Information card for entry 7037107

Structure parameters

• Formula: C16 H16 N6
• Calculated formula: C16 H16 N6
• SMILES: n1c2c3c(nc1N(C)C)ccc1nc(nc(cc2)c31)N(C)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: 10.2045 ± 0.0005 Å
• b: 4.3265 ± 0.0002 Å
• c: 15.5492 ± 0.0007 Å
• α: 90°
• β: 98.654 ± 0.005°
• γ: 90°
• Cell volume: 678.68 ± 0.06 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 3
• 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: 0.0936
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2313
• Weighted residual factors for all reflections included in the refinement: 0.2414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No