Information card for entry 1568123

Structure parameters

• Formula: C11 H17 Al N Na O
• Calculated formula: C11 H17 Al N Na O
• Title of publication: Alkali metal⋯methyl short contacts in aluminates: more than agostic interactions.
• Authors of publication: Damián, Jesús; Rentero, Christian; Echeverría, Jorge; Mosquera, Marta E. G.
• Journal of publication: Faraday discussions
• Year of publication: 2023
• Journal volume: 244
• Journal issue: 0
• Pages of publication: 294 - 305
• a: 9.5855 ± 0.0004 Å
• b: 11.0763 ± 0.0005 Å
• c: 13.1896 ± 0.0007 Å
• α: 90°
• β: 99.386 ± 0.004°
• γ: 90°
• Cell volume: 1381.62 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No