Information card for entry 2018427

Structure parameters

• Chemical name: di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)samarium(III)] adenine monosolvate heptahydrate
• Formula: C29 H57 N5 O23 Sm2
• Calculated formula: C29 H57 N5 O23 Sm2
• Title of publication: Two isomorphous lanthanide crotonate complexes: di-μ-but-2-enoato-bis[diaquabis(but-2-enoato)dysprosium(III)] adenine monosolvate heptahydrate and the samarium(II) analogue
• Authors of publication: Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m80 - m84
• a: 10.633 ± 0.003 Å
• b: 10.847 ± 0.003 Å
• c: 11.397 ± 0.003 Å
• α: 73.126 ± 0.004°
• β: 83.926 ± 0.004°
• γ: 61.784 ± 0.005°
• Cell volume: 1107.6 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes