Information card for entry 4346626

Structure parameters

• Formula: C55 H78 N4 O Si
• Calculated formula: C55 H78 N4 O Si
• SMILES: c1(c(C(C)C)cccc1C(C)C)N=[Si](=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)=Nc1c(C(C)C)cccc1C(C)C.C1CCCO1
• Title of publication: Synthesis of an N-Heterocyclic-Carbene-Stabilized Siladiimide.
• Authors of publication: Seow, Celestine; Yim, Wai-Leung; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 4 - 6
• a: 19.024 ± 0.004 Å
• b: 18.708 ± 0.004 Å
• c: 14.086 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5013.2 ± 1.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No