Information card for entry 4313976

Structure parameters

• Chemical name: compound 10
• Formula: C27 H24 Al N
• Calculated formula: C27 H24 Al N
• SMILES: [Al]([N](C)(C)C)(C#Cc1ccccc1)(C#Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Neutral and Ionic Aluminum, Gallium, and Indium Compounds Carrying Two or Three Terminal Ethynyl Groups
• Authors of publication: Marcus Schiefer; N. Dastagiri Reddy; Hans-Jürgen Ahn; Andreas Stasch; Herbert W. Roesky; A. Christine Schlicker; Hans-Georg Schmidt; Mathias Noltemeyer; Denis Vidovic
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4970 - 4976
• a: 13.905 ± 0.004 Å
• b: 11.914 ± 0.003 Å
• c: 13.999 ± 0.005 Å
• α: 90°
• β: 94.16 ± 0.04°
• γ: 90°
• Cell volume: 2313 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2373
• Weighted residual factors for all reflections included in the refinement: 0.2802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No