Information card for entry 7039936

Structure parameters

• Formula: C34 H36 Au P
• Calculated formula: C34 H36 Au P
• SMILES: [Au](C#Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A homoleptic, all-alkynyl-stabilized highly luminescent Au8Ag8 cluster with a single crystal X-ray structure.
• Authors of publication: Zhang, Rui; Zhao, Chongyang; Li, Xiumin; Zhang, Zongyao; Ai, Xicheng; Chen, Hui; Cao, Rui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12772 - 12778
• a: 9.2356 ± 0.0006 Å
• b: 12.7366 ± 0.0008 Å
• c: 28.0258 ± 0.0019 Å
• α: 80.454 ± 0.002°
• β: 83.007 ± 0.002°
• γ: 69.185 ± 0.002°
• Cell volume: 3031.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No