Information card for entry 7010674

Structure parameters

• Formula: C18 H21 Cl2 N2 O3 V
• Calculated formula: C18 H21 Cl2 N2 O3 V
• SMILES: [V]12(Cl)(Cl)([O]=C(C)C=C(O1)C)[n]1ccccc1c1[n]2cccc1.O=C(C)C
• 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: 12.616 ± 0.002 Å
• b: 12.451 ± 0.002 Å
• c: 14.337 ± 0.003 Å
• α: 90°
• β: 115.699 ± 0.006°
• γ: 90°
• Cell volume: 2029.3 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• 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: 0.1267
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections: 0.2357
• Weighted residual factors for significantly intense reflections: 0.184
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No