Information card for entry 7010675

Structure parameters

• Formula: C40 H72 N2 O8 V2
• Calculated formula: C40 H72 N2 O8 V2
• SMILES: [V]12(=O)(=O)[O]3[V](=O)(=O)(Oc4c3cc(cc4C(C)(C)C)C(C)(C)C)[O]1c1cc(cc(c1O2)C(C)(C)C)C(C)(C)C.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC
• Title of publication: Unexpected reduction of vanadium(IV) to vanadium(III) in the presence of the chelate ligands 2,2'-bipyridine (bpy) and 1,8-hydroxyquinoline (Hquin)
• Authors of publication: Manos, Manolis J.; Tasiopoulos, Anastasios J.; Raptopoulou, Catherine; Terzis, Aris; Woollins, J. Derek; Slawin, Alexandra M. Z.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 10
• Pages of publication: 1556
• a: 14.915 ± 0.015 Å
• b: 15.029 ± 0.014 Å
• c: 11.091 ± 0.012 Å
• α: 90.15 ± 0.03°
• β: 99.02 ± 0.04°
• γ: 107.11 ± 0.03°
• Cell volume: 2344 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for all reflections: 0.2555
• Weighted residual factors for significantly intense reflections: 0.2328
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No