Information card for entry 7037111

Structure parameters

• Formula: C31 H52 Cl2 F12 N12 P2
• Calculated formula: C31 H52 Cl2 F12 N12 P2
• 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: 12.794 ± 0.003 Å
• b: 8.002 ± 0.0016 Å
• c: 21.272 ± 0.004 Å
• α: 90°
• β: 96.49 ± 0.03°
• γ: 90°
• Cell volume: 2163.8 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No