Information card for entry 7034598

Structure parameters

• Formula: C16 H63.33 N9 O27.67 S4.67 V5
• Calculated formula: C15.9999 H63.832 N9 O27.6667 S4.66667 V5
• Title of publication: A new vanadium sulfate with ferrimagnetic and NLO properties constructed from novel discrete umbrella-like [V(V)(μ3-O)4V(IV)4O5(SO4)4(en)](5-) anions.
• Authors of publication: Zhou, Shuai; Wan, Hongxiang; Hu, Gonghao; Zhang, Yu; Liu, Ying; Miao, Hao; Zhu, Dunru; Xu, Yan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 8605 - 8608
• a: 20.4115 ± 0.0017 Å
• b: 20.4115 ± 0.0017 Å
• c: 25.444 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9180.5 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No