Information card for entry 2209112

Structure parameters

• Chemical name: Tetracarbonyl(tricyclohexylphosphine)iron(0)
• Formula: C22 H33 Fe O4 P
• Calculated formula: C22 H33 Fe O4 P
• SMILES: [Fe]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Tetracarbonyl(tricyclohexylphosphine)iron(0)
• Authors of publication: Imhof, Wolfgang; Berger, Daniel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1376 - m1377
• a: 13.8477 ± 0.0006 Å
• b: 9.9505 ± 0.0004 Å
• c: 17.033 ± 0.0003 Å
• α: 90°
• β: 94.432 ± 0.003°
• γ: 90°
• Cell volume: 2339.99 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes