Information card for entry 7033933

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: 5.9142 ± 0.0009 Å
• b: 7.8676 ± 0.0011 Å
• c: 9.1622 ± 0.0013 Å
• α: 90°
• β: 91.895 ± 0.003°
• γ: 90°
• Cell volume: 426.09 ± 0.11 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: 0.0299
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No