Information card for entry 4309446

Structure parameters

• Formula: C64 H128 B4 K2 O8 Yb
• Calculated formula: C64 H128 B4 K2 O8 Yb
• SMILES: [B]12([H][Yb]345([H]2)([H][B]2(C6CCCC2CCC6)[H]4)([H][B]2(C4CCCC2CCC4)[H]5)[H][B]2(C4CCCC2CCC4)[H]3)C2CCCC1CCC2.[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Europium(II) and Ytterbium(II) Cyclic Organohydroborates with Agostic Interactions
• Authors of publication: Xuenian Chen; Soyoung Lim; Christine E. Plečnik; Shengming Liu; Bin Du; Edward A. Meyers; Sheldon G. Shore
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6052 - 6061
• a: 13.3634 ± 0.0001 Å
• b: 13.3634 ± 0.0001 Å
• c: 20.2053 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3608.27 ± 0.04 ų
• Cell temperature: 473 ± 2 K
• Ambient diffraction temperature: 473 ± 2 K
• Number of distinct elements: 6
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No