Information card for entry 7000491

Structure parameters

• Formula: C31 H37 Au Cl2 Cu N6 S
• Calculated formula: C30 H35 Au Cu N6 S
• SMILES: [Au](#C[N][Cu]12(N=C=S)[n]3ccc(cc3c3[n]1c(cc(c3)C(C)(C)C)c1[n]2ccc(c1)C(C)(C)C)C(C)(C)C)C#N
• Title of publication: Tris(t-butyl)terpyridine-copper(II) complexes and ligand field effects
• Authors of publication: Allenbaugh, Rachel J.; Rheingold, Arnold L.; Doerrer, Linda H.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 7
• Pages of publication: 1155 - 1163
• a: 13.664 ± 0.003 Å
• b: 21.058 ± 0.005 Å
• c: 13.003 ± 0.003 Å
• α: 90°
• β: 107.271 ± 0.002°
• γ: 90°
• Cell volume: 3572.7 ± 1.4 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No