Information card for entry 4081547

Structure parameters

• Formula: C22 H28 Fe
• Calculated formula: C22 H28 Fe
• Title of publication: Half-Open Ferrocenes and Ruthenocenes Containing an Edge-Bridged Open Indenyl Ligand
• Authors of publication: Volbeda, Jeroen; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 5918
• a: 8.1835 ± 0.0004 Å
• b: 24.1385 ± 0.0012 Å
• c: 9.9365 ± 0.0006 Å
• α: 90°
• β: 112.222 ± 0.006°
• γ: 90°
• Cell volume: 1817.04 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No