Information card for entry 1508081

Structure parameters

• Common name: compound3
• Chemical name: tris(di-η5-cyclopentadienyl-ruthenyl)lanthanum
• Formula: C30 H30 La Re3
• Calculated formula: C30 H30 La Re3
• SMILES: [cH]12[cH]3[Re]4567892([cH]1[cH]4[cH]35)([cH]1[cH]6[cH]7[cH]8[cH]91)[La]([Re]12345678([cH]9[cH]8[cH]1[cH]6[cH]79)[cH]1[cH]5[cH]4[cH]3[cH]21)[Re]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Molecules containing rare-earth atoms solely bonded by transition metals.
• Authors of publication: Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 741 - 744
• a: 41.647 ± 0.0014 Å
• b: 41.647 ± 0.0014 Å
• c: 7.612 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11434 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No