Information card for entry 4322585

Structure parameters

• Formula: C33 H32.5 N2.5 O6.5 V
• Calculated formula: C33 H29.5 N2.5 O6.5 V
• SMILES: [V]123(=O)(Oc4c(OCC)cccc4C=[N]2C(=C([N]3=Cc2cccc(OCC)c2O1)c1ccccc1)c1ccccc1)[OH2].N#CC.O
• Title of publication: Thermal Dehydrogenation of Oxovanadium(IV) Complexes with Schiff Base Ligands Derived from meso-1,2-Diphenyl-1,2-ethanediamine in the Solid State
• Authors of publication: Gakuse Hoshina; Masanobu Tsuchimoto; Shigeru Ohba; Kiyohiko Nakajima; Hidehiro Uekusa; Yuji Ohashi; Hiroyuki Ishida; Masaaki Kojima
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 142 - 145
• a: 19.884 ± 0.001 Å
• b: 12.084 ± 0.001 Å
• c: 26.192 ± 0.002 Å
• α: 90°
• β: 96.89 ± 0.01°
• γ: 90°
• Cell volume: 6247.9 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1806
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections: 0.2223
• Weighted residual factors for significantly intense reflections: 0.1556
• Goodness-of-fit parameter for all reflections: 0.95
• Goodness-of-fit parameter for significantly intense reflections: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No