Information card for entry 2010048

Structure parameters

• Chemical name: oxo (N,N'-bis(2-hydroxybenzyl)-N-(methyl)-N'- (pyridylmethyl) -1,3-propanodiamine)-vanadium (IV) hemihydrate
• Formula: C24 H28 N3 O3.5 V
• Calculated formula: C24 H28 N3 O3.5 V
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzyl)-<i>N</i>-methyl-<i>N</i>'-(2-pyridylmethyl)-1,3-propanediamine]oxovanadium(IV) hemihydrate, [VO(bbmppn)].0.5H~2~O
• Authors of publication: Neves, Ademir; Vencato, Ivo; Mascarenhas, Yvonne P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1417 - 1419
• a: 36.52 ± 0.003 Å
• b: 6.84 ± 0.002 Å
• c: 18.241 ± 0.002 Å
• α: 90°
• β: 108.03 ± 0.02°
• γ: 90°
• Cell volume: 4332.8 ± 1.5 ų
• Cell temperature: 296 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.0823
• Goodness-of-fit parameter for significantly intense reflections: 5.09
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No