Information card for entry 4338708

Structure parameters

• Formula: C42 H39 N6 O15 V2
• Calculated formula: C42 H29 N6 O15 V2
• Title of publication: Formations of mixed-valence oxovanadiumV,IV citrates and homocitrate with N-heterocycle chelated ligand.
• Authors of publication: Chen, Can-Yu; Zhou, Zhao-Hui; Chen, Hong-Bin; Huang, Pei-Qiang; Tsai, Khi-Rui; Chow, Yuan L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2008
• Journal volume: 47
• Journal issue: 19
• Pages of publication: 8714 - 8720
• a: 12.5702 ± 0.0004 Å
• b: 13.5289 ± 0.0006 Å
• c: 14.1029 ± 0.0006 Å
• α: 73.634 ± 0.004°
• β: 82.865 ± 0.003°
• γ: 72.525 ± 0.004°
• Cell volume: 2192.92 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.233
• Weighted residual factors for all reflections included in the refinement: 0.2394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No