Information card for entry 4329999

Structure parameters

• Formula: C58 H94 Co2 O26 P8 V2
• Calculated formula: C58 H94 Co2 O26 P8 V2
• SMILES: c1c(cccc1)P1(=[O][V]23(OP(c4ccccc4)(c4ccccc4)=[O][V]45(O1)(=O)O[P]([Co]1678([P](OCC)(OCC)O4)([P](OCC)(OCC)O5)[cH]4[cH]1[cH]6[cH]7[cH]84)(OCC)OCC)(=O)O[P]([Co]1456([P](OCC)(OCC)O2)([P](OCC)(OCC)O3)[cH]2[cH]5[cH]6[cH]1[cH]42)(OCC)OCC)c1ccccc1.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: 11.7238 ± 0.0007 Å
• b: 11.8877 ± 0.0007 Å
• c: 15.238 ± 0.0013 Å
• α: 96.224 ± 0.001°
• β: 103.748 ± 0.001°
• γ: 113.888 ± 0.001°
• Cell volume: 1835.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0395
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No