Information card for entry 4338849

Structure parameters

• Common name: PNCu(PPh3)2
• Formula: C54 H53 Cu N P3
• Calculated formula: C54 H53 Cu N P3
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](C(C)C)(c2c(N1c1ccccc1)cccc2)C(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Long-lived and efficient emission from mononuclear amidophosphine complexes of copper.
• Authors of publication: Miller, Alexander J. M.; Dempsey, Jillian L.; Peters, Jonas C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7244 - 7246
• a: 10.764 ± 0.002 Å
• b: 18.894 ± 0.004 Å
• c: 22.199 ± 0.004 Å
• α: 90°
• β: 98.135 ± 0.013°
• γ: 90°
• Cell volume: 4469.3 ± 1.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No