Information card for entry 4339661

Structure parameters

• Formula: C30 H46 O18 V4
• Calculated formula: C30 H46 O18 V4
• SMILES: C1(=[O][V]23(OC(=C1)C)([O]1CC4(C[O]56[V]78(OC(=CC(=[O]7)C)C)([O]7[V]96([O]=C(C=C(O9)C)C)([O]62[V]215([O]=C(C=C(O2)C)C)[O]8CC(C7)(C6)CO)[O]3C4)=O)CO)=O)C
• Title of publication: Synthesis, structural, and magnetic studies on a redox family of tetrametallic vanadium clusters: {VIV4}, {VIII2VIV2}, and {VIII4} butterfly complexes.
• Authors of publication: Tidmarsh, Ian S.; Scales, Emma; Brearley, Paul R.; Wolowska, Joanna; Sorace, Lorenzo; Caneschi, Andrea; Laye, Rebecca H.; McInnes, Eric J. L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9743 - 9753
• a: 15.6887 ± 0.0016 Å
• b: 13.5545 ± 0.0014 Å
• c: 17.3368 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3686.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No