Information card for entry 7044860

Structure parameters

• Formula: C12 H12 Cu8 N18 Nb3 O56.5 P W9
• Calculated formula: C12 H12 Cu8 N18 Nb3 O56.5 P W9
• Title of publication: Two mixed-addenda Nb/W polyoxometalates-based hybrid compounds containing multicopper units: synthesis, structures, electrochemical and magnetic properties
• Authors of publication: Weng, Zhewei; Ren, Yuanhang; Gu, Min; Yue, Bin; He, Heyong
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 17.588 ± 0.002 Å
• b: 17.588 ± 0.002 Å
• c: 47.567 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14714 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No