Information card for entry 1508082

Structure parameters

• Common name: compound4
• Chemical name: bis[(di-η5-cyclopentadienyl-ruthenyl)(η5-cyclopentadienyl-η5-μ3-cyclopentadiendiyl-ruthenyl)(tetrahydrofuran)lanthanum]
• Formula: C55 H62 La2 O2 Re4
• Calculated formula: C55 H62 La2 O2 Re4
• SMILES: [C]123([CH]4=[CH]5[CH]6=[CH]1[Re]17893456[cH]3[cH]1[cH]7[cH]8[cH]93)[La]([C]13([CH]4=[CH]5[CH]6=[CH]1[Re]17893456[cH]3[cH]9[cH]8[cH]7[cH]13)[La]2[O]1CCCC1)[O]1CCCC1.[cH]12[cH]3[cH]4[cH]5[cH]1[Re]16782345[cH]2[cH]8[cH]7[cH]6[cH]12.[cH]12[cH]3[cH]4[cH]5[cH]1[Re]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.c1(C)ccccc1
• 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: 12.242 ± 0.0006 Å
• b: 21.612 ± 0.0011 Å
• c: 17.762 ± 0.0009 Å
• α: 90°
• β: 94.794 ± 0.004°
• γ: 90°
• Cell volume: 4682.9 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.078
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No