Information card for entry 4103248

Structure parameters

• Formula: C41 H49 N O Si Zr
• Calculated formula: C41 H49 N O Si Zr
• SMILES: [Zr]123456789(OC%10(C(=C9c9ccc(cc9)C)C9=C([Si](N=C9C(C)(C)C)(C)C)c9ccc(cc9)C)CCCCC%10)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds
• Authors of publication: Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14042 - 14045
• a: 40.229 ± 0.008 Å
• b: 10.358 ± 0.002 Å
• c: 18.927 ± 0.004 Å
• α: 90°
• β: 99.51 ± 0.03°
• γ: 90°
• Cell volume: 7778 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1951
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No