Information card for entry 2018135

Structure parameters

• Chemical name: hexaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)praseodymium(III) heptaaquapentakis[μ~3~- glycinehydroxamato(2-)]sulfatopentacopper(II)praseodymium(III) sulfate hexahydrate
• Formula: C20 H78 Cu10 N20 O51 Pr2 S3
• Calculated formula: C20 H78 Cu10 N20 O51 Pr2 S3
• Title of publication: Structural trends in a series of isostructural lanthanide‒copper metallacrown sulfates (Ln^III^ = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) heptaaquapentakis[μ~3~-glycinehydroxamato(2{-})]sulfatopentacopper(II)lanthanide(III) sulfate hexahydrate
• Authors of publication: Pavlishchuk, Anna V.; Kolotilov, Sergey V.; Fritsky, Igor O.; Zeller, Matthias; Addison, Anthony W.; Hunter, Allen D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m255 - m265
• a: 9.6649 ± 0.0017 Å
• b: 11.578 ± 0.002 Å
• c: 16.279 ± 0.003 Å
• α: 99.518 ± 0.002°
• β: 91.296 ± 0.002°
• γ: 105.156 ± 0.002°
• Cell volume: 1729.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No