Information card for entry 7047861

Structure parameters

• Formula: C108 H153 N6 O10 V
• Calculated formula: C108 H153 N6 O10 V
• 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: 16.7286 ± 0.0007 Å
• b: 18.2453 ± 0.0008 Å
• c: 18.7113 ± 0.0013 Å
• α: 101.228 ± 0.007°
• β: 105.15 ± 0.007°
• γ: 105.573 ± 0.007°
• Cell volume: 5090.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No