Information card for entry 4107265

Structure parameters

• Common name: 11201
• Formula: C78 H120 Al2 Fe2 N10 P6
• Calculated formula: C78 H120 Al2 Fe2 N10 P6
• SMILES: c12ccccc1N1C[P](C(C)C)(C(C)C)[Fe]34([N]#[N][Fe]567[P](CN8c9c(cccc9)[N]9%10c%11ccccc%11N(C[P]5(C(C)C)C(C)C)[Al]789N(c5c%10cccc5)C[P]6(C(C)C)C(C)C)(C(C)C)C(C)C)[Al]561[N]2(c1ccccc1N5C[P]3(C(C)C)C(C)C)c1ccccc1N6C[P]4(C(C)C)C(C)C
• 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: 15.5732 ± 0.0019 Å
• b: 15.5732 ± 0.0019 Å
• c: 25.258 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5305 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No