Information card for entry 4080276

Structure parameters

• Formula: C35 H41 P2 Ru Y
• Calculated formula: C35 H41 P2 Ru Y
• SMILES: [cH]12[cH]3[cH]4[c]56[cH]1[RuH]12346([P](CC[P]1(C)C)(C)C)[Y]12346789(C(=C5c5ccccc5)c5ccccc5)([cH]5[cH]1[cH]2[cH]3[cH]45)[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: 12.416 ± 0.0005 Å
• b: 12.516 ± 0.0005 Å
• c: 13.756 ± 0.0005 Å
• α: 103.685 ± 0.003°
• β: 113.818 ± 0.003°
• γ: 105.65 ± 0.003°
• Cell volume: 1732.21 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.797
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No