Information card for entry 7021252

Structure parameters

• Formula: C108 H87 Cl Fe3 N18 O46.5 V16
• Calculated formula: C108 H72 Cl Fe3 N18 O46.5 V16
• Title of publication: Synthesis and characterizations of the first [V16O39Cl]6- (V16O39) polyanion.
• Authors of publication: Xiao, Li-Na; Xu, Jia-Ning; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5247 - 5251
• a: 18.042 ± 0.004 Å
• b: 18.473 ± 0.004 Å
• c: 37.762 ± 0.008 Å
• α: 90°
• β: 92.86 ± 0.03°
• γ: 90°
• Cell volume: 12570 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2085
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.2748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No