Information card for entry 1550874

Structure parameters

• Formula: C56 H56 N4 Na2 P2
• Calculated formula: C56 H56 N4 Na2 P2
• SMILES: P1(=[N]([C@@H](c2ccccc2)C)[Na]2[N]3(P(c4ccccc4)(c4ccccc4)=[N]2([Na]3N1[C@@H](c1ccccc1)C)[C@@H](c1ccccc1)C)[C@@H](c1ccccc1)C)(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: 11.854 ± 0.002 Å
• b: 18.092 ± 0.004 Å
• c: 12.986 ± 0.003 Å
• α: 90°
• β: 116.13 ± 0.03°
• γ: 90°
• Cell volume: 2500.4 ± 1.1 ų
• Cell temperature: 210 K
• Ambient diffraction temperature: 210 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No