Information card for entry 4133980

Structure parameters

• Chemical name: Bis(cyclopentadienyl)ruthenium(II)
• Formula: C10 H10 Ru
• Calculated formula: C10 H10 Ru
• SMILES: [cH]12[cH]3[cH]4[Ru]5678913([cH]1[cH]5[cH]9[cH]8[cH]71)[cH]2[cH]46
• Title of publication: Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene.
• Authors of publication: Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 4
• Pages of publication: 1731 - 1734
• a: 7.0229 ± 0.0001 Å
• b: 8.8503 ± 0.0002 Å
• c: 12.7614 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 793.18 ± 0.02 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No