Information card for entry 4504730

Structure parameters

• Chemical name: pentaaquobis(4,4-bipyridine)ethanolsamarium(III) hexaaquo-(mono-protonated-4-4'-bipyridine)ethanolsamarium(III) cobalt (III) bis(dicarbollide) hydrate 4,4-bipyridine ethanol clathrate
• Formula: C178 H341 B144 Co8 N28 O23 Sm2
• Calculated formula: C178 H299 B144 Co8 N28 O23 Sm2
• 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: 13.6449 ± 0.0001 Å
• b: 15.4157 ± 0.0001 Å
• c: 35.635 ± 0.0004 Å
• α: 84.673 ± 0.001°
• β: 89.82 ± 0.001°
• γ: 68.82 ± 0.001°
• Cell volume: 6955.42 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1562
• Residual factor for significantly intense reflections: 0.1414
• Weighted residual factors for significantly intense reflections: 0.3684
• Weighted residual factors for all reflections included in the refinement: 0.3832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No