Information card for entry 7047860

Structure parameters

• Formula: C102 H152 N4 O28 S8 V2
• Calculated formula: C102 H152 N4 O28 S8 V2
• 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: 13.459 ± 0.002 Å
• b: 14.92 ± 0.003 Å
• c: 16.674 ± 0.003 Å
• α: 95.233 ± 0.003°
• β: 111.125 ± 0.003°
• γ: 112.613 ± 0.003°
• Cell volume: 2778.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No