Information card for entry 1573564

Structure parameters

• Formula: C45 H52.4 B2 K N3 O2
• Calculated formula: C33 H40.4 B2 K N3 O2
• 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: 22.7178 ± 0.0007 Å
• b: 22.7178 ± 0.0007 Å
• c: 15.9414 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8227.3 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No