Information card for entry 4108683

Structure parameters

• Chemical name: Bis(permethylpentalene)dimanganese(II)
• Formula: C28 H36 Mn2
• Calculated formula: C28 H36 Mn2
• SMILES: [c]12([c]3(C)[Mn]456789%10%111[c]1([c]%12%138[c]8([c]%14(C)[Mn]%15%16%17%18%19%11%138([c]837[c]%15([c]%16([c]%17([c]9%188[c]26C)C)C)C)[c]%10%12([c]%14%19C)[c]5([c]41C)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: 9.6431 ± 0.0003 Å
• b: 12.3057 ± 0.0003 Å
• c: 10.2368 ± 0.0003 Å
• α: 90°
• β: 108.242 ± 0.0018°
• γ: 90°
• Cell volume: 1153.7 ± 0.06 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: 0.0356
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No