Information card for entry 7033936

Structure parameters

• Formula: C10 H10 Ru
• Calculated formula: C10 H10 Ru
• SMILES: [cH]12[cH]3[cH]4[Ru]5678913([cH]1[cH]5[cH]6[cH]9[cH]81)[cH]2[cH]47
• Title of publication: Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.
• Authors of publication: Miyamoto, Yasuhiro; Takamizawa, Satoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5688 - 5691
• a: 7.1076 ± 0.0012 Å
• b: 8.9737 ± 0.0016 Å
• c: 12.782 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 815.3 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 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: 0.0206
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No