Information card for entry 4331981

Structure parameters

• Formula: C18 H42 N4 O24 V3
• Calculated formula: C18 H42 N4 O24 V3
• SMILES: C([N]12[V]34([N](CC(=O)O3)(CC(=O)O4)CC1)(OC(=O)C2)=O)C[N]12CC[N]34CC(=O)O[V]24(OC(=O)C3)(OC(=O)C1)=O.[OH2][V](O)([OH2])([OH2])(O)[OH2].O.O.O.O
• Title of publication: Construction of 3d−4f Mixed-Metal Complexes Based on a Binuclear Oxovanadium Unit: Synthesis, Crystal Structure, EPR, and Magnetic Properties
• Authors of publication: Shi, Wei; Chen, Xiao-Yan; Zhao, Bin; Yu, Ao; Song, Hai-Bin; Cheng, Peng; Wang, Hong-Gen; Liao, Dai-Zheng; Yan, Shi-Ping
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 3949 - 3957
• a: 6.879 ± 0.002 Å
• b: 21.636 ± 0.007 Å
• c: 11.043 ± 0.003 Å
• α: 90°
• β: 95.128 ± 0.005°
• γ: 90°
• Cell volume: 1637 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No