Information card for entry 7007859

Structure parameters

• Formula: C24 H36 Al Cl Fe N2 O2
• Calculated formula: C24 H36 Al Cl Fe N2 O2
• SMILES: [Fe]1234([Al]5(Cl)[N](=C(N5C5CCCCC5)C(C)(C)C)C5CCCCC5)([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O]
• Title of publication: Synthesis and characterisation of complexes of Group 13 metal amidinate heterocycles with the CpFe(CO)2 fragment.
• Authors of publication: Jones, Cameron; Aldridge, Simon; Gans-Eichler, Timo; Stasch, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 45
• Pages of publication: 5357 - 5361
• a: 8.7688 ± 0.0018 Å
• b: 15.849 ± 0.003 Å
• c: 17.55 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2439 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No