Information card for entry 7022194

Structure parameters

• Formula: C27 H44 Al Fe N3 O2
• Calculated formula: C27 H44 Al Fe N3 O2
• SMILES: [Fe]1234([Al]5([N](=C(N5C5CCCCC5)N(C(C)C)C(C)C)C5CCCCC5)C)(C#[O])([cH]5[cH]4[cH]3[cH]2[cH]15)C#[O]
• 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: 9.9141 ± 0.0001 Å
• b: 11.3263 ± 0.0002 Å
• c: 12.855 ± 0.0002 Å
• α: 81.6863 ± 0.0007°
• β: 83.7688 ± 0.0007°
• γ: 82.6593 ± 0.0007°
• Cell volume: 1410.63 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.1478
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No