Information card for entry 7109494

Structure parameters

• Formula: C44 H36 Cu N5 O P2
• Calculated formula: C44 H36 Cu N5 O P2
• SMILES: [Cu]12([P](c3cc(ccc3Oc3ccc(cc3[P]1(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1)n1nnnc1c1cccc[n]21
• Title of publication: Outstanding luminescence from neutral copper(I) complexes with pyridyl-tetrazolate and phosphine ligands
• Authors of publication: Larissa Bergmann; Jana Friedrichs; Mathias Mydlak; Thomas Baumann; Martin Nieger; Stefan Brase
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6501
• a: 9.3177 ± 0.0007 Å
• b: 18.3378 ± 0.0009 Å
• c: 22.3498 ± 0.0018 Å
• α: 90°
• β: 90.654 ± 0.007°
• γ: 90°
• Cell volume: 3818.6 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No