Information card for entry 2005705

Structure parameters

• Chemical name: [1(1,2,3,3a,6a-η)-1,4-dihydropentalenyl]-μ-[1(1,2,3,3a,6a-η): 2(3a,4,5,6,6a-η)]pentalene-[2(η^5^)-1,2,3,4,5-pentamethylcyclopentadienyl]- cobaltiron
• Formula: C26 H28 Co Fe
• Calculated formula: C26 H28 Co Fe
• Title of publication: Triple-Decker Pentalene Complex of Iron and Cobalt
• Authors of publication: Miravitlles, C.; Molins, E.; Maniukiewicz, W.; Mas, M.; Manríquez, J. M.; Chávez, I.; Oelckers, B.; Alvarez-Larena, A.; Briansó, J. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3047 - 3049
• a: 10.745 ± 0.001 Å
• b: 13.546 ± 0.002 Å
• c: 14.3 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2081.4 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.0644
• Goodness-of-fit parameter for all reflections: 0.978
• Goodness-of-fit parameter for significantly intense reflections: 1.116
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No