Information card for entry 4087236

Structure parameters

• Formula: C70 H104 K N4 O3 Y
• Calculated formula: C70 H104 K N4 O3 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.[K]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 14.205 ± 0.005 Å
• b: 22.685 ± 0.008 Å
• c: 21.121 ± 0.008 Å
• α: 90°
• β: 95.931 ± 0.005°
• γ: 90°
• Cell volume: 6770 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0761
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No