Information card for entry 2016272

Structure parameters

• Common name: TBPY-5-34-[2-oxy-κO-acetophenone-N-(2-oxy-κO-ethyl) iminato-κN]silacyclopentane
• Chemical name: (Ethane-1,2-diyl)(2-{[1-(2-oxidophenyl)ethylidene-κO]amino-κN}ethanolato-\ κO)silicon
• Formula: C14 H19 N O2 Si
• Calculated formula: C14 H19 N O2 Si
• SMILES: [Si]123(OCC[N]2=C(C)c2c(O1)cccc2)CCCC3
• Title of publication: Two modifications of a five-coordinate silicon complex
• Authors of publication: Böhme, Uwe; Foehn, Ines C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o613 - o616
• a: 9.5798 ± 0.0004 Å
• b: 9.9284 ± 0.0005 Å
• c: 13.7788 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1310.53 ± 0.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes