Information card for entry 4131940

Structure parameters

• Formula: C67 H116 Ce I2 Li N6 O2
• Calculated formula: C67 H116 Ce I2 Li N6 O2
• Title of publication: Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.
• Authors of publication: Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 13
• Pages of publication: 4588 - 4595
• a: 20.8203 ± 0.0017 Å
• b: 15.8035 ± 0.0012 Å
• c: 20.8531 ± 0.0018 Å
• α: 90°
• β: 90.547 ± 0.003°
• γ: 90°
• Cell volume: 6861.1 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0745
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No