Information card for entry 1567290

Structure parameters

• Formula: C41 H58 Cl2 Cu F6 N8 P
• Calculated formula: C41 H58 Cl2 Cu F6 N8 P
• 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: 13.117 ± 0.003 Å
• b: 13.265 ± 0.003 Å
• c: 15.609 ± 0.003 Å
• α: 73.5 ± 0.03°
• β: 76.04 ± 0.03°
• γ: 61.06 ± 0.03°
• Cell volume: 2261.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No