Information card for entry 4330002

Structure parameters

• Formula: C46 H80 Co2 N2 O32 P8 V2
• Calculated formula: C46 H80 Co2 N2 O32 P8 V2
• SMILES: c1cc(ccc1OP1(=[O][V]23(=O)(O[P](OCC)([Co]4567([P](OCC)(OCC)O2)([P](OCC)(OCC)O3)[cH]2[cH]4[cH]5[cH]6[cH]72)OCC)OP(=[O][V]23(O1)(=O)O[P]([Co]1456([P](OCC)(OCC)O2)([P](OCC)(OCC)O3)[cH]2[cH]1[cH]4[cH]5[cH]62)(OCC)OCC)(O)Oc1ccc(cc1)N(=O)=O)O)N(=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: 13.904 ± 0.002 Å
• b: 16.653 ± 0.003 Å
• c: 15.653 ± 0.003 Å
• α: 90°
• β: 111.036 ± 0.002°
• γ: 90°
• Cell volume: 3382.8 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No