Information card for entry 7115675

Structure parameters

• Formula: C48 H52 Au2 O2 P2 S4 Sn2
• Calculated formula: C48 H52 Au2 O2 P2 S4 Sn2
• SMILES: C(C)(CC(=O)C)(C)[Sn]1(S[Sn](C(C)(C)CC(=O)C)(S1)S[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)S[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bronze, silver and gold: functionalized group 11 organotin sulfide clusters
• Authors of publication: Jens P. Eussner; Stefanie Dehnen
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11385
• a: 14.5079 ± 0.0006 Å
• b: 12.1592 ± 0.0005 Å
• c: 15.0025 ± 0.0006 Å
• α: 90°
• β: 103.39 ± 0.003°
• γ: 90°
• Cell volume: 2574.57 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0719
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No