Information card for entry 1512482

Structure parameters

• Formula: C40 H54 N6 O8 S V2
• Calculated formula: C40 H54 N6 O8 S V2
• SMILES: [V]123(O[V]4(O1)(=O)(OS(=O)(=O)O2)[n]1ccc(cc1c1[n]4ccc(c1)C(C)(C)C)C(C)(C)C)(=O)[n]1ccc(cc1c1[n]3ccc(c1)C(C)(C)C)C(C)(C)C.N#CC.N#CC
• 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: 11.5135 ± 0.0011 Å
• b: 14.5163 ± 0.0014 Å
• c: 15.2416 ± 0.0015 Å
• α: 115.275 ± 0.001°
• β: 91.836 ± 0.002°
• γ: 92.638 ± 0.001°
• Cell volume: 2297.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0885
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No