Information card for entry 4107262

Structure parameters

• Common name: 11028
• Formula: C47 H72 Al N8 P3
• Calculated formula: C47 H72 Al N8 P3
• SMILES: c12ccccc2N([Al]23([N]1(c1c(cccc1)N2CP(C(C)C)C(C)C)c1ccccc1N3CP(C(C)C)C(C)C)[N]#CC)CP(C(C)C)C(C)C.N#CC.N#CC.N#CC
• Title of publication: Metal-Alane Adducts with Zero-Valent Nickel, Cobalt, and Iron
• Authors of publication: P. Alex Rudd; Shengsi Liu; Laura Gagliardi; Victor G. Young; Connie C. Lu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 20724 - 20727
• a: 18.378 ± 0.003 Å
• b: 18.378 ± 0.003 Å
• c: 27.486 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8040 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No