Information card for entry 2241679

Structure parameters

• Chemical name: Bis[μ-2-(diisopropylphosphoryl)propan-2-olato-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^]bis[chloridooxidovanadium(IV)]
• Formula: C18 H40 Cl2 O6 P2 V2
• Calculated formula: C18 H40 Cl2 O6 P2 V2
• SMILES: C(C)(C)P1(C(C)(C)[O]2[V](Cl)([O]=1)([O]1C(C)(C)P(C(C)C)(C(C)C)=[O][V]21(=O)Cl)=O)C(C)C
• Title of publication: Crystal structure of bis[μ-2-(diisopropylphosphoryl)propan-2-olato-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^]bis[chloridooxidovanadium(IV)]
• Authors of publication: Glatz, Mathias; Stöger, Berthold; Weil, Matthias; Kirchner, Karl
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 6
• Pages of publication: 785 - 788
• a: 8.0592 ± 0.0017 Å
• b: 8.611 ± 0.002 Å
• c: 10.17 ± 0.002 Å
• α: 104.148 ± 0.007°
• β: 96.778 ± 0.006°
• γ: 98.132 ± 0.006°
• Cell volume: 668.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.53
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes