Information card for entry 4328477

Structure parameters

• Chemical name: aa ?
• Formula: C89 H89 N O15 P6 V3
• Calculated formula: C89 H89 N O15 P6 V3
• SMILES: [V]1234(O[V]5(=O)([O]=P(O1)(Cc1ccccc1)Cc1ccccc1)(OP(=[O]2)(Cc1ccccc1)Cc1ccccc1)[O]=P(O[V](=O)([O]=P(O5)(Cc1ccccc1)Cc1ccccc1)(OP(=[O]3)(Cc1ccccc1)Cc1ccccc1)[O]=P(O4)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)[n]1ccccc1
• Title of publication: Syntheses, X-ray Structural Characterizations, and Thermal Stabilities of Two Nonclassical Trinuclear Vanadium(IV) Complexes, (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(H2O) and (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(py), and Polymeric Complexes of Stoichiometry (VO(O2PR2)2)\ιnfty, R2 = Ph2 and o-(CH2)2(C6H4)
• Authors of publication: John S. Maass; Zhichao Chen; Matthias Zeller; Floriana Tuna; Richard E. P. Winpenny; Rudy L. Luck
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2766 - 2776
• a: 13.248 ± 0.002 Å
• b: 13.779 ± 0.002 Å
• c: 14.05 ± 0.001 Å
• α: 108.3 ± 0.01°
• β: 103.97 ± 0.01°
• γ: 110.889 ± 0.002°
• Cell volume: 2086.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No