Information card for entry 4080275

Structure parameters

• Formula: C21 H31 P2 Ru Y
• Calculated formula: C21 H31 P2 Ru Y
• SMILES: [cH]12[c]34[cH]5[cH]6[cH]1[RuH]12456([P](CC[P]1(C)C)(C)C)[Y]124567893([cH]3[cH]5[cH]4[cH]2[cH]13)[cH]1[cH]6[cH]7[cH]8[cH]91
• 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: 15.228 ± 0.0006 Å
• b: 7.309 ± 0.0003 Å
• c: 19.623 ± 0.0008 Å
• α: 90°
• β: 96.902 ± 0.003°
• γ: 90°
• Cell volume: 2168.24 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No