Information card for entry 7037110

Structure parameters

• Formula: C46 H76 Cu2 N16 O8
• Calculated formula: C46 H76 Cu2 N16 O8
• SMILES: [Cu]1(OC(=O)C)(OC(=O)C)[N](c2c3c([N]1=C(N(C)C)N(C)C)ccc1[N]([Cu](OC(=O)C)(OC(=O)C)[N](c(c31)cc2)=C(N(C)C)N(C)C)=C(N(C)C)N(C)C)=C(N(C)C)N(C)C.N#CC.N#CC.N#CC.N#CC
• 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: 12.365 ± 0.0004 Å
• b: 12.5243 ± 0.0005 Å
• c: 20.2731 ± 0.0006 Å
• α: 85.405 ± 0.003°
• β: 78.567 ± 0.003°
• γ: 63.473 ± 0.003°
• Cell volume: 2753.17 ± 0.18 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No