Information card for entry 2243853

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(<i>N</i>-methyldiethanolamine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')strontium(II)]-di-μ~2~-isobutyrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']
• Formula: C13 H27 N O6 Sr
• Calculated formula: C13 H27 N O6 Sr
• Title of publication: Synthesis and crystal structure of a one-dimensional chain-like strontium(II) coordination polymer built of <i>N</i>-methyldiethanolamine and isobutyrate ligands
• Authors of publication: Seiss, Maximilian; Schmitz, Sebastian; Börner, Martin; Monakhov, Kirill Yu.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 7
• Pages of publication: 703 - 707
• a: 8.1516 ± 0.0002 Å
• b: 19.1921 ± 0.0006 Å
• c: 11.4288 ± 0.0003 Å
• α: 90°
• β: 99.295 ± 0.002°
• γ: 90°
• Cell volume: 1764.52 ± 0.08 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes