Information card for entry 1550875

Structure parameters

• Formula: C56 H56 K2 N4 P2
• Calculated formula: C56 H56 K2 N4 P2
• SMILES: [K]1[N](=P(N([K][N](=P(c2ccccc2)(c2ccccc2)N1[C@@H](c1ccccc1)C)[C@@H](c1ccccc1)C)[C@@H](c1ccccc1)C)(c1ccccc1)c1ccccc1)[C@H](C)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: 12.481 ± 0.003 Å
• b: 13.11 ± 0.003 Å
• c: 30.547 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4998.3 ± 1.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No