Information card for entry 7047863

Structure parameters

• Formula: C30 H82 N5 O26 S4 V5
• Calculated formula: C30 H80 N5 O26 S4 V5
• 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: 13.2439 ± 0.0004 Å
• b: 13.3679 ± 0.0004 Å
• c: 31.3605 ± 0.001 Å
• α: 90°
• β: 100.444 ± 0.0005°
• γ: 90°
• Cell volume: 5460.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No