Information card for entry 4088904

Structure parameters

• Formula: C50 H70 Co Yb2
• Calculated formula: C50 H70 Co Yb2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Yb]16782345[c]2([c]1(C)[c]6([c]7([c]82C)C)C)C)C)C)C)C.[cH]12[cH]3[cH]4[cH]5[cH]1[Co]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.[Yb]12345678([c]9([c]1([c]4([c]3([c]29C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Synthesis and Physical Properties of Pentamethylmanganocene, (C5Me5)Mn(C5H5), and the Inclusion Compounds [(C5Me5)2Yb]2[(C5H5)2M] (Where M = V, Cr, Fe, Co)
• Authors of publication: Walter, Marc D.; Burns, Carol J.; Matsunaga, Phillip T.; Smith, Michael E.; Andersen, Richard A.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 20
• Pages of publication: 3488
• a: 21.286 ± 0.002 Å
• b: 21.286 ± 0.002 Å
• c: 19.703 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8927.3 ± 1.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No