Information card for entry 4087238

Structure parameters

• Formula: C74 H116 N5 Y
• Calculated formula: C74 H116 N5 Y
• SMILES: C1=C(C)N(c2c(cccc2C(C)C)C(C)C)[Y]2(N(C1=C)c1c(cccc1C(C)C)C(C)C)N(c1c(cccc1C(C)C)C(C)C)C(C)=CC(N2c1c(cccc1C(C)C)C(C)C)=C.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Reactivity of Homoleptic Dianionic β-Diketiminato-Supported Yttrium Complexes toward CS2: Construction of Neutral or Anionic Dihydropyridinethione
• Authors of publication: Zhang, Yin; Zhang, Jie; Hong, Qianquan; Weng, Linhong; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 16.02 ± 0.007 Å
• b: 18.329 ± 0.008 Å
• c: 24.614 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7227 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1604
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No