Information card for entry 2232042

Structure parameters

• Chemical name: Di-μ-chlorido-bis[diacetonitrilechloridooxidovanadium(IV)]
• Formula: C8 H12 Cl4 N4 O2 V2
• Calculated formula: C8 H12 Cl4 N4 O2 V2
• SMILES: [V]1([N]#CC)(Cl)([N]#CC)(=O)[Cl][V]([N]#CC)(Cl)([N]#CC)(=O)[Cl]1
• Title of publication: Di-μ-chlorido-bis[diacetonitrilechloridooxidovanadium(IV)]
• Authors of publication: Dastych, Dalibor; Rotter, Pavel; Demo, Gabriel; Dastychová, Lenka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1398
• a: 7.0242 ± 0.0006 Å
• b: 8.1388 ± 0.0006 Å
• c: 8.7118 ± 0.0005 Å
• α: 86.536 ± 0.006°
• β: 66.806 ± 0.007°
• γ: 74.374 ± 0.007°
• Cell volume: 440.28 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes