Information card for entry 4330005

Structure parameters

• Formula: C42 H90 Co2 O26 P8 V2
• Calculated formula: C42 H90 Co2 O26 P8 V2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Co]162345[P](OCC)(OCC)O[V]2(O[P]1(OCC)OCC)(O[P]6(OCC)OCC)([O]=P(C(C)(C)C)(O[V]13([O]=P(O)(C(C)(C)C)O2)(=O)O[P]([Co]2456([cH]7[cH]2[cH]4[cH]5[cH]67)([P](OCC)(OCC)O1)[P](OCC)(OCC)O3)(OCC)OCC)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: 11.9251 ± 0.0008 Å
• b: 15.7419 ± 0.001 Å
• c: 18.0135 ± 0.0012 Å
• α: 90°
• β: 109.224 ± 0.001°
• γ: 90°
• Cell volume: 3193 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No