Information card for entry 7041373

Structure parameters

• Formula: C22 H56 N8 O22 S2 V4
• Calculated formula: C22 H56 N8 O22 S2 V4
• SMILES: C1C2(C[O]3[V]45(OS(=O)(=O)O[V]673([O]35CC5(C[O]7[V]78(OS(=O)(=O)O[V]3([O]14)([O]67C2)([O]8C5)=O)(=O)[OH]C)CN=N#N)=O)(=O)[OH]C)CN=N#N.C[N+](C)(C)C.OC.C[N+](C)(C)C.CO
• 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: 17.8617 ± 0.001 Å
• b: 23.0313 ± 0.0014 Å
• c: 10.4655 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4305.3 ± 0.4 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No