Information card for entry 7047862

Structure parameters

• Formula: C20 H56 N2 O19 V6
• Calculated formula: C20 H56 N2 O19 V6
• Title of publication: Vanadyl sulfates: molecular structure, magnetism and electrochemical activity.
• Authors of publication: Ignaszak, Anna; Patterson, Nigel; Radtke, Mariusz; Elsegood, Mark R. J.; Frese, Josef W. A.; Lipman, Joah L. Z. F.; Yamato, Takehiko; Sanz, Sergio; Brechin, Euan K.; Prior, Timothy J.; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 44
• Pages of publication: 15983 - 15993
• a: 11.3807 ± 0.0002 Å
• b: 10.7803 ± 0.0002 Å
• c: 15.5914 ± 0.0002 Å
• α: 90°
• β: 100.059 ± 0.001°
• γ: 90°
• Cell volume: 1883.47 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No