Information card for entry 4330006

Structure parameters

• Formula: C17 H42 Cl Co O13.5 P3 V
• Calculated formula: C17 H42 Cl Co O13.5 P3 V
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Co]162345P(OCC)(OCC)=[O][V]([O]=P1(OCC)OCC)([O]=P6(OCC)OCC)(=O)([OH2])[OH2].[Cl-].O.O
• Title of publication: Phosph(on/in)ate-Bridged Vanadium(IV) Dimers: Synthesis and Characterization
• Authors of publication: Alexander E. Anderson; Michael P. Weberski; Craig C. McLauchlan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8719 - 8728
• a: 11.8684 ± 0.0017 Å
• b: 16.456 ± 0.002 Å
• c: 17.146 ± 0.003 Å
• α: 116.304 ± 0.003°
• β: 98.167 ± 0.004°
• γ: 90.754 ± 0.004°
• Cell volume: 2960.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0467
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No