Information card for entry 4323399

Structure parameters

• Chemical name: Bis(tetramethylpiperidino)alanyl-cyclopentadienyl-dicarbonyl-iron
• Formula: C25 H41 Al Fe N2 O2
• Calculated formula: C25 H41 Al Fe N2 O2
• SMILES: [Fe]1234([Al](N5C(CCCC5(C)C)(C)C)N5C(CCCC5(C)C)(C)C)([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O]
• Title of publication: Synthesis and X-ray Crystal Structure of (tmp)2Al-Fe(cp)(CO)2: An Alanyl-Containing Iron Complex with a Tricoordinated Aluminum Atom
• Authors of publication: B. N. Anand; Ingo Krossing; Heinrich Nöth
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 1979 - 1981
• a: 8.347 ± 0.004 Å
• b: 10.044 ± 0.005 Å
• c: 15.087 ± 0.008 Å
• α: 94.015 ± 0.012°
• β: 91.184 ± 0.008°
• γ: 102.496 ± 0.013°
• Cell volume: 1231 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0516
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.1579
• Weighted residual factors for significantly intense reflections: 0.1281
• Goodness-of-fit parameter for all reflections: 1.179
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No