Information card for entry 4087239

Structure parameters

• Formula: C78 H115 K N6 O6 S2
• Calculated formula: C78 H115 K N6 O6 S2
• 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: 14.739 ± 0.004 Å
• b: 16.894 ± 0.004 Å
• c: 19.816 ± 0.005 Å
• α: 75.797 ± 0.004°
• β: 71.313 ± 0.004°
• γ: 80.812 ± 0.004°
• Cell volume: 4514 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No