Information card for entry 7217356

Structure parameters

• Formula: C12 H23 N Nd O9 S3
• Calculated formula: C12 H19 N Nd O9 S3
• Title of publication: Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid
• Authors of publication: Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 30
• Pages of publication: 6963
• a: 9.14 ± 0.0005 Å
• b: 11.1538 ± 0.0003 Å
• c: 11.2716 ± 0.0006 Å
• α: 77.261 ± 0.003°
• β: 68.453 ± 0.005°
• γ: 78.843 ± 0.003°
• Cell volume: 1034.43 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7215849
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No