Information card for entry 4112512

Structure parameters

• Formula: C52 H46 B3 Li O13 Th
• Calculated formula: C52 H46 B3 Li O13 Th
• Title of publication: Formation of Inclusion Organoactinide Complexes with Boron-Containing Macrocycles
• Authors of publication: Eyal Barnea; Tamer Andrea; Moshe Kapon; Moris S. Eisen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5066 - 5067
• a: 17.192 ± 0.0005 Å
• b: 16.451 ± 0.0005 Å
• c: 18.7 ± 0.0006 Å
• α: 90°
• β: 111.166 ± 0.0013°
• γ: 90°
• Cell volume: 4932 ± 0.3 ų
• Cell temperature: 230 ± 0.2 K
• Ambient diffraction temperature: 230 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No