Information card for entry 7025312

Structure parameters

• Formula: C35 H56 N3 O2 Si Y
• Calculated formula: C35 H56 N3 O2 Si Y
• SMILES: [Y]12([N](=C(C)C=C([N]1=Cc1[n]2cccc1)C)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)([O]1CCCC1)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: 9.6283 ± 0.0018 Å
• b: 18.118 ± 0.003 Å
• c: 21.637 ± 0.004 Å
• α: 90°
• β: 100.217 ± 0.004°
• γ: 90°
• Cell volume: 3714.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1444
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No