Information card for entry 7043260

Structure parameters

• Formula: C24 H32 Cl2 Cu N6 O9
• Calculated formula: C24 H32 Cl2 Cu N6 O9
• SMILES: C12CC3CC(C1)[NH]1Cc4cccc[n]4[Cu]451([NH]2Cc1cccc[n]41)[NH]3Cc1cccc[n]51.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Tailoring the local environment around metal ions: solution chemical and structural study of some multidentate tripodal ligands
• Authors of publication: Matyuska, Ferenc; Szorcsik, Attila; Nagy, Nora V.; Dancs, Ágnes; Kováts, Éva; Benyei, Attila; Gajda, Tamás
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.5315 ± 0.0016 Å
• b: 14.2 ± 0.006 Å
• c: 24.011 ± 0.006 Å
• α: 90°
• β: 99.23 ± 0.01°
• γ: 90°
• Cell volume: 2871.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1048
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No