Information card for entry 2229276

Structure parameters

• Chemical name: Bis[4-(2-isopropyl-2<i>H</i>-tetrazol-5-yl)phenyl]dimethylsilane
• Formula: C22 H28 N8 Si
• Calculated formula: C22 H28 N8 Si
• SMILES: c1(ccc(cc1)c1nn(C(C)C)nn1)[Si](C)(c1ccc(cc1)c1nn(C(C)C)nn1)C
• Title of publication: Bis[4-(2-isopropyl-2<i>H</i>-tetrazol-5-yl)phenyl]dimethylsilane
• Authors of publication: Wang, Peng; Yue, Zheng; Zhang, Jie; Feng, Sheng-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o368
• a: 7.2722 ± 0.0014 Å
• b: 11.536 ± 0.002 Å
• c: 28.444 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2386.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes