Information card for entry 1561842

Structure parameters

• Formula: C36 H45 Cl12 I2 N7
• Calculated formula: C36 H45 Cl12 I2 N7
• 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: 12.486 ± 0.002 Å
• b: 27.199 ± 0.003 Å
• c: 13.881 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4714.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.135
• 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