Information card for entry 4126714

Structure parameters

• Common name: {[(Boryl)2(C4O4)]Li2(THF)4}
• Formula: C84 H128 B2 Li2 N4 O11
• Calculated formula: C84 H115 B2 Li2 N4 O11
• 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: 10.5952 ± 0.0005 Å
• b: 38.7321 ± 0.0017 Å
• c: 20.711 ± 0.0011 Å
• α: 90°
• β: 103.137 ± 0.005°
• γ: 90°
• Cell volume: 8276.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2407
• Weighted residual factors for all reflections included in the refinement: 0.272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No