Information card for entry 7037106

Structure parameters

• Formula: C30 H52 Cu2 I8 N12
• Calculated formula: C30 H52 Cu2 I8 N12
• SMILES: I[Cu]1[N](c2ccc3[N]([Cu](I)[N](c4ccc([N]1=C(N(C)C)N(C)C)c2c34)=C(N(C)C)N(C)C)=C(N(C)C)N(C)C)=C(N(C)C)N(C)C.I[I-]I.I[I-]I
• 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: 12.918 ± 0.003 Å
• b: 13.05 ± 0.003 Å
• c: 16.184 ± 0.003 Å
• α: 90°
• β: 112.66 ± 0.03°
• γ: 90°
• Cell volume: 2517.7 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No