Information card for entry 4312463

Structure parameters

• Formula: C24 H16 N4 O7 Se V2
• Calculated formula: C24 H16 N4 O7 Se V2
• SMILES: [V]123(O[V]4(O1)(O[Se](O2)=O)(=O)[n]1cccc2c1c1[n]4cccc1cc2)(=O)[n]1cccc2c1c1[n]3cccc1cc2
• Title of publication: Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of Inorganic-Organic Hybrid Vanadium Selenites with Zero- to Three-Dimensional Structures: (1,10-Phenanthroline)2V2SeO7, (2,2'-Bipyridine)VSeO4, (4,4'-Bipyridine)V2Se2O8, and (4,4'-Bipyridine)2V4Se3O15.H2O
• Authors of publication: Zhimin Dai; Zhan Shi; Guanghua Li; Dong Zhang; Wensheng Fu; Haiying Jin; Wei Xu; Shouhua Feng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7396 - 7402
• a: 8.6509 ± 0.0003 Å
• b: 7.8379 ± 0.0002 Å
• c: 34.0998 ± 0.0013 Å
• α: 90°
• β: 91.503 ± 0.002°
• γ: 90°
• Cell volume: 2311.34 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No