Information card for entry 7041372

Structure parameters

• Formula: C32 H72 N4 O26 S2 V4
• Calculated formula: C32 H72 N4 O26 S2 V4
• SMILES: O=[V]123([OH]C)[O]45[V]678(=O)[O]1CC1(C[O]96[V]6(=O)([OH]C)([O]7CC(C4)(C[O]6[V]59(=O)([O]3C1)OS(=O)(=O)O2)c1ccncc1)OS(=O)(=O)O8)c1ccncc1.C[N+](C)(C)C.CO.OC.O.C[N+](C)(C)C.CO.CO.O
• Title of publication: Functional polyoxometalates from solvothermal reactions of VOSO4 with tripodal alkoxides - a study on the reactivity of different "tris" derivatives.
• Authors of publication: Nachtigall, Olaf; Hagenbach, Adelheid; Wiecko, Jelena; Lentz, Dieter; Abram, Ulrich; Spandl, Johann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 509 - 516
• a: 10.67 ± 0.002 Å
• b: 11.411 ± 0.002 Å
• c: 11.905 ± 0.002 Å
• α: 92.03 ± 0.01°
• β: 110.13 ± 0.01°
• γ: 107.54 ± 0.01°
• Cell volume: 1281.9 ± 0.4 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: 0.1316
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No