Information card for entry 4126712

Structure parameters

• Common name: {(Boryl)Sm[C(O)]Cl2(THF)2LiCl(THF)2}
• Formula: C43 H68 B Cl3 Li N2 O5 Sm
• Calculated formula: C43 H68 B Cl3 Li N2 O5 Sm
• Title of publication: Cooperative Trimerization of Carbon Monoxide by Lithium and Samarium Boryls.
• Authors of publication: Wang, Baoli; Luo, Gen; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.858 ± 0.004 Å
• b: 12.779 ± 0.005 Å
• c: 35.995 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4994 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No