Information card for entry 2206228

Structure parameters

• Chemical name: trans-Diaquadichlorooxovanadium(IV) bis[2-(2-pyridylamino)pyridinium] dichloride
• Formula: C20 H24 Cl4 N6 O3 V
• Calculated formula: C20 H24 Cl4 N6 O3 V
• SMILES: c1(cccc[nH+]1)Nc1ccccn1.c1(cccc[nH+]1)Nc1ccccn1.O=[V]([OH2])([OH2])(Cl)Cl.[Cl-].[Cl-]
• Title of publication: <i>trans</i>-Diaquadichlorooxovanadium(IV) bis[2-(2-pyridylamino)pyridinium] dichloride
• Authors of publication: Hartung, Jens; Schmidt, Philipp; Svoboda, Ingrid; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1253 - m1255
• a: 7.838 ± 0.002 Å
• b: 9.609 ± 0.001 Å
• c: 17.739 ± 0.003 Å
• α: 86.68 ± 0.01°
• β: 86.1 ± 0.02°
• γ: 75.32 ± 0.01°
• Cell volume: 1288.3 ± 0.4 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes