Information card for entry 4504729

Structure parameters

• Chemical name: octaaquo-4,4'-bipyridinecerium(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine ethanol clathrate
• Formula: C148 H289 B108 Ce2 Co6 N23 O28
• Calculated formula: C148 H227.5 B108 Ce2 Co6 N23 O27.5
• Title of publication: Hydrogen-Bonded 3-D Network Structures of Lanthanide Aquo Ions and 4,4‘-Bipyridine with Carbaborane Anions
• Authors of publication: Cunha-Silva, Luis; Westcott, Aleema; Whitford, Nina; Hardie, Michaele J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 726
• a: 21.0823 ± 0.0001 Å
• b: 32.108 ± 0.0003 Å
• c: 35.4399 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23989.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No