Information card for entry 4330868

Structure parameters

• Formula: C18 H15 Al Cl3 P
• Calculated formula: C18 H15 Al Cl3 P
• SMILES: Cl[Al](Cl)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Do Solid-State Structures Reflect Lewis Acidity Trends of Heavier Group 13 Trihalides? Experimental and Theoretical Case Study
• Authors of publication: Alexey Y. Timoshkin; Michael Bodensteiner; Tatiana N. Sevastianova; Anna S. Lisovenko; Elena I. Davydova; Manfred Scheer; Christian Graßl; Alina V. Butlak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11602 - 11611
• a: 9.448 ± 0.005 Å
• b: 10.079 ± 0.005 Å
• c: 10.315 ± 0.005 Å
• α: 105.49 ± 0.005°
• β: 92.127 ± 0.005°
• γ: 95.719 ± 0.005°
• Cell volume: 939.8 ± 0.8 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No