Information card for entry 1552211

Structure parameters

• Formula: C92 H122 Al4 N8 Pd4
• Calculated formula: C92 H122 Al4 N8 Pd4
• SMILES: C1(=CC(C)=[N]([Al]23([H][Pd]4562[H][Al]25([N](=C(C=C(C)N2c2c(cc(cc2C)C)C)C)c2c(cc(cc2C)C)C)[Pd]256[Pd]634[Al]34([N](=C(C=C(N3c3c(cc(cc3C)C)C)C)C)c3c(cc(cc3C)C)C)[H][Pd]3564[H][Al]423[N](=C(C=C(C)N4c2c(cc(cc2C)C)C)C)c2c(cc(cc2C)C)C)N1c1c(C)cc(cc1C)C)c1c(cc(cc1C)C)C)C
• Title of publication: The Partial Dehydrogenation of Aluminium Dihydrides
• Authors of publication: Hooper, Thomas; Lau, Samantha; Chen, Wenyi; Brown, Ryan; Garçon, Martí; Luong, Karen; Barrow, Nathan; Tatton, Andrew; Sackman, George A.; Richardson, Christopher; White, Andrew J. P.; Cooper, Richard Ian; Edwards, Alison; Casely, Ian; Crimmin, Mark Richard
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.1911 ± 0.0005 Å
• b: 13.8827 ± 0.0007 Å
• c: 15.1624 ± 0.0006 Å
• α: 106.195 ± 0.004°
• β: 102.711 ± 0.003°
• γ: 103.796 ± 0.004°
• Cell volume: 2277.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 0.14 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: 0.0558
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No