Information card for entry 4504731

Structure parameters

• Chemical name: hexaaquobis(4,4'-bipyridine)gadolinium(III) heptaaquo-4,4'-bipyridinegadolinium(III) cobalt(III) bis(dicarbollide) hydrate 4,4-bipyridine mono-protonated 4,4-bipyridine ethanol clathrate
• Formula: C274 H531 B216 Co12 Gd3 N42 O32
• Calculated formula: C274 H481 B216 Co12 Gd3 N42 O32
• 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: 13.6324 ± 0.0001 Å
• b: 25.8631 ± 0.0002 Å
• c: 54.1286 ± 0.0004 Å
• α: 97.36 ± 0.001°
• β: 95.38 ± 0.01°
• γ: 94.85 ± 0.01°
• Cell volume: 18753.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1604
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No