Information card for entry 1567295

Structure parameters

• Formula: C42 H56 Cu F6 N8 O6 S2
• Calculated formula: C42 H56 Cu F6 N8 O6 S2
• SMILES: C(=[N]1c2cccc3c2[n]([Cu]21[N](=C(N(C)C)N(C)C)c1cccc4c1[n]2c(cc4)C1CCCCC1)c(cc3)C1CCCCC1)(N(C)C)N(C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• 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: 12.407 ± 0.003 Å
• b: 21.571 ± 0.004 Å
• c: 16.723 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4475.6 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No