Information card for entry 4307305

Structure parameters

• Formula: C12 H30 Na6 O26 S2 V
• Calculated formula: C12 H30 Na6 O26 S2 V
• SMILES: S(=O)(=O)([O-])[O-].[V]1234(OC5C(C(C(C(C5O)O1)O)O2)O)OC1C(C(C(C(C1O)O3)O)O4)O.[Na+].O.[Na+].[Na+].[Na+].[O-]S(=O)(=O)[O-].O.O.[Na+].[Na+].O.O.O
• Title of publication: Synthesis and Characterization of Vanadium(IV) Complexes with cis-Inositol in Aqueous Solution and in the Solid-State
• Authors of publication: Bernd Morgenstern; Barbara Kutzky; Christian Neis; Stefan Stucky; Kaspar Hegetschweiler; Eugenio Garribba; Giovanni Micera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3903 - 3915
• a: 9.548 ± 0.001 Å
• b: 9.548 ± 0.001 Å
• c: 27.314 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2156.5 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No