Information card for entry 7027172

Structure parameters

• Formula: C4 H13 N3 Ni O6 V2
• Calculated formula: C4 H13 N3 Ni O6 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: 7.377 ± 0.0001 Å
• b: 8.093 ± 0.0001 Å
• c: 10.235 ± 0.0001 Å
• α: 101.807 ± 0.001°
• β: 102.801 ± 0.001°
• γ: 98.831 ± 0.001°
• Cell volume: 570.458 ± 0.013 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.0696
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No