Information card for entry 4330865

Structure parameters

• Formula: C5 H11 Cl3 Ga N
• Calculated formula: C5 H11 Cl3 Ga N
• SMILES: [Ga](Cl)(Cl)(Cl)[NH]1CCCCC1
• 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: 6.6198 ± 0.0003 Å
• b: 8.4213 ± 0.0004 Å
• c: 9.3591 ± 0.0004 Å
• α: 85.322 ± 0.004°
• β: 81.826 ± 0.004°
• γ: 79.284 ± 0.004°
• Cell volume: 506.62 ± 0.04 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.029
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No