Information card for entry 7101664

Structure parameters

• Formula: C22 H34 Cl4 Cu3 N4 O4
• Calculated formula: C22 H34 Cl4 Cu3 N4 O4
• SMILES: [Cu]1(Cl)[N](=Cc2c3O[Cu](Oc4c3c(cc2)ccc4C=[N]2[Cu](Cl)[N](CC2)(C)C)(Cl)Cl)CC[N]1(C)C.OC.OC
• Title of publication: A trinucleating ligand based on 1,8-naphthalenediol: synthesis, structural and magnetic properties of a linear Cu(II)Cu(II)Cu(II) complex.
• Authors of publication: Glaser, Thorsten; Liratzis, Ioannis; Fröhlich, Roland; Weyhermüller, Thomas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 356 - 358
• a: 10.1794 ± 0.0005 Å
• b: 10.7731 ± 0.0005 Å
• c: 13.4671 ± 0.0007 Å
• α: 78.786 ± 0.005°
• β: 87.043 ± 0.005°
• γ: 83.44 ± 0.005°
• Cell volume: 1438.52 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No