Information card for entry 7721017

Structure parameters

• Formula: C46 H69 In K N O7.5 S
• Calculated formula: C46 H69 In K N O7.5 S
• Title of publication: Synthesis of Lewis acid-base adducts between trimesityltrieles and potassium cyanate and its heavier homologues
• Authors of publication: Dollberg, Kevin; Lochte, Mark; Weiß, Pauline; Nitzsche, Joel; Mészáros, Katalin; von Hänisch, Carsten; Tambornino, Frank
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 11.8816 ± 0.0006 Å
• b: 12.6343 ± 0.0006 Å
• c: 16.457 ± 0.0008 Å
• α: 73.966 ± 0.002°
• β: 89.996 ± 0.002°
• γ: 85.199 ± 0.002°
• Cell volume: 2365.3 ± 0.2 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No