Information card for entry 4300159

Structure parameters

• Formula: C17.35 H25 B Cl0.71 N6 O2 W
• Calculated formula: C18 H25 B Cl2 N6 O2 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: 7.9595 ± 0.0007 Å
• b: 8.6224 ± 0.0008 Å
• c: 16.4166 ± 0.0015 Å
• α: 76.759 ± 0.002°
• β: 76.158 ± 0.002°
• γ: 78.26 ± 0.002°
• Cell volume: 1051.61 ± 0.17 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 3.31
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No