Information card for entry 7110444

Structure parameters

• Formula: C60 H872 Mo132 N42 Na30 O814
• Calculated formula: C30 Mo132 O694
• Title of publication: A hydrogen-bonded cluster with ‘onion-type’ structure, encapsulated and induced by a spherical cluster shell: [(H2O)n⊂ MoVI72MoV60O372(HCO2)30(H2O)72]42−
• Authors of publication: Müller, Achim; Fedin, Vladimir P.; Kuhlmann, Christoph; Bögge, Hartmut; Schmidtmann, Marc
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 927
• a: 32.4214 ± 0.001 Å
• b: 32.4214 ± 0.001 Å
• c: 73.249 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 66680 ± 4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections: 0.3061
• Weighted residual factors for significantly intense reflections: 0.2237
• Goodness-of-fit parameter for all reflections: 0.992
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No