Information card for entry 7033935

Structure parameters

• Formula: C10 H10 Ni
• Calculated formula: C10 H10 Ni
• 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: 5.8966 ± 0.0019 Å
• b: 7.859 ± 0.002 Å
• c: 9.135 ± 0.003 Å
• α: 90°
• β: 91.841 ± 0.006°
• γ: 90°
• Cell volume: 423.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0621
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No