Information card for entry 4070676

Structure parameters

• Formula: C12 H12 Co
• Calculated formula: C12 H12 Co
• Title of publication: Synthesis and Structures of Strained, Neutral [d7] and Cationic [d6] Hydrocarbon-Bridged [n]Cobaltocenophanes (n= 2, 3)
• Authors of publication: Mayer, Ulrich F. J.; Charmant, Jonathan P. H.; Rae, James; Manners, Ian
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1524
• a: 24.747 ± 0.004 Å
• b: 24.747 ± 0.004 Å
• c: 7.4616 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3957.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No