Information card for entry 1556619

Structure parameters

• Formula: C17 H26 Cl Cu N6
• Calculated formula: C17 H26 Cl Cu N6
• SMILES: C1N(C(N(C1)C)=[N]1[Cu]([N](Cc2c1cccc2)=C1N(CCN1C)C)Cl)C
• Title of publication: Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis
• Authors of publication: Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S.
• Journal of publication: Inorganics
• Year of publication: 2018
• Journal volume: 6
• Pages of publication: 114
• a: 7.1451 ± 0.001 Å
• b: 12.7869 ± 0.0017 Å
• c: 20.53 ± 0.003 Å
• α: 90°
• β: 93.699 ± 0.003°
• γ: 90°
• Cell volume: 1871.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No