Information card for entry 7129848

Structure parameters

• Formula: C30 H47 Al Ni
• Calculated formula: C30 H47 Al Ni
• SMILES: [Ni]1234567([Al]89%10%11%12([c]%13([c]%11([c]%10([c]9([c]8%13C)C)C)C)C)[C]4(=[C]5([C]6(=[C]7%12CC)CC)CC)CC)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: A combinatorial coordination-modulated approach to all-hydrocarbon-ligated intermetallic clusters
• Authors of publication: Heiß, Patricia; Hornung, Julius; Gemel, Christian; Fischer, Roland A.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 17.885 ± 0.003 Å
• b: 9.582 ± 0.0015 Å
• c: 17.095 ± 0.002 Å
• α: 90°
• β: 115.958 ± 0.005°
• γ: 90°
• Cell volume: 2634.1 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No