Information card for entry 7040078

Structure parameters

• Formula: C26 H50 Cl4 Cu2 N12
• Calculated formula: C26 H50 Cl4 Cu2 N12
• SMILES: c12c([N](=C(N(C)C)N(C)C)[Cu]([N]1=C(N(C)C)N(C)C)(Cl)Cl)cc1c(c2)[N](=C(N(C)C)N(C)C)[Cu]([N]1=C(N(C)C)N(C)C)(Cl)Cl
• Title of publication: The control of the electronic structure of dinuclear copper complexes of redox-active tetrakisguanidine ligands by the environment.
• Authors of publication: Wiesner, Sven; Wagner, Arne; Kaifer, Elisabeth; Himmel, Hans-Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15828 - 15839
• a: 6.535 ± 0.0013 Å
• b: 20.853 ± 0.004 Å
• c: 13.101 ± 0.003 Å
• α: 90°
• β: 98.89 ± 0.03°
• γ: 90°
• Cell volume: 1763.9 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No