Information card for entry 7116905

Structure parameters

• Chemical name: bis(tetramethylammonium) tetrakis(μ3-4-ethinylsalicylhydroxamato-N,O,O,O',O'')-penta-copper(II) dihydrate
• Formula: C44 H44 Cu5 N6 O14
• Calculated formula: C44 H40 Cu5 N6 O14
• Title of publication: Rational linkage of magnetic molecules using click chemistry
• Authors of publication: Christian Plenk; Jasmin Krause; Martin Beck; Eva Rentschler
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 6524
• a: 6.2137 ± 0.0014 Å
• b: 16.2226 ± 0.0036 Å
• c: 22.6452 ± 0.0048 Å
• α: 90°
• β: 91.2531 ± 0.0053°
• γ: 90°
• Cell volume: 2282.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No