Information card for entry 2219975

Structure parameters

• Chemical name: (η^5^-Cyclopentadienyl)[η^6^-diethyl ethyl(phenyl)malonate]iron(II) hexafluoridophosphate
• Formula: C20 H25 F6 Fe O4 P
• Calculated formula: C20 H25 F6 Fe O4 P
• Title of publication: (η^5^-Cyclopentadienyl)[η^6^-diethyl ethyl(phenyl)malonate]iron(II) hexafluoridophosphate
• Authors of publication: Jenkins, Hilary A.; Masuda, Jason D.; Piórko, Adam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1360
• a: 10.1075 ± 0.0005 Å
• b: 10.6731 ± 0.0005 Å
• c: 11.4797 ± 0.0006 Å
• α: 100.396 ± 0.001°
• β: 111.854 ± 0.001°
• γ: 99.1 ± 0.001°
• Cell volume: 1095.56 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.039
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes