Information card for entry 4108682

Structure parameters

• Chemical name: Bis(permethylpentalene)dichromium(II)
• Formula: C28 H36 Cr2
• Calculated formula: C28 H36 Cr2
• SMILES: [c]12([c]345[c]678[c]9([c]%10([c]3(C)[Cr]3%11%12%13%14589%10[c]5([c]3([c]%11([c]38%12[c]9%135[c]5([c]%10([c]3(C)[Cr]3247%14895%10[c]1([c]63C)C)C)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: 9.633 ± 0.0002 Å
• b: 12.2559 ± 0.0003 Å
• c: 10.2796 ± 0.0003 Å
• α: 90°
• β: 108.013 ± 0.0015°
• γ: 90°
• Cell volume: 1154.14 ± 0.05 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: 0.0514
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No