Information card for entry 2218845

Structure parameters

• Chemical name: Di-μ-oxido-bis{[(<i>R</i>,<i>R</i>)-(+)-1-amino-2-(3-methoxy-2- oxidobenzylideneamino-κ^2^<i>O</i>^2^,<i>N</i>)-1,2-diphenylethane- κ<i>N</i>]oxidovanadium(V)} dihydrate
• Formula: C44 H46 N4 O10 V2
• Calculated formula: C44 H46 N4 O10 V2
• SMILES: [V]123(=O)(O[V]45(=O)(O1)Oc1c(cccc1C=[N]4[C@H](c1ccccc1)[C@H]([NH2]5)c1ccccc1)OC)Oc1c(cccc1C=[N]2[C@H](c1ccccc1)[C@H]([NH2]3)c1ccccc1)OC.O.O
• Title of publication: Di-μ-oxido-bis{[(<i>R</i>,<i>R</i>)-(+)-1-amino-2-(3-methoxy-2-oxidobenzylideneamino-κ^2^<i>O</i>^2^,<i>N</i>)-1,2-diphenylethane-κ<i>N</i>]oxidovanadium(V)} dihydrate
• Authors of publication: Romanowski, Grzegorz; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m886 - m887
• a: 9.328 ± 0.004 Å
• b: 16.95 ± 0.007 Å
• c: 25.49 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4030 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes