Information card for entry 7109871

Structure parameters

• Formula: C36 H90 O9 Si6 W3
• Calculated formula: C36 H90 O9 Si6 W3
• SMILES: C[Si](C)(C)C[W]1(O[W]([O]2CCCC2)(O[W]([O]2CCCC2)(O1)(=O)(C[Si](C)(C)C)C[Si](C)(C)C)(=O)(C[Si](C)(C)C)C[Si](C)(C)C)(=O)([O]1CCCC1)C[Si](C)(C)C
• Title of publication: Reactions of d0 tungsten alkylidyne complexes with O2 or H2O. Formation of an oxo siloxy complex through unusual silyl migrations
• Authors of publication: Laurel A. Morton; Maozhong Miao; Tabitha M. Callaway; Tianniu Chen; Shu-Jian Chen; Albert A. Tuinman; Xianghua Yu; Zheng Lu; Zi-Ling Xue
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9555
• a: 28.065 ± 0.003 Å
• b: 28.065 ± 0.003 Å
• c: 28.065 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22105 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No