Information card for entry 2005534

Structure parameters

• Common name: Dihydrodipentalenyliron
• Chemical name: Dihydrodipentalenyliron
• Formula: C16 H14 Fe
• Calculated formula: C14.925 H13.058 Fe
• Title of publication: Bis(η^5^-hydropentalenyl)iron
• Authors of publication: Molins, E.; Maniukiewicz, W.; Miravitlles, C.; Mas, M.; Manriquez, J. M.; Chávez, I.; Oelckers, B.; Farran, J.; Briansó, J. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2414 - 2416
• a: 6.08 ± 0.002 Å
• b: 13.552 ± 0.004 Å
• c: 13.882 ± 0.007 Å
• α: 90°
• β: 96.62 ± 0.02°
• γ: 90°
• Cell volume: 1136.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0498
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for all reflections: 0.968
• Goodness-of-fit parameter for significantly intense reflections: 1.005
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No