Information card for entry 4330001

Structure parameters

• Formula: C46 H82 Co2 O26 P8 V2
• Calculated formula: C46 H81.5 Co2 O26 P8 V2
• SMILES: [Co]123456(P(=[O][V]7(=O)([O]=P1(OCC)OCC)([O]=P2(OCC)OCC)[O]=P(O)(O[V]12(=O)([O]=P([Co]89%10%11(P(=[O]1)(OCC)OCC)(P(=[O]2)(OCC)OCC)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(OCC)OCC)[O]=P(O)(O7)c1ccccc1)c1ccccc1)(OCC)OCC)[cH]1[cH]3[cH]4[cH]5[cH]61
• 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: 12.2986 ± 0.0012 Å
• b: 25.4641 ± 0.0024 Å
• c: 20.5721 ± 0.002 Å
• α: 90°
• β: 95.684 ± 0.015°
• γ: 90°
• Cell volume: 6410.9 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No