Information card for entry 4333354

Structure parameters

• Formula: C50 H37 Cu N3 P
• Calculated formula: C50 H37 Cu N3 P
• SMILES: c1ccccc1c1cc(c2=Nc3c(cc(c4ccccc4)n3[Cu]([n]12)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Luminescent, Three-Coordinate Azadipyrromethene Complexes of d10Copper, Silver, and Gold
• Authors of publication: Teets, Thomas S.; Partyka, David V.; Esswein, Arthur J.; Updegraff, James B.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6218 - 6220
• a: 12.2778 ± 0.0008 Å
• b: 12.9304 ± 0.0008 Å
• c: 23.6398 ± 0.0015 Å
• α: 90°
• β: 92.554 ± 0.001°
• γ: 90°
• Cell volume: 3749.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No