Information card for entry 7041412

Structure parameters

• Formula: C30 H28 Cu F5 N2 O2
• Calculated formula: C30 H28 Cu F5 N2 O2
• SMILES: [Cu](=C1N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)C)C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis and characterization of phosphorescent two-coordinate copper(i) complexes bearing diamidocarbene ligands.
• Authors of publication: Shi, Shuyang; Collins, Lee R.; Mahon, Mary F.; Djurovich, Peter I.; Thompson, Mark E.; Whittlesey, Michael K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 745 - 752
• a: 11.5448 ± 0.0004 Å
• b: 11.702 ± 0.0005 Å
• c: 12.1276 ± 0.0005 Å
• α: 114.8 ± 0.004°
• β: 98.962 ± 0.003°
• γ: 104.386 ± 0.003°
• Cell volume: 1376.26 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No