Information card for entry 4086443

Structure parameters

• Formula: C51 H64 B F15 N2 O2 Si4 W
• Calculated formula: C51 H64 B F15 N2 O2 Si4 W
• SMILES: [W]1234(C#[O])(=C=[O][B](c5c(c(c(c(c5F)F)F)F)F)(c5c(c(c(c(c5F)F)F)F)F)c5c(c(c(c(c5F)F)F)F)F)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)[SiH]C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.c1n(c(c([n+]1C(C)C)C)C)C(C)C
• Title of publication: Synthesis of a Tungsten‒Silylyne Complex via Stepwise Proton and Hydride Abstraction from a Hydrido Hydrosilylene Complex
• Authors of publication: Fukuda, Tetsuya; Yoshimoto, Takashi; Hashimoto, Hisako; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 921
• a: 13.0977 ± 0.0019 Å
• b: 28.123 ± 0.004 Å
• c: 15.752 ± 0.002 Å
• α: 90°
• β: 94.128 ± 0.007°
• γ: 90°
• Cell volume: 5787.1 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No