Information card for entry 4078725

Structure parameters

• Formula: C49 H76 N3 O2 Si Y
• Calculated formula: C49 H76 N3 O2 Si Y
• SMILES: [Y]12([O](C)CC[O]1C)(N(c1c(cc(cc1C)C)C)c1[n]2c(ccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)C[Si](C)(C)C
• Title of publication: Reactions of Bis(alkyl)yttrium Complexes Supported by Bulky N,N Ligands with 2,6-Diisopropylaniline and Phenylacetylene
• Authors of publication: Karpov, Alexander V.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5349
• a: 17.1047 ± 0.0013 Å
• b: 19.2401 ± 0.0014 Å
• c: 29.473 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9699.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1653
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No