Information card for entry 4510563

Structure parameters

• Common name: Hexaphenyldisilane
• Chemical name: Hexaphenyldisilane
• Formula: C36 H30 Si2
• Calculated formula: C36 H30 Si2
• SMILES: [Si](c1ccccc1)(c1ccccc1)(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Determination of the Crystal Structure of Hexaphenyldisilane from Powder Diffraction Data and Its Thermodynamic Properties
• Authors of publication: Bernert, Thomas; Winkler, Björn; Krysiak, Yasar; Fink, Lothar; Berger, Matthias; Alig, Edith; Bayarjargal, Lkhamsuren; Milman, Victor; Ehm, Lars; Stephens, Peter W.; Auner, Norbert; Lerner, Hans-Wolfram
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2937
• a: 20.2889 ± 0.0008 Å
• b: 16.9602 ± 0.0007 Å
• c: 8.5506 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2942.3 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor R(I) for significantly intense reflections: 1.505
• Goodness-of-fit parameter for all reflections: 2.233
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No