Information card for entry 7109489

Structure parameters

• Formula: C42 H34 Cu N5 P2
• Calculated formula: C42 H34 Cu N5 P2
• 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: 9.0816 ± 0.0002 Å
• b: 18.2546 ± 0.0006 Å
• c: 22.2364 ± 0.0006 Å
• α: 90°
• β: 91.356 ± 0.002°
• γ: 90°
• Cell volume: 3685.34 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.1137
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No