Information card for entry 7105580

Structure parameters

• Formula: C48 H38 Cu F2 N P2
• Calculated formula: C48 H38 Cu F2 N P2
• SMILES: N([Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
• Title of publication: Efficient luminescence from easily prepared three-coordinate copper(I) arylamidophosphines.
• Authors of publication: Lotito, Kenneth J.; Peters, Jonas C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 3690 - 3692
• a: 11.0998 ± 0.0019 Å
• b: 21.8 ± 0.004 Å
• c: 16.617 ± 0.004 Å
• α: 90°
• β: 106.574 ± 0.006°
• γ: 90°
• Cell volume: 3853.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No