Information card for entry 4089245

Structure parameters

• Formula: C22 H40 Cl Hf N O3 Si4
• Calculated formula: C22 H40 Cl Hf N O3 Si4
• SMILES: [Hf]12345678(Cl)([Si]([Si](C)(C)C)([Si](C)(C)C)[Si]9%10OCCN(CCO9)CCO%10)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Tuning the Si-N Interaction in Metalated Oligosilanylsilatranes.
• Authors of publication: Aghazadeh Meshgi, Mohammad; Zitz, Rainer; Walewska, Małgorzata; Baumgartner, Judith; Marschner, Christoph
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1365 - 1371
• a: 11.397 ± 0.003 Å
• b: 11.523 ± 0.003 Å
• c: 21.702 ± 0.005 Å
• α: 90°
• β: 98.649 ± 0.004°
• γ: 90°
• Cell volume: 2817.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No