Information card for entry 7125480

Structure parameters

• Common name: [Y0.5Na0.5(H2O)8](H2O)4[(CH3CN)(CTV)][Co(C2B9H11)2]2
• Chemical name: octaaquoyttrium/sodium tetra(cyclotriveratrylene)tetrahydrate [cobalt(III)bis(dicarbollide)] acetonitrile clathrate
• Formula: C31 H50 B9 Co0.5 N Na0.125 O9 Y0.125
• Calculated formula: C31 H46 B9 Co0.5 N Na0.125 O9 Y0.125
• Title of publication: A 3,12-connected vertice sharing adamantoid hydrogen bonded network featuring tetrameric clusters of cyclotriveratrylene.
• Authors of publication: Hardie, M. J.; Raston, C. L.; Salinas, A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2001
• Journal issue: 18
• Pages of publication: 1850 - 1851
• a: 17.6918 ± 0.0003 Å
• b: 17.6918 ± 0.0003 Å
• c: 23.7339 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7428.7 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No