Information card for entry 7022192

Structure parameters

• Formula: C38 H53 Al Fe I N3 O2
• Calculated formula: C38 H53 Al Fe I N3 O2
• SMILES: I[Al]1([Fe]2345(C#[O])([cH]6[cH]2[cH]3[cH]4[cH]56)C#[O])[N](=C(N1c1c(C(C)C)cccc1C(C)C)N(C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Salt metathesis for the synthesis of M-Al and M-H-Al bonds.
• Authors of publication: Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 249 - 258
• a: 18.7565 ± 0.0001 Å
• b: 19.8266 ± 0.0001 Å
• c: 20.3582 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7570.76 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9418
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No