Information card for entry 2215835

Structure parameters

• Chemical name: Di-μ-oxido-bis({2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}vanadium(IV)) dimethylformamide disolvate
• Formula: C40 H46 N6 O8 V2
• Calculated formula: C40 H46 N6 O8 V2
• SMILES: c12ccccc1C=[N]1CCC[N]3[V]451(O2)(Oc1ccccc1C=3)O[V]1235([N](=Cc5c(cccc5)O2)CCC[N]1=Cc1ccccc1O3)O4.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Di-μ-oxido-bis({2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}vanadium(IV)) dimethylformamide disolvate
• Authors of publication: Liu, Ying; Dou, Jianmin; Niu, Meiju; Zhang, Xianxi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2731 - m2731
• a: 10.9161 ± 0.0005 Å
• b: 9.9986 ± 0.0005 Å
• c: 17.7812 ± 0.001 Å
• α: 90°
• β: 101.291 ± 0.002°
• γ: 90°
• Cell volume: 1903.18 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes