Information card for entry 7714515

Structure parameters

• Formula: C40 H99 K2 N40 O63.5 V8
• Calculated formula: C40 H59 K2 N40 O43.5 V8
• Title of publication: Asymmetric dinuclear, hexanuclear and octanuclear oxovanadium citrates with triazolates: novel mixed-ligands and mixed-valence complexes.
• Authors of publication: Xie, Zhen-Lang; Zhou, Zhao-Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 186 - 195
• a: 20.3045 ± 0.0001 Å
• b: 18.4546 ± 0.0002 Å
• c: 26.9082 ± 0.0002 Å
• α: 90°
• β: 93.638 ± 0.001°
• γ: 90°
• Cell volume: 10062.5 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No