Information card for entry 2003627

Structure parameters

• Chemical name: (3-chloro-1,2-propanediolato)bis(2,3-dimethyl-2,3- butanediolato)tungsten(VI)
• Formula: C15 H29 Cl O6 W
• Calculated formula: C15 H29 Cl O6 W
• SMILES: [W]123(OCC(O1)CCl)(OC(C)(C(O2)(C)C)C)OC(C)(C(O3)(C)C)C
• Title of publication: (3-Chloro-1,2-propanediolato-<i>O</i>,<i>O</i>')bis(2,3-dimethyl-2,3-butanediolato-<i>O</i>,<i>O</i>')tungsten(VI)
• Authors of publication: Lehtonen, A.; Sillanpää, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1270 - 1271
• a: 9.315 ± 0.003 Å
• b: 12.995 ± 0.005 Å
• c: 8.913 ± 0.003 Å
• α: 105.63 ± 0.03°
• β: 104.29 ± 0.03°
• γ: 69.98 ± 0.03°
• Cell volume: 961.9 ± 0.6 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: 0.0813
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections: 0.1225
• Weighted residual factors for significantly intense reflections: 0.1091
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No