Information card for entry 4071760

Structure parameters

• Formula: C40 H59 Cl2 Li0 N2 O2 Y
• Calculated formula: C44 H67 Cl3 Li N2 O3 Y
• SMILES: [Y]12([Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1)(Cl)([O]1CCCC1)[n]1c(N2c2c(cccc2C(C)C)C(C)C)cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Selective Assembly of Trinuclear Rare-Earth Alkyl Hydrido Clusters Supported by Amidopyridinate Ligands
• Authors of publication: Lyubov, Dmitrii M.; Döring, Christian; Fukin, Georgii K.; Cherkasov, Anton V.; Shavyrin, Andrei S.; Kempe, Rhett; Trifonov, Alexander A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 2905
• a: 12.828 ± 0.0009 Å
• b: 13.41 ± 0.0009 Å
• c: 15.715 ± 0.001 Å
• α: 71.15 ± 0.005°
• β: 84.948 ± 0.005°
• γ: 65.743 ± 0.005°
• Cell volume: 2329.4 ± 0.3 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No