Information card for entry 2019969

Structure parameters

• Chemical name: Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)
• Formula: C12 H21 N O3 Si
• Calculated formula: C12 H21 N O3 Si
• SMILES: [Si]12([N](=C(C=C(O1)C)C)[C@H](C(=O)O2)C(C)C)(C)C
• Title of publication: Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand
• Authors of publication: Schwarzer, Anke; Fels, Sabine; Böhme, Uwe
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 511 - 516
• a: 22.9355 ± 0.0007 Å
• b: 8.1571 ± 0.0002 Å
• c: 22.123 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4138.93 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes