Information card for entry 7056534

Structure parameters

• Common name: DDL-JE10_55
• Formula: C15 H12 Er O9 S3
• Calculated formula: C15 H12 Er O9 S3
• Title of publication: Nitroaromatic sensing with a new lanthanide coordination polymer [Ln2(C10H4O4S2)3(H2O)6]n (Ln = Sm-Yb) assembled by 2,2’-bithiophene-5,5’-dicarboxylate
• Authors of publication: Einkauf, Jeffrey D.; Ortega, Raul E.; Mathivathanan, Logesh; de Lill, Daniel T.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 10929 - 10934
• a: 7.7389 ± 0.0005 Å
• b: 9.6787 ± 0.0006 Å
• c: 13.1985 ± 0.0008 Å
• α: 81.999 ± 0.002°
• β: 75 ± 0.001°
• γ: 75.514 ± 0.002°
• Cell volume: 921.62 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No