Information card for entry 7037109

Structure parameters

• Formula: C23 H34 Cu I4 N9
• Calculated formula: C23 H34 Cu I4 N9
• SMILES: c12ccc3nc(N(C)C)nc4c3c1c(cc4)=[N]([Cu](I)[N]2=C(N(C)C)N(C)C)C(=[N+](C)C)N(C)C.[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: 12.27369 ± 0.00016 Å
• b: 12.65803 ± 0.00014 Å
• c: 20.9347 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3252.43 ± 0.07 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No