Information card for entry 7111332

Structure parameters

• Formula: C30 H96 K Mo18 N10 O86 P6
• Calculated formula: C30 H96 K Mo18 N10 O86 P6
• Title of publication: The three-electron heteropoly blue [P6Mo18O73]11? with a basket-shaped skeletonElectronic supplementary information (ESI) available: UV-vis and EPR spectra, magnetic data, and plot of the arrays of clusters of 1. See http://www.rsc.org/suppdata/cc/b4/b405931j/
• Authors of publication: Zhang, Xian-Ming; Wu, Hai-Shun; Zhang, Fu-Qiang; Prikhod'ko, Alexander; Kuwata, Shigemasa; Comba, Peter
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 18
• Pages of publication: 2046 - 2047
• a: 25.375 ± 0.004 Å
• b: 20.003 ± 0.003 Å
• c: 19.7 ± 0.003 Å
• α: 90°
• β: 96.261 ± 0.002°
• γ: 90°
• Cell volume: 9940 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No