Information card for entry 7112079

Structure parameters

• Formula: C41 H56 K N3 O
• Calculated formula: C41 H56 K N3 O
• SMILES: [C]1N(C=C(N1c1c(cccc1C(C)C)C(C)C)N(c1ccc(cc1)C(C)(C)C)[K][O]1CCCC1)c1c(cccc1C(C)C)C(C)C
• 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: 15.3219 ± 0.0005 Å
• b: 14.8804 ± 0.0004 Å
• c: 21.081 ± 0.0005 Å
• α: 90°
• β: 126.43 ± 0.002°
• γ: 90°
• Cell volume: 3867.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No