Information card for entry 4339662

Structure parameters

• Formula: C30 H46 O16 V4
• Calculated formula: C30 H46 O16 V4
• SMILES: C1=C(C)O[V]23(=O)([O]=C1C)[O]1[V]456(OC(=CC(=[O]4)C)C)[O]42[V]278(OC(=CC(=[O]2)C)C)[O]2[V]9(OC(=CC(=[O]9)C)C)([O]57CC(C1)(C[O]38)C)([O]6CC(C2)(C4)C)=O
• 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: 10.2091 ± 0.0004 Å
• b: 15.6663 ± 0.0007 Å
• c: 11.3058 ± 0.0005 Å
• α: 90°
• β: 91.77 ± 0.003°
• γ: 90°
• Cell volume: 1807.37 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No