Information card for entry 1561843

Structure parameters

• Formula: C80 H116 I4 Li6 N14 O4
• Calculated formula: C80 H116 I4 Li6 N14 O4
• Title of publication: Bright Luminescent Lithium and Magnesium Carbene Complexes
• Authors of publication: Pinter, Piermaria; Schuesslbauer, Christoph; Watt, Fabian A.; Dickmann, Nicole; Herbst-Irmer, Regine; Morgenstern, Bernd; Gruenwald, Annette; Ullrich, Tobias; Zimmer, Michael; Hohloch, Stephan; Guldi, Dirk M.; Munz, Dominik
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 14.6296 ± 0.0004 Å
• b: 18.3265 ± 0.0004 Å
• c: 16.323 ± 0.0004 Å
• α: 90°
• β: 93.471 ± 0.001°
• γ: 90°
• Cell volume: 4368.32 ± 0.19 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No