Information card for entry 4080580

Structure parameters

• Formula: C56 H64 N5 S Y
• Calculated formula: C56 H64 N5 S Y
• SMILES: [Y]12(N(c3c(cccc3C(C)C)C(C)C)C(C)(C)c3[n]1c(ccc3)C1Sc3c(C2=1)cccc3)([n]1ccccc1)([n]1ccccc1)Nc1c(cccc1C(C)C)C(C)C.c1ccccc1
• Title of publication: Yttrium Complexes Featuring Different Y‒C Bonds. Comparative Reactivity Studies: Toward Terminal Imido Complexes
• Authors of publication: Karpov, Alexander A.; Cherkasov, Anton V.; Fukin, Georgy K.; Shavyrin, Andrei S.; Luconi, Lapo; Giambastiani, Giuliano; Trifonov, Alexander A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 8
• Pages of publication: 2379
• a: 10.51965 ± 0.00015 Å
• b: 19.8913 ± 0.0004 Å
• c: 47.7557 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9992.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No