Information card for entry 2243985

Structure parameters

• Chemical name: Bis[hexaaquahemiaquapentakis(μ~3~-glycinehydroxamato)sulfatopentacopper(II)terbium(III)] sulfate hexahydrate
• Formula: C20 H78 Cu10 N20 O51 S3 Tb2
• Calculated formula: C20 H78 Cu10 N20 O51 S3 Tb2
• Title of publication: Crystal structure of a Tb^III^–Cu^II^ glycinehydroxamate 15-metallacrown-5 sulfate complex
• Authors of publication: Pavlishchuk, Anna V.; Vasylenko, Inna V.; Zeller, Matthias; Addison, Anthony W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 12
• Pages of publication: 1197 - 1202
• a: 9.637 ± 0.0004 Å
• b: 11.5888 ± 0.0005 Å
• c: 16.2367 ± 0.0006 Å
• α: 99.6716 ± 0.0013°
• β: 91.3031 ± 0.0012°
• γ: 105.312 ± 0.0012°
• Cell volume: 1719.81 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes