Information card for entry 7050131

Structure parameters

• Formula: C26 H36 N3 O7 V
• Calculated formula: C26 H36 N3 O7 V
• SMILES: [V]123(=O)(OO1)(OC(=O)C(O2)=O)[n]1cccc2c1c1[n]3cccc1cc2.[N+](CCC)(CCC)(CCC)CCC
• Title of publication: Racemic vanadium(V) oxo monoperoxo complexes with two achiral bidentate heteroligands. Synthesis, characterization, crystal structure and stereochemistry of K[VO(O2)(ox)(bpy)]·3H2O and Pr4N[VO(O2)(ox)(phen)]
• Authors of publication: Jozef Tatiersky; Peter Schwendt; Jaromír Marek; Michal Sivák
• Journal of publication: New J. Chem.
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 127 - 133
• a: 29.5519 ± 0.0012 Å
• b: 10.0503 ± 0.0005 Å
• c: 19.316 ± 0.0009 Å
• α: 90°
• β: 112.005 ± 0.004°
• γ: 90°
• Cell volume: 5319 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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 all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No