Information card for entry 4321104

Structure parameters

• Formula: H227 Mo57 N21 O283 V12
• Calculated formula: Mo57 N6 O275 V12
• Title of publication: (NH4)15[H3Mo57V6(NO)6O189(H2O)12(VO)6].~60H2O: New Nanocompound Obtained by Chemical Embellishment of {M57V6}
• Authors of publication: Wenbin Yang; Xiang Lin; Canzhong Lu; Honghui Zhuang; Jinshun Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2706 - 2707
• a: 23.612 ± 0.003 Å
• b: 23.612 ± 0.003 Å
• c: 26.859 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12968 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No