Information card for entry 7011687

Structure parameters

• Formula: C13 H11 N4 O3 V
• Calculated formula: C13 H11 N4 O3 V
• Title of publication: Biomimetic oxo-, dioxo- and oxo-peroxo-hydrazonato-vanadium(iv/v) complexes
• Authors of publication: Maurya, Mannar R.; Khurana, Shilpa; Zhang, Wenjian; Rehder, Dieter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 3015
• a: 14.28 ± 0.005 Å
• b: 6.834 ± 0.002 Å
• c: 14.297 ± 0.005 Å
• α: 90°
• β: 106.507 ± 0.006°
• γ: 90°
• Cell volume: 1337.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No