Information card for entry 4321147

Structure parameters

• Formula: H668 M Na6 O814 P R6
• Calculated formula: Mo120 O613 Pr6
• Title of publication: Influencing the Size of Giant Rings by Manipulating Their Curvatures: Na6[Mo120O366(H2O)48H12{Pr(H2O)5}6].(~200H2O) with Open Shell Metal Centers at the Cluster Surface
• Authors of publication: Achim Müller; Christian Beugholt; Hartmut Bögge; Marc Schmidtmann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3112 - 3113
• a: 27.7201 ± 0.001 Å
• b: 38.5569 ± 0.0014 Å
• c: 65.349 ± 0.002 Å
• α: 90°
• β: 99.937 ± 0.001°
• γ: 90°
• Cell volume: 68797 ± 4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.194
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.2609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No