Information card for entry 7047857

Structure parameters

• Formula: C32 H85 N4 O24.5 S4 V4
• Calculated formula: C32 H84 N4 O24.5 S4 V4
• 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: 21.424 ± 0.006 Å
• b: 11.429 ± 0.003 Å
• c: 21.431 ± 0.006 Å
• α: 90°
• β: 90.541 ± 0.005°
• γ: 90°
• Cell volume: 5247 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1483
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No