Information card for entry 4066813

Structure parameters

• Formula: C23 H48 O3 Si4 W
• Calculated formula: C23 H45 O3 Si4 W
• SMILES: [W]1234([SiH](OC)C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Experimental and Theoretical Study of a Tungsten Dihydride Silyl Complex: New Insight into Its Bonding Nature and Fluxional Behavior
• Authors of publication: Ray, Mausumi; Nakao, Yoshihide; Sato, Hirofumi; Sakaki, Shigeyoshi; Watanabe, Takahito; Hashimoto, Hisako; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6267
• a: 15.7384 ± 0.0017 Å
• b: 8.9528 ± 0.0015 Å
• c: 20.893 ± 0.002 Å
• α: 90°
• β: 94.745 ± 0.003°
• γ: 90°
• Cell volume: 2933.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1384
• Residual factor for significantly intense reflections: 0.1243
• Weighted residual factors for significantly intense reflections: 0.2919
• Weighted residual factors for all reflections included in the refinement: 0.3036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No