Information card for entry 7034654

Structure parameters

• Formula: C26 H40 Cl2 Cu2 F6 N8 O6 S2
• Calculated formula: C26 H40 Cl2 Cu2 F6 N8 O6 S2
• SMILES: C1[NH]2CC[N]3(CC[NH]4Cc5cccc(C[NH]6CC[N]7(CC[NH]8Cc9cccc1[n]9[Cu]678Cl)C)[n]5[Cu]234Cl)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Correlation between the molecular structure and the kinetics of decomposition of azamacrocyclic copper(ii) complexes.
• Authors of publication: Acosta-Rueda, Laura; Delgado-Pinar, Estefanía; Pitarch-Jarque, Javier; Rodríguez, Alexis; Blasco, Salvador; González, Jorge; Basallote, Manuel G.; García-España, Enrique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 8255 - 8266
• a: 9.0903 ± 0.0003 Å
• b: 18.9117 ± 0.0006 Å
• c: 13.8692 ± 0.0004 Å
• α: 90°
• β: 128.989 ± 0.002°
• γ: 90°
• Cell volume: 1853.23 ± 0.11 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 8
• 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: 0.0431
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No