Information card for entry 7022188

Structure parameters

• Formula: C26 H41 Al Cl Fe N3 O2
• Calculated formula: C26 H41 Al Cl Fe N3 O2
• SMILES: [Fe]1234([Al]5(Cl)[N](=C(N5C5CCCCC5)N(C(C)C)C(C)C)C5CCCCC5)([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])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: 9.8974 ± 0.0006 Å
• b: 11.2803 ± 0.0006 Å
• c: 12.8172 ± 0.0008 Å
• α: 81.952 ± 0.003°
• β: 83.391 ± 0.003°
• γ: 82.656 ± 0.002°
• Cell volume: 1398.37 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No