Information card for entry 2208324

Structure parameters

• Chemical name: (2,2'-Bipyridyl)bis(pentane-2,4-dionato)vanadium(III) perchlorate dichloromethane solvate
• Formula: C21 H24 Cl3 N2 O8 V
• Calculated formula: C21 H24 Cl3 N2 O8 V
• SMILES: [V]123([n]4c(cccc4)c4[n]1cccc4)(OC(=CC(=[O]2)C)C)OC(=CC(=[O]3)C)C.Cl(=O)(=O)(=O)[O-].C(Cl)Cl
• Title of publication: (2,2'-Bipyridyl)bis(pentane-2,4-dionato)vanadium(III) perchlorate dichloromethane solvate
• Authors of publication: Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m529 - m531
• a: 15.0676 ± 0.0005 Å
• b: 12.5534 ± 0.0003 Å
• c: 14.5533 ± 0.0005 Å
• α: 90°
• β: 111.486 ± 0.0013°
• γ: 90°
• Cell volume: 2561.45 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No