Information card for entry 7022189

Structure parameters

• Formula: C20 H33 Al Cl Fe N3 O2
• Calculated formula: C20 H33 Al Cl Fe N3 O2
• SMILES: [Fe]1234([Al]5(Cl)[N](=C(N5C(C)C)N(C(C)C)C(C)C)C(C)C)([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: 8.7289 ± 0.0001 Å
• b: 15.484 ± 0.0002 Å
• c: 17.7812 ± 0.0003 Å
• α: 92.0036 ± 0.0007°
• β: 92.5025 ± 0.0007°
• γ: 100.719 ± 0.0006°
• Cell volume: 2356.82 ± 0.06 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: 0.0924
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections: 0.2072
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No