Information card for entry 1567287

Structure parameters

• Formula: C31 H40 Cu F3 N8 O3 S
• Calculated formula: C31 H40 Cu F3 N8 O3 S
• 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: 22.769 ± 0.005 Å
• b: 10.613 ± 0.002 Å
• c: 42.709 ± 0.017 Å
• α: 90°
• β: 90.75 ± 0.03°
• γ: 90°
• Cell volume: 10320 ± 5 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No