16 | 1.155 (4) | C30—H30A | 0.9900 |
| N7—C17 | 1.145 (4) | C30—H30B | 0.9900 |
| N8—C18 | 1.147 (4) | C31—H31A | 0.9900 |
| N9—C19 | 1.152 (4) | C31—H31B | 0.9900 |
| N10—C24 | 1.437 (5) | ||
| O5—Ba1—O3 | 102.83 (7) | O1—C1—H1D | 110.0 |
| O5—Ba1—O2 | 79.48 (7) | C2—C1—H1D | 110.0 |
| O3—Ba1—O2 | 59.26 (6) | O1—C1—H1B | 110.0 |
| O5—Ba1—O4 | 119.33 (7) | C2—C1—H1B | 110.0 |
| O3—Ba1—O4 | 119.43 (6) | H1D—C1—H1B | 108.4 |
| O2—Ba1—O4 | 159.10 (6) | N1—C2—C1 | 111.0 (3) |
| O5—Ba1—O1 | 96.10 (7) | N1—C2—H1C | 109.4 |
| O3—Ba1—O1 | 157.80 (6) | C1—C2—H1C | 109.4 |
| O2—Ba1—O1 | 114.11 (6) | N1—C2—H2B | 109.4 |
| O4—Ba1—O1 | 58.19 (6) | C1—C2—H2B | 109.4 |
| O5—Ba1—N6 | 143.22 (7) | H1C—C2—H2B | 108.0 |
| O3—Ba1—N6 | 82.11 (7) | N1—C3—C4 | 111.3 (3) |
| O2—Ba1—N6 | 71.92 (7) | N1—C3—H3A | 109.4 |
| O4—Ba1—N6 | 87.18 (7) | C4—C3—H3A | 109.4 |
| O1—Ba1—N6 | 75.77 (7) | N1—C3—H3B | 109.4 |
| O5—Ba1—N5 | 66.95 (7) | C4—C3—H3B | 109.4 |
| O3—Ba1—N5 | 76.74 (7) | H3A—C3—H3B | 108.0 |
| O2—Ba1—N5 | 115.92 (7) | O2—C4—C3 | 108.9 (2) |
| O4—Ba1—N5 | 81.94 (7) | O2—C4—H4A | 109.9 |
| O1—Ba1—N5 | 122.06 (7) | C3—C4—H4A | 109.9 |
| N6—Ba1—N5 | 147.29 (7) | O2—C4—H4B | 109.9 |
| O5—Ba1—N2 | 136.59 (7) | C3—C4—H4B | 109.9 |
| O3—Ba1—N2 | 60.51 (7) | H4A—C4—H4B | 108.3 |
| O2—Ba1—N2 | 114.90 (7) | O2—C5—C6 | 108.6 (3) |
| O4—Ba1—N2 | 58.94 (7) | O2—C5—H5A | 110.0 |
| O1—Ba1—N2 | 111.94 (7) | C6—C5—H5A | 110.0 |
| N6—Ba1—N2 | 77.83 (7) | O2—C5—H5B | 110.0 |
| N5—Ba1—N2 | 70.12 (7) | C6—C5—H5B | 110.0 |
| O5—Ba1—N1 | 67.30 (7) | H5A—C5—H5B | 108.3 |
| O3—Ba1—N1 | 118.09 (7) | O3—C6—C5 | 108.8 (3) |
| O2—Ba1—N1 | 58.85 (7) | O3—C6—H6A | 109.9 |
| O4—Ba1—N1 | 117.43 (7) | C5—C6—H6A | 109.9 |
| O1—Ba1—N1 | 59.24 (7) | O3—C6—H6B | 109.9 |
| N6—Ba1—N1 | 78.16 (7) | C5—C6—H6B | 109.9 |
| N5—Ba1—N1 | 134.01 (7) | H6A—C6—H6B | 108.3 |
| N2—Ba1—N1 | 155.87 (7) | O3—C7—C8 | 108.5 (2) |
| O11—Ba2—O10 | 137.70 (7) | O3—C7—H7A | 110.0 |
| O11—Ba2—N12 | 143.24 (7) | C8—C7—H7A | 110.0 |
| O10—Ba2—N12 | 67.64 (7) | O3—C7—H7B | 110.0 |
| O11—Ba2—N10 | 67.46 (8) | C8—C7—H7B | 110.0 |
| O10—Ba2—N10 | 131.20 (8) | H7A—C7—H7B | 108.4 |
| N12—Ba2—N10 | 120.42 (8) | N2—C8—C7 | 110.5 (3) |
| O11—Ba2—O7 | 75.90 (7) | N2—C8—H8A | 109.5 |
| O10—Ba2—O7 | 84.97 (7) | C7—C8—H8A | 109.5 |
| N12—Ba2—O7 | 140.41 (7) | N2—C8—H8B | 109.5 |
| N10—Ba2—O7 | 58.47 (9) | C7—C8—H8B | 109.5 |
| O11—Ba2—O8 | 78.61 (7) | H8A—C8—H8B | 108.1 |
| O10—Ba2—O8 | 143.09 (7) | N2—C9—C10 | 110.5 (3) |
| N12—Ba2—O8 | 77.51 (7) | N2—C9—H9B | 109.5 |
| N10—Ba2—O8 | 58.82 (8) | C10—C9—H9B | 109.5 |
| O7—Ba2—O8 | 117.22 (8) | N2—C9—H9C | 109.5 |
| O11—Ba2—O6 | 72.53 (7) | C10—C9—H9C | 109.5 |
| O10—Ba2—O6 | 65.32 (7) | H9B—C9—H9C | 108.1 |
| N12—Ba2—O6 | 125.57 (8) | O4—C10—C9 | 109.3 (2) |
| N10—Ba2—O6 | 110.74 (8) | O4—C10—H10A | 109.8 |
| O7—Ba2—O6 | 58.40 (8) | C9—C10—H10A | 109.8 |
| O8—Ba2—O6 | 151.00 (7) | O4—C10—H10B | 109.8 |
| O11—Ba2—O9 | 75.86 (7) | C9—C10—H10B | 109.8 |
| O10—Ba2—O9 | 115.52 (7) | H10A—C10—H10B | 108.3 |
| N12—Ba2—O9 | 67.84 (7) | O4—C11—C12 | 109.7 (3) |
| N10—Ba2—O9 | 111.03 (8) | O4—C11—H11A | 109.7 |
| O7—Ba2—O9 | 151.71 (7) | C12—C11—H11A | 109.7 |
| O8—Ba2—O9 | 58.02 (8) | O4—C11—H11B | 109.7 |
| O6—Ba2—O9 | 110.70 (8) | C12—C11—H11B | 109.7 |
| O11—Ba2—N11 | 84.00 (7) | H11A—C11—H11B | 108.2 |
| O10—Ba2—N11 | 71.79 (7) | O1—C12—C11 | 108.6 (2) |
| N12—Ba2—N11 | 81.66 (8) | O1—C12—H12A | 110.0 |
| N10—Ba2—N11 | 151.42 (8) | C11—C12—H12A | 110.0 |
| O7—Ba2—N11 | 117.33 (9) | O1—C12—H12B | 110.0 |
| O8—Ba2—N11 | 115.65 (8) | C11—C12—H12B | 110.0 |
| O6—Ba2—N11 | 58.97 (9) | H12A—C12—H12B | 108.3 |
| O9—Ba2—N11 | 57.70 (9) | N4—C13—Au1 | 177.1 (3) |
| O11—Ba2—N9 | 134.24 (7) | N3—C14—Au1 | 179.2 (3) |
| O10—Ba2—N9 | 66.20 (7) | N5—C15—Au2 | 176.8 (3) |
| N12—Ba2—N9 | 75.11 (7) | N6—C16—Au3 | 179.2 (3) |
| N10—Ba2—N9 | 70.20 (8) | N7—C17—Au3 | 179.1 (3) |
| O7—Ba2—N9 | 67.68 (7) | N8—C18—Au4 | 176.4 (3) |
| O8—Ba2—N9 | 93.98 (7) | N9—C19—Au4 | 177.2 (3) |
| O6—Ba2—N9 | 108.12 (7) | O6—C20—C21 | 108.0 (3) |
| O9—Ba2—N9 | 137.08 (7) | O6—C20—H20A | 110.1 |
| N11—Ba2—N9 | 137.13 (8) | C21—C20—H20A | 110.1 |
| C13—Au1—C14 | 177.12 (14) | O6—C20—H20B | 110.1 |
| C15i—Au2—C15 | 179.999 (1) | C21—C20—H20B | 110.1 |
| C16—Au3—C17 | 177.40 (13) | H20A—C20—H20B | 108.4 |
| C16—Au3—Au4 | 87.75 (9) | O7—C21—C20 | 111.0 (3) |
| C17—Au3—Au4 | 94.85 (9) | O7—C21—H21A | 109.4 |
| C18—Au4—C19 | 176.60 (12) | C20—C21—H21A | 109.4 |
| C18—Au4—Au3 | 101.99 (9) | O7—C21—H21B | 109.4 |
| C19—Au4—Au3 | 81.12 (8) | C20—C21—H21B | 109.4 |
| C32ii—Au5—C32 | 179.998 (2) | H21A—C21—H21B | 108.0 |
| C12—O1—C1 | 111.8 (2) | O7—C22—C23 | 110.4 (3) |
| C12—O1—Ba1 | 115.33 (16) | O7—C22—H22A | 109.6 |
| C1—O1—Ba1 | 116.57 (18) | C23—C22—H22A | 109.6 |
| C5—O2—C4 | 111.7 (2) | O7—C22—H22B | 109.6 |
| C5—O2—Ba1 | 113.39 (17) | C23—C22—H22B | 109.6 |
| C4—O2—Ba1 | 119.24 (18) | H22A—C22—H22B | 108.1 |
| C7—O3—C6 | 110.9 (2) | N10—C23—C22 | 111.5 (3) |
| C7—O3—Ba1 | 118.93 (17) | N10—C23—H23A | 109.3 |
| C6—O3—Ba1 | 119.53 (17) | C22—C23—H23A | 109.3 |
| C11—O4—C10 | 110.8 (2) | N10—C23—H23B | 109.3 |
| C11—O4—Ba1 | 119.65 (16) | C22—C23—H23B | 109.3 |
| C10—O4—Ba1 | 121.32 (17) | H23A—C23—H23B | 108.0 |
| Ba1—O5—H5C | 101 (3) | N10—C24—C25 | 109.8 (3) |
| Ba1—O5—H5D | 136 (3) | N10—C24—H24A | 109.7 |
| H5C—O5—H5D | 107 (3) | C25—C24—H24A | 109.7 |
| C20—O6—C31 | 111.5 (3) | N10—C24—H24B | 109.7 |
| C20—O6—Ba2 | 111.6 (2) | C25—C24—H24B | 109.7 |
| C31—O6—Ba2 | 114.4 (2) | H24A—C24—H24B | 108.2 |
| C22—O7—C21 | 111.1 (3) | O8—C25—C24 | 110.8 (3) |
| C22—O7—Ba2 | 120.4 (2) | O8—C25—H25A | 109.5 |
| C21—O7—Ba2 | 116.8 (2) | C24—C25—H25A | 109.5 |
| C26—O8—C25 | 111.7 (3) | O8—C25—H25B | 109.5 |
| C26—O8—Ba2 | 120.0 (2) | C24—C25—H25B | 109.5 |
| C25—O8—Ba2 | 117.8 (2) | H25A—C25—H25B | 108.1 |
| C28—O9—C27 | 113.4 (3) | O8—C26—C27 | 109.3 (3) |
| C28—O9—Ba2 | 115.4 (2) | O8—C26—H26A | 109.8 |
| C27—O9—Ba2 | 112.4 (2) | C27—C26—H26A | 109.8 |
| Ba2—O10—H10C | 120 (2) | O8—C26—H26B | 109.8 |
| Ba2—O10—H10D | 121 (2) | C27—C26—H26B | 109.8 |
| H10C—O10—H10D | 106 (3) | H26A—C26—H26B | 108.3 |
| Ba2—O11—H11C | 121 (2) | O9—C27—C26 | 110.1 (3) |
| Ba2—O11—H11D | 134 (2) | O9—C27—H27A | 109.6 |
| H11C—O11—H11D | 104 (3) | C26—C27—H27A | 109.6 |
| C3—N1—C2 | 112.9 (2) | O9—C27—H27B | 109.6 |
| C3—N1—Ba1 | 114.07 (18) | C26—C27—H27B | 109.6 |
| C2—N1—Ba1 | 112.68 (18) | H27A—C27—H27B | 108.2 |
| C3—N1—H1 | 111 (2) | O9—C28—C29 | 108.8 (3) |
| C2—N1—H1 | 105 (2) | O9—C28—H28A | 109.9 |
| Ba1—N1—H1 | 100 (2) | C29—C28—H28A | 109.9 |
| C8—N2—C9 | 112.6 (2) | O9—C28—H28B | 109.9 |
| C8—N2—Ba1 | 107.68 (17) | C29—C28—H28B | 109.9 |
| C9—N2—Ba1 | 109.42 (17) | H28A—C28—H28B | 108.3 |
| C8—N2—H2 | 110 (2) | N11—C29—C28 | 112.2 (3) |
| C9—N2—H2 | 104 (2) | N11—C29—H29A | 109.2 |
| Ba1—N2—H2 | 113 (2) | C28—C29—H29A | 109.2 |
| C15—N5—Ba1 | 158.4 (2) | N11—C29—H29B | 109.2 |
| C16—N6—Ba1 | 137.8 (2) | C28—C29—H29B | 109.2 |
| C19—N9—Ba2 | 149.6 (2) | H29A—C29—H29B | 107.9 |
| C24—N10—C23 | 113.0 (3) | N11—C30—C31 | 111.3 (3) |
| C24—N10—Ba2 | 112.3 (2) | N11—C30—H30A | 109.4 |
| C23—N10—Ba2 | 115.7 (2) | C31—C30—H30A | 109.4 |
| C24—N10—H10 | 100 (3) | N11—C30—H30B | 109.4 |
| C23—N10—H10 | 116 (3) | C31—C30—H30B | 109.4 |
| Ba2—N10—H10 | 98 (3) | H30A—C30—H30B | 108.0 |
| C30—N11—C29 | 111.7 (3) | O6—C31—C30 | 108.3 (3) |
| C30—N11—Ba2 | 115.4 (2) | O6—C31—H31A | 110.0 |
| C29—N11—Ba2 | 118.3 (2) | C30—C31—H31A | 110.0 |
| C30—N11—H11 | 105 (3) | O6—C31—H31B | 110.0 |
| C29—N11—H11 | 110 (3) | C30—C31—H31B | 110.0 |
| Ba2—N11—H11 | 95 (3) | H31A—C31—H31B | 108.4 |
| C32—N12—Ba2 | 153.4 (2) | N12—C32—Au5 | 178.2 (3) |
| O1—C1—C2 | 108.5 (2) | ||
| C14—Au1—Au2—C15 | 53.73 (13) | O3—Ba1—N1—C2 | 141.49 (19) |
| C13—Au1—Au2—C15 | −127.71 (13) | O2—Ba1—N1—C2 | 143.1 (2) |
| C14—Au1—Au2—C15i | −126.27 (13) | O4—Ba1—N1—C2 | −13.3 (2) |
| C13—Au1—Au2—C15i | 52.29 (13) | O1—Ba1—N1—C2 | −13.15 (19) |
| C16—Au3—Au4—C18 | −125.59 (12) | N6—Ba1—N1—C2 | 67.2 (2) |
| C17—Au3—Au4—C18 | 54.37 (13) | N5—Ba1—N1—C2 | −119.6 (2) |
| C16—Au3—Au4—C19 | 55.81 (12) | N2—Ba1—N1—C2 | 61.5 (3) |
| C17—Au3—Au4—C19 | −124.22 (13) | O5—Ba1—N2—C8 | −51.2 (2) |
| O5—Ba1—O1—C12 | −95.75 (19) | O3—Ba1—N2—C8 | 25.70 (18) |
| O3—Ba1—O1—C12 | 115.7 (2) | O2—Ba1—N2—C8 | 50.2 (2) |
| O2—Ba1—O1—C12 | −176.93 (18) | O4—Ba1—N2—C8 | −152.5 (2) |
| O4—Ba1—O1—C12 | 25.14 (18) | O1—Ba1—N2—C8 | −177.53 (18) |
| N6—Ba1—O1—C12 | 120.7 (2) | N6—Ba1—N2—C8 | 113.4 (2) |
| N5—Ba1—O1—C12 | −29.2 (2) | N5—Ba1—N2—C8 | −59.96 (19) |
| N2—Ba1—O1—C12 | 50.4 (2) | N1—Ba1—N2—C8 | 119.2 (2) |
| N1—Ba1—O1—C12 | −154.7 (2) | O5—Ba1—N2—C9 | 71.4 (2) |
| O5—Ba1—O1—C1 | 38.4 (2) | O3—Ba1—N2—C9 | 148.3 (2) |
| O3—Ba1—O1—C1 | −110.1 (2) | O2—Ba1—N2—C9 | 172.83 (17) |
| O2—Ba1—O1—C1 | −42.8 (2) | O4—Ba1—N2—C9 | −29.84 (17) |
| O4—Ba1—O1—C1 | 159.3 (2) | O1—Ba1—N2—C9 | −54.9 (2) |
| N6—Ba1—O1—C1 | −105.1 (2) | N6—Ba1—N2—C9 | −123.9 (2) |
| N5—Ba1—O1—C1 | 104.9 (2) | N5—Ba1—N2—C9 | 62.67 (19) |
| N2—Ba1—O1—C1 | −175.44 (19) | N1—Ba1—N2—C9 | −118.2 (2) |
| N1—Ba1—O1—C1 | −20.59 (19) | O5—Ba1—N5—C15 | 92.1 (6) |
| O5—Ba1—O2—C5 | 84.9 (2) | O3—Ba1—N5—C15 | −157.5 (6) |
| O3—Ba1—O2—C5 | −27.02 (19) | O2—Ba1—N5—C15 | 156.8 (6) |
| O4—Ba1—O2—C5 | −119.6 (2) | O4—Ba1—N5—C15 | −34.6 (6) |
| O1—Ba1—O2—C5 | 176.92 (19) | O1—Ba1—N5—C15 | 9.6 (7) |
| N6—Ba1—O2—C5 | −118.5 (2) | N6—Ba1—N5—C15 | −106.4 (6) |
| N5—Ba1—O2—C5 | 27.1 (2) | N2—Ba1—N5—C15 | −94.4 (6) |
| N2—Ba1—O2—C5 | −51.9 (2) | N1—Ba1—N5—C15 | 86.0 (6) |
| N1—Ba1—O2—C5 | 154.6 (2) | O5—Ba1—N6—C16 | 4.4 (4) |
| O5—Ba1—O2—C4 | −49.8 (2) | O3—Ba1—N6—C16 | −96.5 (3) |
| O3—Ba1—O2—C4 | −161.8 (2) | O2—Ba1—N6—C16 | −36.4 (3) |
| O4—Ba1—O2—C4 | 105.7 (2) | O4—Ba1—N6—C16 | 143.2 (3) |
| O1—Ba1—O2—C4 | 42.2 (2) | O1—Ba1—N6—C16 | 85.4 (3) |
| N6—Ba1—O2—C4 | 106.7 (2) | N5—Ba1—N6—C16 | −146.4 (3) |
| N5—Ba1—O2—C4 | −107.6 (2) | N2—Ba1—N6—C16 | −157.9 (4) |
| N2—Ba1—O2—C4 | 173.4 (2) | N1—Ba1—N6—C16 | 24.5 (3) |
| N1—Ba1—O2—C4 | 19.9 (2) | O11—Ba2—N9—C19 | 38.5 (5) |
| O5—Ba1—O3—C7 | 143.6 (2) | O10—Ba2—N9—C19 | −95.8 (5) |
| O2—Ba1—O3—C7 | −147.1 (2) | N12—Ba2—N9—C19 | −167.6 (5) |
| O4—Ba1—O3—C7 | 8.8 (2) | N10—Ba2—N9—C19 | 61.7 (5) |
| O1—Ba1—O3—C7 | −68.5 (3) | O7—Ba2—N9—C19 | −1.4 (5) |
| N6—Ba1—O3—C7 | −73.4 (2) | O8—Ba2—N9—C19 | 116.4 (5) |
| N5—Ba1—O3—C7 | 81.4 (2) | O6—Ba2—N9—C19 | −44.5 (5) |
| N2—Ba1—O3—C7 | 7.0 (2) | O9—Ba2—N9—C19 | 161.6 (4) |
| N1—Ba1—O3—C7 | −145.5 (2) | N11—Ba2—N9—C19 | −108.1 (5) |
| O5—Ba1—O3—C6 | −75.0 (2) | O11—Ba2—N10—C24 | −120.0 (3) |
| O2—Ba1—O3—C6 | −5.7 (2) | O10—Ba2—N10—C24 | 105.5 (3) |
| O4—Ba1—O3—C6 | 150.1 (2) | N12—Ba2—N10—C24 | 19.6 (3) |
| O1—Ba1—O3—C6 | 72.8 (3) | O7—Ba2—N10—C24 | 153.1 (3) |
| N6—Ba1—O3—C6 | 67.9 (2) | O8—Ba2—N10—C24 | −29.9 (2) |
| N5—Ba1—O3—C6 | −137.2 (2) | O6—Ba2—N10—C24 | −179.7 (2) |
| N2—Ba1—O3—C6 | 148.3 (2) | O9—Ba2—N10—C24 | −56.3 (3) |
| N1—Ba1—O3—C6 | −4.1 (2) | N11—Ba2—N10—C24 | −116.9 (3) |
| O5—Ba1—O4—C11 | 85.4 (2) | N9—Ba2—N10—C24 | 77.8 (3) |
| O3—Ba1—O4—C11 | −147.1 (2) | O11—Ba2—N10—C23 | 108.2 (3) |
| O2—Ba1—O4—C11 | −66.7 (3) | O10—Ba2—N10—C23 | −26.3 (3) |
| O1—Ba1—O4—C11 | 7.2 (2) | N12—Ba2—N10—C23 | −112.1 (2) |
| N6—Ba1—O4—C11 | −67.8 (2) | O7—Ba2—N10—C23 | 21.3 (2) |
| N5—Ba1—O4—C11 | 143.2 (2) | O8—Ba2—N10—C23 | −161.7 (3) |
| N2—Ba1—O4—C11 | −145.2 (2) | O6—Ba2—N10—C23 | 48.5 (3) |
| N1—Ba1—O4—C11 | 7.3 (2) | O9—Ba2—N10—C23 | 171.9 (2) |
| O5—Ba1—O4—C10 | −129.2 (2) | N11—Ba2—N10—C23 | 111.3 (3) |
| O3—Ba1—O4—C10 | −1.6 (2) | N9—Ba2—N10—C23 | −54.0 (2) |
| O2—Ba1—O4—C10 | 78.7 (3) | O11—Ba2—N11—C30 | −63.8 (2) |
| O1—Ba1—O4—C10 | 152.7 (2) | O10—Ba2—N11—C30 | 81.0 (2) |
| N6—Ba1—O4—C10 | 77.7 (2) | N12—Ba2—N11—C30 | 150.2 (3) |
| N5—Ba1—O4—C10 | −71.4 (2) | N10—Ba2—N11—C30 | −66.7 (3) |
| N2—Ba1—O4—C10 | 0.2 (2) | O7—Ba2—N11—C30 | 6.9 (3) |
| N1—Ba1—O4—C10 | 152.8 (2) | O8—Ba2—N11—C30 | −138.1 (2) |
| O11—Ba2—O6—C20 | −114.7 (2) | O6—Ba2—N11—C30 | 9.4 (2) |
| O10—Ba2—O6—C20 | 69.0 (2) | O9—Ba2—N11—C30 | −140.8 (3) |
| N12—Ba2—O6—C20 | 101.5 (2) | N9—Ba2—N11—C30 | 92.8 (3) |
| N10—Ba2—O6—C20 | −58.0 (3) | O11—Ba2—N11—C29 | 72.4 (3) |
| O7—Ba2—O6—C20 | −30.8 (2) | O10—Ba2—N11—C29 | −142.8 (3) |
| O8—Ba2—O6—C20 | −120.7 (3) | N12—Ba2—N11—C29 | −73.6 (3) |
| O9—Ba2—O6—C20 | 178.4 (2) | N10—Ba2—N11—C29 | 69.5 (3) |
| N11—Ba2—O6—C20 | 151.8 (3) | O7—Ba2—N11—C29 | 143.1 (2) |
| N9—Ba2—O6—C20 | 17.1 (3) | O8—Ba2—N11—C29 | −1.9 (3) |
| O11—Ba2—O6—C31 | 117.5 (2) | O6—Ba2—N11—C29 | 145.6 (3) |
| O10—Ba2—O6—C31 | −58.9 (2) | O9—Ba2—N11—C29 | −4.6 (2) |
| N12—Ba2—O6—C31 | −26.4 (3) | N9—Ba2—N11—C29 | −131.0 (2) |
| N10—Ba2—O6—C31 | 174.2 (2) | O11—Ba2—N12—C32 | −83.9 (5) |
| O7—Ba2—O6—C31 | −158.6 (2) | O10—Ba2—N12—C32 | 57.8 (5) |
| O8—Ba2—O6—C31 | 111.5 (3) | N10—Ba2—N12—C32 | −176.4 (5) |
| O9—Ba2—O6—C31 | 50.6 (2) | O7—Ba2—N12—C32 | 107.6 (5) |
| N11—Ba2—O6—C31 | 24.0 (2) | O8—Ba2—N12—C32 | −134.6 (5) |
| N9—Ba2—O6—C31 | −110.7 (2) | O6—Ba2—N12—C32 | 26.0 (5) |
| O11—Ba2—O7—C22 | −63.9 (2) | O9—Ba2—N12—C32 | −74.3 (5) |
| O10—Ba2—O7—C22 | 154.2 (2) | N11—Ba2—N12—C32 | −15.8 (5) |
| N12—Ba2—O7—C22 | 109.1 (2) | N9—Ba2—N12—C32 | 127.8 (5) |
| N10—Ba2—O7—C22 | 8.1 (2) | C12—O1—C1—C2 | −172.1 (3) |
| O8—Ba2—O7—C22 | 5.2 (3) | Ba1—O1—C1—C2 | 52.2 (3) |
| O6—Ba2—O7—C22 | −141.8 (3) | C3—N1—C2—C1 | 176.1 (3) |
| O9—Ba2—O7—C22 | −67.3 (3) | Ba1—N1—C2—C1 | 45.0 (3) |
| N11—Ba2—O7—C22 | −139.3 (2) | O1—C1—C2—N1 | −65.0 (3) |
| N9—Ba2—O7—C22 | 87.9 (2) | C2—N1—C3—C4 | −172.5 (3) |
| O11—Ba2—O7—C21 | 76.0 (2) | Ba1—N1—C3—C4 | −42.2 (3) |
| O10—Ba2—O7—C21 | −66.0 (2) | C5—O2—C4—C3 | 175.2 (3) |
| N12—Ba2—O7—C21 | −111.1 (2) | Ba1—O2—C4—C3 | −49.4 (3) |
| N10—Ba2—O7—C21 | 147.9 (3) | N1—C3—C4—O2 | 59.9 (3) |
| O8—Ba2—O7—C21 | 145.0 (2) | C4—O2—C5—C6 | −165.0 (3) |
| O6—Ba2—O7—C21 | −2.0 (2) | Ba1—O2—C5—C6 | 56.8 (3) |
| O9—Ba2—O7—C21 | 72.5 (3) | C7—O3—C6—C5 | 179.6 (3) |
| N11—Ba2—O7—C21 | 0.5 (3) | Ba1—O3—C6—C5 | 35.4 (3) |
| N9—Ba2—O7—C21 | −132.3 (3) | O2—C5—C6—O3 | −60.2 (3) |
| O11—Ba2—O8—C26 | −72.1 (2) | C6—O3—C7—C8 | 177.4 (3) |
| O10—Ba2—O8—C26 | 99.1 (3) | Ba1—O3—C7—C8 | −38.2 (3) |
| N12—Ba2—O8—C26 | 79.8 (2) | C9—N2—C8—C7 | −178.6 (3) |
| N10—Ba2—O8—C26 | −142.5 (3) | Ba1—N2—C8—C7 | −57.9 (3) |
| O7—Ba2—O8—C26 | −139.5 (2) | O3—C7—C8—N2 | 65.8 (3) |
| O6—Ba2—O8—C26 | −66.2 (3) | C8—N2—C9—C10 | 179.1 (3) |
| O9—Ba2—O8—C26 | 8.3 (2) | Ba1—N2—C9—C10 | 59.4 (3) |
| N11—Ba2—O8—C26 | 5.5 (3) | C11—O4—C10—C9 | 176.9 (3) |
| N9—Ba2—O8—C26 | 153.6 (2) | Ba1—O4—C10—C9 | 28.7 (3) |
| O11—Ba2—O8—C25 | 69.8 (2) | N2—C9—C10—O4 | −59.1 (3) |
| O10—Ba2—O8—C25 | −119.0 (2) | C10—O4—C11—C12 | 174.6 (3) |
| N12—Ba2—O8—C25 | −138.3 (2) | Ba1—O4—C11—C12 | −36.6 (3) |
| N10—Ba2—O8—C25 | −0.6 (2) | C1—O1—C12—C11 | 169.5 (3) |
| O7—Ba2—O8—C25 | 2.4 (3) | Ba1—O1—C12—C11 | −54.2 (3) |
| O6—Ba2—O8—C25 | 75.7 (3) | O4—C11—C12—O1 | 58.7 (3) |
| O9—Ba2—O8—C25 | 150.2 (3) | C31—O6—C20—C21 | −169.0 (3) |
| N11—Ba2—O8—C25 | 147.4 (2) | Ba2—O6—C20—C21 | 61.6 (3) |
| N9—Ba2—O8—C25 | −64.5 (2) | C22—O7—C21—C20 | 176.5 (3) |
| O11—Ba2—O9—C28 | −118.5 (2) | Ba2—O7—C21—C20 | 33.1 (4) |
| O10—Ba2—O9—C28 | 18.0 (3) | O6—C20—C21—O7 | −63.5 (4) |
| N12—Ba2—O9—C28 | 67.5 (2) | C21—O7—C22—C23 | −177.0 (3) |
| N10—Ba2—O9—C28 | −177.1 (2) | Ba2—O7—C22—C23 | −35.1 (4) |
| O7—Ba2—O9—C28 | −115.0 (3) | C24—N10—C23—C22 | 179.7 (3) |
| O8—Ba2—O9—C28 | 156.3 (3) | Ba2—N10—C23—C22 | −48.9 (3) |
| O6—Ba2—O9—C28 | −53.7 (2) | O7—C22—C23—N10 | 54.6 (4) |
| N11—Ba2—O9—C28 | −26.7 (2) | C23—N10—C24—C25 | −167.2 (3) |
| N9—Ba2—O9—C28 | 99.7 (2) | Ba2—N10—C24—C25 | 59.7 (3) |
| O11—Ba2—O9—C27 | 109.4 (2) | C26—O8—C25—C24 | 174.7 (3) |
| O10—Ba2—O9—C27 | −114.1 (2) | Ba2—O8—C25—C24 | 29.8 (4) |
| N12—Ba2—O9—C27 | −64.6 (2) | N10—C24—C25—O8 | −59.4 (4) |
| N10—Ba2—O9—C27 | 50.8 (2) | C25—O8—C26—C27 | 177.6 (3) |
| O7—Ba2—O9—C27 | 112.9 (3) | Ba2—O8—C26—C27 | −38.4 (4) |
| O8—Ba2—O9—C27 | 24.1 (2) | C28—O9—C27—C26 | 172.1 (3) |
| O6—Ba2—O9—C27 | 174.2 (2) | Ba2—O9—C27—C26 | −54.8 (3) |
| N11—Ba2—O9—C27 | −158.8 (3) | O8—C26—C27—O9 | 61.8 (4) |
| N9—Ba2—O9—C27 | −32.4 (3) | C27—O9—C28—C29 | −173.7 (3) |
| O5—Ba1—N1—C3 | 103.9 (2) | Ba2—O9—C28—C29 | 54.6 (3) |
| O3—Ba1—N1—C3 | 11.0 (2) | C30—N11—C29—C28 | 171.3 (3) |
| O2—Ba1—N1—C3 | 12.63 (19) | Ba2—N11—C29—C28 | 33.6 (4) |
| O4—Ba1—N1—C3 | −143.73 (19) | O9—C28—C29—N11 | −58.0 (4) |
| O1—Ba1—N1—C3 | −143.6 (2) | C29—N11—C30—C31 | −179.9 (3) |
| N6—Ba1—N1—C3 | −63.3 (2) | Ba2—N11—C30—C31 | −40.9 (4) |
| N5—Ba1—N1—C3 | 109.9 (2) | C20—O6—C31—C30 | 177.6 (3) |
| N2—Ba1—N1—C3 | −69.0 (3) | Ba2—O6—C31—C30 | −54.6 (4) |
| O5—Ba1—N1—C2 | −125.7 (2) | N11—C30—C31—O6 | 63.8 (4) |
| H··· | ||||
| O5—H5C···N4i | 0.84 (3) | 2.19 (2) | 2.997 (4) | 161 (4) |
| O5—H5D···N3iii | 0.84 (3) | 1.98 (3) | 2.804 (4) | 168 (3) |
| O10—H10C···N8iv | 0.83 (4) | 2.09 (3) | 2.916 (3) | 170 (3) |
| O10—H10D···N6 | 0.84 (4) | 2.35 (2) | 3.132 (3) | 156 (3) |
| O11—H11C···N4ii | 0.84 (4) | 2.01 (3) | 2.845 (4) | 177 (3) |
| O11—H11D···N7v | 0.84 (3) | 2.09 (3) | 2.920 (4) | 176 (4) |
| Ba1—N1 | 2.959 (2) |
| Ba1—N2 | 2.919 (2) |
| Ba1—N5 | 2.889 (3) |
| Ba1—N6 | 2.877 (3) |
| Ba1—O1 | 2.854 (2) |
| Ba1—O2 | 2.827 (2) |
| Ba1—O3 | 2.802 (2) |
| Ba1—O4 | 2.850 (2) |
| Ba1—O5 | 2.764 (2) |
| Ba2—N9 | 2.939 (3) |
| Ba2—N10 | 2.867 (3) |
| Ba2—N11 | 2.929 (3) |
| Ba2—N12 | 2.867 (3) |
| Ba2—O6 | 2.888 (2) |
| Ba2—O7 | 2.884 (2) |
| Ba2—O8 | 2.888 (2) |
| Ba2—O9 | 2.929 (2) |
| Ba2—O10 | 2.859 (2) |
| Ba2—O11 | 2.761 (2) |
| Au1—Au2 | 3.5655 (2) |
| Au1—C13 | 1.978 (3) |
| Au1—C14 | 1.991 (3) |
| Au2—C15 | 1.986 (3) |
| Au3—C16 | 1.985 (3) |
| Au3—C17 | 1.990 (3) |
| Au3—Au4 | 3.2670 (2) |
| Au4—C18 | 1.988 (3) |
| Au4—C19 | 1.989 (3) |
| Au5—C32 | 1.985 (3) |
| C13—Au1—C14 | 177.12 (14) |
| C16—Au3—C17 | 177.40 (13) |
| C18—Au4—C19 | 176.60 (12) |
| C14—Au1—Au2—C15 | 53.73 (13) |
| C13—Au1—Au2—C15 | −127.71 (13) |
| C14—Au1—Au2—C15i | −126.27 (13) |
| C13—Au1—Au2—C15i | 52.29 (13) |
| C16—Au3—Au4—C18 | −125.59 (12) |
| C17—Au3—Au4—C18 | 54.37 (13) |
| C16—Au3—Au4—C19 | 55.81 (12) |
| C17—Au3—Au4—C19 | −124.22 (13) |
Symmetry code: (i) .
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O5—H5 | 0.84 (3) | 2.19 (2) | 2.997 (4) | 161 (4) |
| O5—H5 | 0.84 (3) | 1.98 (3) | 2.804 (4) | 168 (3) |
| O10—H10 | 0.83 (4) | 2.09 (3) | 2.916 (3) | 170 (3) |
| O10—H10 | 0.84 (4) | 2.35 (2) | 3.132 (3) | 156 (3) |
| O11—H11 | 0.84 (4) | 2.01 (3) | 2.845 (4) | 177 (3) |
| O11—H11 | 0.84 (3) | 2.09 (3) | 2.920 (4) | 176 (4) |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) .