Information card for entry 1512481

Structure parameters

• Formula: C42 H72 N4 O16 S2 V2
• Calculated formula: C42 H72 N4 O16 S2 V2
• SMILES: [V]12(=O)([OH]C)(OS(=O)(=O)O[V]3(=O)([OH]C)(OS(=O)(=O)O1)[n]1ccc(cc1c1[n]3ccc(c1)C(C)(C)C)C(C)(C)C)[n]1ccc(cc1c1[n]2ccc(c1)C(C)(C)C)C(C)(C)C.OC.OC.OC.OC
• Title of publication: New sulfate-bridged dinuclear oxidovanadium complexes
• Authors of publication: Evgenia S. Bazhinaa; Marina E. Nikiforova; Grigory G. Aleksandrov; Nikolay N. Efimov; Helena A. Ugolkova; Oleg M. Nikitin; Tatiana V. Magdesieva; Artem S. Bogomyakov; Vadim V. Minin; Aleksei A. Sidorov; Vladimir M. Novotortsev; Igor L. Eremenko
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 192 - 198
• a: 10.9943 ± 0.0007 Å
• b: 11.2068 ± 0.0007 Å
• c: 11.9861 ± 0.0008 Å
• α: 93.563 ± 0.001°
• β: 103.708 ± 0.001°
• γ: 116.386 ± 0.001°
• Cell volume: 1261.26 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No