Information card for entry 1567294

Structure parameters

• Formula: C30 H40 B2 Cu F8 N8
• Calculated formula: C30 H40 B2 Cu F8 N8
• 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: 17.171 ± 0.003 Å
• b: 8.9412 ± 0.0018 Å
• c: 22.701 ± 0.005 Å
• α: 90°
• β: 108.94 ± 0.03°
• γ: 90°
• Cell volume: 3296.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No