Information card for entry 4313434

Structure parameters

• Chemical name: nona-aqua-europium(III)cobalt(III) bis(dicarbollide) cyclotriveratrylene hydrate acetonitrile clathrate
• Formula: C191 H337.5 B81 Co4.5 Eu1.5 N5.5 O57
• Calculated formula: C191 H295.5 B81 Co4.5 Eu1.5 N5.5 O57
• Title of publication: Hydrogen-Bonded Superstructures of a Small Host Molecule and Lanthanide Aquo Ions
• Authors of publication: Ruksanna Ahmad; Ina Dix; Michaele J. Hardie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2182 - 2184
• a: 54.59 ± 0.002 Å
• b: 37.5788 ± 0.0017 Å
• c: 31.8067 ± 0.0014 Å
• α: 90°
• β: 116.573 ± 0.002°
• γ: 90°
• Cell volume: 58357 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1747
• Residual factor for significantly intense reflections: 0.1367
• Weighted residual factors for significantly intense reflections: 0.4013
• Weighted residual factors for all reflections included in the refinement: 0.4421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No