Information card for entry 1556621

Structure parameters

• Formula: C36 H52 Cu2 F6 N12 O6 S2
• Calculated formula: C36 H52 Cu2 F6 N12 O6 S2
• SMILES: [Cu]12[Cu]([N](c3c(C[N]1=C1N(C)CCN1C)cccc3)=C1N(CCN1C)C)[N](Cc1ccccc1[N]2=C1N(C)CCN1C)=C1N(C)CCN1C.FC(S(=O)(=O)[O-])(F)F.S(=O)(=O)([O-])C(F)(F)F
• 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: 13.8689 ± 0.0018 Å
• b: 14.0995 ± 0.0018 Å
• c: 14.6916 ± 0.0019 Å
• α: 112.944 ± 0.002°
• β: 96.288 ± 0.002°
• γ: 112.879 ± 0.002°
• Cell volume: 2319.2 ± 0.5 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: 0.061
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No