Information card for entry 1573566

Structure parameters

• Formula: C60 H81 B3 N6 O
• Calculated formula: C60 H81 B3 N6 O
• Title of publication: Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.
• Authors of publication: Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 2231 - 2237
• a: 22.2498 ± 0.0001 Å
• b: 13.5031 ± 0.0001 Å
• c: 37.4373 ± 0.0002 Å
• α: 90°
• β: 99.081 ± 0.001°
• γ: 90°
• Cell volume: 11106.7 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.046
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No