Information card for entry 2236352

Structure parameters

• Chemical name: <i>cis</i>-Chloridobis(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')oxidovanadium(IV) chloride ethanol monosolvate monohydrate
• Formula: C26 H32 Cl2 N4 O3 V
• Calculated formula: C26 H32 Cl2 N4 O3 V
• SMILES: [V]12(Cl)(=O)([n]3ccc(cc3c3[n]1ccc(c3)C)C)[n]1c(c3[n]2ccc(c3)C)cc(cc1)C.[Cl-].OCC.O
• Title of publication: <i>cis</i>-Chloridobis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')oxidovanadium(IV) chloride ethanol monosolvate monohydrate
• Authors of publication: Shirvan, Sadif A.; Haydari Dezfuli, Sara; Golabi, Elyas; Gholamzadeh, Mohammad Amin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1311 - m1312
• a: 9.6955 ± 0.0011 Å
• b: 10.9905 ± 0.0012 Å
• c: 14.5739 ± 0.0017 Å
• α: 68.711 ± 0.002°
• β: 72.401 ± 0.002°
• γ: 81.381 ± 0.002°
• Cell volume: 1377.9 ± 0.3 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: 0.0741
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes