Information card for entry 7037108

Structure parameters

• Formula: C34 H58 Br4 Cu2 N14
• Calculated formula: C34 H58 Br4 Cu2 N14
• SMILES: c12c3ccc4c1c(ccc2[N]([Cu](Br)(Br)[N]3=C(N(C)C)N(C)C)=C(N(C)C)N(C)C)[N](=C(N(C)C)N(C)C)[Cu]([N]4=C(N(C)C)N(C)C)(Br)Br.C(#N)C.C(#N)C
• Title of publication: Counter-ligand control of the electronic structure in dinuclear copper-tetrakisguanidine complexes.
• Authors of publication: Ziesak, Alexandra; Wesp, Tobias; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19111 - 19125
• a: 12.416 ± 0.003 Å
• b: 15.494 ± 0.003 Å
• c: 12.116 ± 0.002 Å
• α: 90°
• β: 102.09 ± 0.03°
• γ: 90°
• Cell volume: 2279.1 ± 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: 0.0587
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No