Information card for entry 7060559

Structure parameters

• Formula: C50 H40 Cu I N2 O P2
• Calculated formula: C50 H40 Cu I N2 O P2
• SMILES: I[Cu]1([P](c2cccc3n(c([n]1c23)c1cccc(OC)c1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Efficiently luminescent mononuclear copper iodide complexes with sterically hindered iminephosphine chelating ligands
• Authors of publication: Zhang, Bin; Zhang, Jie; Sun, Ahui; Liu, Chunmei; Gu, Mengsi; Chen, Yahui; Wei, Bin; Du, Chenxia
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 8763 - 8768
• a: 17.5705 ± 0.0019 Å
• b: 10.9974 ± 0.001 Å
• c: 22.067 ± 0.002 Å
• α: 90°
• β: 96.709 ± 0.004°
• γ: 90°
• Cell volume: 4234.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No