Information card for entry 7027173

Structure parameters

• Formula: C4 H15 Cu N3 O7 V2
• Calculated formula: C4 H15 Cu N3 O7 V2
• Title of publication: One- and two-dimensional materials containing vanadium oxide: structures and magnetic properties of Cu(dien)V2O6·H2O and Ni(dien)V2O6 (dien = diethylenetriamine) †
• Authors of publication: Zheng, Li-Min; Zhao, Jie-Shou; Lii, Kwang-Hwa; Zhang, Li-Yi; Liu, Yang; Xin, Xin-Quan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 6
• Pages of publication: 939
• a: 8.0144 ± 0.0003 Å
• b: 9.7028 ± 0.0004 Å
• c: 16.23 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1262.08 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.0649
• Goodness-of-fit parameter for all reflections: 0.987
• Goodness-of-fit parameter for significantly intense reflections: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No