Information card for entry 4309448

Structure parameters

• Formula: C40 H88 B4 N2 Yb
• Calculated formula: C40 H88 B4 N2 Yb
• SMILES: [N+](C)(C)(C)C.[B]12(C3CCCC2CCC3)[H][Yb]234([H][B]5(C6CCCC5CCC6)[H]2)([H]1)([H][B]1(C2CCCC1CCC2)[H]3)[H][B]1(C2CCCC1CCC2)[H]4.[N+](C)(C)(C)C
• 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: 10.6239 ± 0.001 Å
• b: 20.1448 ± 0.001 Å
• c: 20.7248 ± 0.001 Å
• α: 90°
• β: 102.72°
• γ: 90°
• Cell volume: 4326.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0247
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No