Information card for entry 2001285

Structure parameters

• Formula: C26 H30 Cl N6 O3 V
• Calculated formula: C26 H28 Cl N6 O4 V
• Title of publication: Structure of dioxo[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)ethylenediamine]vanadium(V) chloride monohydrate, [VO~2~(tpen)]Cl.H~2~O
• Authors of publication: Neves, A.; Hörner, M.; Fenner, H.; Strähle, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1737 - 1739
• a: 13.01 ± 0.003 Å
• b: 7.687 ± 0.001 Å
• c: 13.412 ± 0.002 Å
• α: 90°
• β: 103.63 ± 0.02°
• γ: 90°
• Cell volume: 1303.5 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 0.844
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No