Information card for entry 1567297

Structure parameters

• Formula: C34 H46 Cu F6 N10 O6 S2
• Calculated formula: C34 H46 Cu F6 N10 O6 S2
• SMILES: [Cu]12([N](=C(N(C)C)N(C)C)c3cccc4c(N(C)C)cc[n]1c34)[N](=C(N(C)C)N(C)C)c1cccc3c(N(C)C)cc[n]2c13.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes
• Authors of publication: Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 28
• Pages of publication: 8274 - 8288
• a: 12.27 ± 0.003 Å
• b: 19.141 ± 0.004 Å
• c: 36.523 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8578 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No