Information card for entry 7209785

Structure parameters

• Formula: C96 H96 Cu6 Mo12 N72 O43
• Calculated formula: C96 H96 Cu6 Mo12 N72 O43
• Title of publication: Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties
• Authors of publication: Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 3843
• a: 19.663 ± 0.0003 Å
• b: 19.663 ± 0.0003 Å
• c: 19.663 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7602.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.1915
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No