Information card for entry 4080278

Structure parameters

• Formula: C71 H104 Lu2 O2 P4 Ru2
• Calculated formula: C71 H104 Lu2 O2 P4 Ru2
• SMILES: C1[P]2(C)CC[P](C)(C)[Ru]345672[C]28([CH]4=[CH]5[CH]6=[CH]32)[Lu]217([C]134[CH]5=[CH]6[CH]7=[CH]1[Ru]193567[P](C[Lu]9248Oc2c(C(C)(C)C)cccc2C(C)(C)C)(C)CC[P]1(C)C)Oc1c(cccc1C(C)(C)C)C(C)(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Heterometallic Hydride Complexes of Rare-Earth Metals and Ruthenium through C‒H Bond Activation
• Authors of publication: Sobaczynski, Adam P.; Bauer, Tobias; Kempe, Rhett
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1363
• a: 15.093 ± 0.0007 Å
• b: 15.523 ± 0.0008 Å
• c: 18.388 ± 0.0008 Å
• α: 97.095 ± 0.004°
• β: 112.04 ± 0.003°
• γ: 110.461 ± 0.004°
• Cell volume: 3576.8 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.742
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No