Information card for entry 4112384

Structure parameters

• Formula: C40 H31 B Cl2 F20 P2 W
• Calculated formula: C40 H31 B Cl2 F20 P2 W
• SMILES: [W]12345(Cl)(Cl)([P](C)(C)CC[P]1(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes
• Authors of publication: Benjamin V. Mork; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4375 - 4385
• a: 16.242 ± 0.0004 Å
• b: 16.242 ± 0.0003 Å
• c: 33.5243 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8843.8 ± 0.3 ų
• Cell temperature: 161 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No