Information card for entry 7101663

Structure parameters

• Formula: C22.75 H36.25 Cl3.25 Cu3 N4 O4.75
• Calculated formula: C22.782 H36.346 Cl3.218 Cu3 N4 O4.782
• 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: 10.283 ± 0.001 Å
• b: 10.941 ± 0.001 Å
• c: 13.382 ± 0.001 Å
• α: 79.52 ± 0.01°
• β: 87.86 ± 0.01°
• γ: 82.82 ± 0.01°
• Cell volume: 1468.7 ± 0.2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No