Information card for entry 4107225

Structure parameters

• Chemical name: YbCp3
• Formula: C15 H15 Yb
• Calculated formula: C15 H15 Yb
• SMILES: [Yb]123456789%10%11%12([cH]%13[cH]1[cH]2[cH]3[cH]4%13)([cH]1[cH]5[cH]6[cH]7[cH]81)[cH]1[cH]9[cH]%10[cH]%11[cH]%121
• Title of publication: Covalency in the 4f Shell oftris-Cyclopentadienyl Ytterbium (YbCp3)-A Spectroscopic Evaluation
• Authors of publication: Robert G. Denning; Jeffrey Harmer; Jennifer C. Green; Mark Irwin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 20644 - 20660
• a: 7.9043 ± 0.0001 Å
• b: 8.2106 ± 0.0001 Å
• c: 17.9939 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1167.79 ± 0.02 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No