Information card for entry 4108684

Structure parameters

• Chemical name: Bis(permethylpentalene)dicobalt(II)
• Formula: C28 H36 Co2
• Calculated formula: C28 H36 Co2
• SMILES: [c]12([c]34[Co]56789%102[c]1([c]5([c]38[c]1([c]2([c]4(C)[Co]3458%1012[c]1([c]28[c]5([c]4([c]31C)C)[c]6([c]7(C)[c]92C)C)C)C)C)C)C)C
• Title of publication: Homoleptic Permethylpentalene Complexes: "Double Metallocenes" of the First-Row Transition Metals
• Authors of publication: Andrew E. Ashley; Robert T. Cooper; Gregory G. Wildgoose; Jennifer C. Green; Dermot O'Hare
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15662 - 15677
• a: 9.5576 ± 0.0001 Å
• b: 12.4752 ± 0.0002 Å
• c: 10.144 ± 0.0002 Å
• α: 90°
• β: 110.348 ± 0.001°
• γ: 90°
• Cell volume: 1134.02 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for all reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9695
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No