Information card for entry 1550876

Structure parameters

• Formula: C56 H56 Li2 N4 P2
• Calculated formula: C56 H56 Li2 N4 P2
• SMILES: P1(=[N]([C@H](C)c2ccccc2)[Li]2[N]3(=P([N]2([C@H](C)c2ccccc2)[Li]3N1[C@H](C)c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](C)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence
• Authors of publication: Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.
• Journal of publication: Chemical Science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 18
• Pages of publication: 4742 - 4749
• a: 12.7 ± 0.003 Å
• b: 12.756 ± 0.003 Å
• c: 43.4 ± 0.009 Å
• α: 81.58 ± 0.03°
• β: 88.39 ± 0.03°
• γ: 60.36 ± 0.03°
• Cell volume: 6037 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No