Information card for entry 4065252

Structure parameters

• Formula: C80 H122 N8 Y2
• Calculated formula: C80 H122 N8 Y2
• SMILES: CC1=CC(=[N]2[Y]3([H][Y]45([H]3)([N](=C(C)C=C(C)N5CC[N]4(C)C)c3c(cccc3C(C)C)C(C)C)Nc3c(cccc3C(C)C)C(C)C)(N1c1c(cccc1C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)[N](CC2)(C)C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Yttrium Anilido Hydride: Synthesis, Structure, and Reactivity
• Authors of publication: Lu, Erli; Chen, Yaofeng; Leng, Xuebing
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5433
• a: 21.552 ± 0.004 Å
• b: 18.772 ± 0.004 Å
• c: 19.399 ± 0.004 Å
• α: 90°
• β: 92.502 ± 0.002°
• γ: 90°
• Cell volume: 7841 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No