Information card for entry 4300158

Structure parameters

• Formula: C22 H34 B Cl4 F3 N6 O5 S W
• Calculated formula: C22 H34 B Cl4 F3 N6 O5 S W
• Title of publication: Deprotonation of Cationic Tungsten(IV) Aqua-Oxo-Alkyne Complexes To Form Dioxo-Vinyl Tungsten(VI) Complexes
• Authors of publication: Todd W. Crane; Peter S. White; Joseph L. Templeton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1081 - 1091
• a: 16.8117 ± 0.0007 Å
• b: 10.5521 ± 0.0005 Å
• c: 20.0591 ± 0.0009 Å
• α: 90°
• β: 112.238 ± 0.001°
• γ: 90°
• Cell volume: 3293.8 ± 0.3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 9
• 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: 0.032
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.03
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No