Information card for entry 7040077

Structure parameters

• Formula: C26 H50 Br4 Cu2 N12
• Calculated formula: C26 H50 Br4 Cu2 N12
• SMILES: c12c([N]([Cu]([N]1=C(N(C)C)N(C)C)(Br)Br)=C(N(C)C)N(C)C)cc1c(c2)[N](=C(N(C)C)N(C)C)[Cu]([N]1=C(N(C)C)N(C)C)(Br)Br
• 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: 9.745 ± 0.002 Å
• b: 15.441 ± 0.003 Å
• c: 15.747 ± 0.003 Å
• α: 90°
• β: 99.3 ± 0.03°
• γ: 90°
• Cell volume: 2338.3 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No