Information card for entry 1556618

Structure parameters

• Formula: C17 H26 Br Cu N6
• Calculated formula: C17 H26 Br Cu N6
• SMILES: Br[Cu]1[N](=C2N(CCN2C)C)c2ccccc2C[N]1=C1N(C)CCN1C
• 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: 7.1936 ± 0.001 Å
• b: 12.8127 ± 0.0017 Å
• c: 20.599 ± 0.003 Å
• α: 90°
• β: 93.439 ± 0.002°
• γ: 90°
• Cell volume: 1895.2 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No