Information card for entry 4333426

Structure parameters

• Formula: C36 H46 O16 V4
• Calculated formula: C36 H46 O16 V4
• SMILES: C1=C(O[V]234([O]=C1C)[O]1[V]56([O]=C(c7ccccc7)O[V]789(OC(=CC(C)=[O]7)C)[O]([V]7([O]=C(c%10ccccc%10)O3)([O]8CC(C1)(C[O]47)CC)=O)CC(C[O]25)(C[O]69)CC)=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: 9.2831 ± 0.0003 Å
• b: 11.1266 ± 0.0004 Å
• c: 19.4966 ± 0.0007 Å
• α: 90°
• β: 102.773 ± 0.003°
• γ: 90°
• Cell volume: 1963.96 ± 0.12 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: 0.039
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No