Information card for entry 7112077

Structure parameters

• Formula: C55 H84 K N3 O4
• Calculated formula: C55 H84 K N3 O4
• Title of publication: 'Janus-type' organopotassium chemistry observed in deprotonation of mesoionic imidazolium aminides and amino N-heterocyclic carbenes: coordination and organometallic polymers
• Authors of publication: Andreas A. Danopoulos; Pierre Braunstein
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3055
• a: 23.271 ± 0.005 Å
• b: 10.689 ± 0.005 Å
• c: 22.097 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5496 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No