Information card for entry 2007398

Structure parameters

• Chemical name: Chloro(2,3-dimethylbutane-2,3-diolato-O,O'(2-))(2,3-dimethylbutane-2,3- diolato-O,O'-(1-))oxotungsten(VI)
• Formula: C12 H25 Cl O5 W
• Calculated formula: C12 H25 Cl O5 W
• SMILES: [W]12(Cl)(OC(C)(C(O1)(C)C)C)(OC(C)(C([OH]2)(C)C)C)=O
• Title of publication: Chloro[2,3-dimethylbutane-2,3-diolato(2 ‒)-<i>O</i>,<i>O</i>'][2,3-dimethylbutane-2,3-diolato(1 ‒)-<i>O</i>,<i>O</i>']oxotungsten(VI)
• Authors of publication: Lehtonen, Ari; Sillanpää, Reijo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 935 - 937
• a: 8.42 ± 0.0007 Å
• b: 12.908 ± 0.002 Å
• c: 7.9874 ± 0.0009 Å
• α: 94.902 ± 0.011°
• β: 93.311 ± 0.008°
• γ: 104.834 ± 0.008°
• Cell volume: 833.25 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for all reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No