Information card for entry 4080119

Structure parameters

• Formula: C70 H97 N4 P Yb2
• Calculated formula: C70 H97 N4 P Yb2
• SMILES: C1(=N[c]23[c]4([cH]5[Yb]67824([H][Yb]249%10%11%12([P]6(c6ccccc6)c6ccccc6)[c]6([c]2([cH]4[cH]%10[cH]%11[c]%126C(C)C)C(C)C)N=C(N9c2c(cccc2C(C)C)C(C)C)C(C)(C)C)(N1c1c(cccc1C(C)C)C(C)C)[cH]5[cH]7[c]38C(C)C)C(C)C)C(C)(C)C
• Title of publication: Reactivity of Ytterbium(II) Hydride. Redox Reactions: Ytterbium(II) vs Hydrido Ligand. Metathesis of the Yb‒H Bond
• Authors of publication: Basalov, Ivan V.; Lyubov, Dmitry M.; Fukin, Georgy K.; Cherkasov, Anton V.; Trifonov, Alexander A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1507
• a: 15.29584 ± 0.00019 Å
• b: 21.1987 ± 0.0003 Å
• c: 19.8807 ± 0.0003 Å
• α: 90°
• β: 90.6024 ± 0.0012°
• γ: 90°
• Cell volume: 6446 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No