Information card for entry 2005627

Structure parameters

• Formula: C4 Fe O10 P4
• Calculated formula: C4 Fe O10 P4
• SMILES: [Fe]([P]12OP3OP(O1)OP(O2)O3)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Tetracarbonyl(tetraphosphorus hexaoxide)iron
• Authors of publication: Jansen, M.; Clade, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2650 - 2652
• a: 9.264 ± 0.005 Å
• b: 12.768 ± 0.006 Å
• c: 10.177 ± 0.005 Å
• α: 90°
• β: 94.19 ± 0.02°
• γ: 90°
• Cell volume: 1200.5 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.0922
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No