Information card for entry 4504728

Structure parameters

• Chemical name: octaaquo-4,4'-bipyridinelanthanum(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine ethanol clathrate
• Formula: C147 H299 B108 Co8 La2 N24 O32.5
• Calculated formula: C147 H229 B108 Co6 La2 N24 O32.5
• 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: 20.9619 ± 0.0002 Å
• b: 32.1632 ± 0.0002 Å
• c: 35.4247 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23883.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1098
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.2294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No