Information card for entry 7025310

Structure parameters

• Formula: C31 H52 N3 Sc Si2
• Calculated formula: C31 H52 N3 Sc Si2
• SMILES: [Sc]12([N](=C(C)C=C(N1Cc1[n]2cccc1)C)c1c(cccc1C(C)C)C(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Single, double and triple deprotonation of a beta-diketimine bearing pendant pyridyl group and the corresponding rare-earth metal complexes.
• Authors of publication: Xu, Xin; Chen, Yaofeng; Zou, Gang; Sun, Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3952 - 3958
• a: 9.6221 ± 0.0012 Å
• b: 10.391 ± 0.0012 Å
• c: 18.515 ± 0.002 Å
• α: 77.516 ± 0.002°
• β: 81.161 ± 0.002°
• γ: 72.257 ± 0.002°
• Cell volume: 1713.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No