Information card for entry 4309447

Structure parameters

• Formula: C48 H104 B4 Eu N2 O2
• Calculated formula: C48 H104 B4 Eu N2 O2
• SMILES: [N+](C)(C)(C)C.B1([H][Eu]2345([H][B]6(C7CCCC6CCC7)[H]2)([H][B]2(C6CCCC2CCC6)[H]3)[H][B]2([H]4)C3CCCC2CCC3)([H]5)C2CCCC1CCC2.C1OCCC1.[N+](C)(C)(C)C.C1CCCO1
• 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: 32.3315 ± 0.0003 Å
• b: 17.2577 ± 0.0002 Å
• c: 19.4755 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10866.7 ± 0.2 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No