Information card for entry 1557465

Structure parameters

• Formula: C32 H20
• Calculated formula: C32 H20
• SMILES: C(=C=C(C#Cc1ccccc1)c1ccccc1)=C(C#Cc1ccccc1)c1ccccc1
• Title of publication: Unravelling the formation mechanism of alkynyl protected gold clusters: a case study of phenylacetylene stabilized Au₁₄₄ molecules.
• Authors of publication: Ma, Xiaoshuang; Tang, Zhenghua; Qin, Lubing; Peng, Jin; Li, Ligui; Chen, Shaowei
• Journal of publication: Nanoscale
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2980 - 2986
• a: 6.1391 ± 0.0001 Å
• b: 15.1547 ± 0.0002 Å
• c: 11.9272 ± 0.0002 Å
• α: 90°
• β: 94.63 ± 0.001°
• γ: 90°
• Cell volume: 1106.04 ± 0.03 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 2
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No