Information card for entry 7216673

Structure parameters

• Formula: C8 H5 Ce K N4 O10.5 S2
• Calculated formula: C8 H5 Ce K N4 O10.5 S2
• Title of publication: Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions
• Authors of publication: Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 44
• Pages of publication: 10181
• a: 18.1735 ± 0.0007 Å
• b: 8.3436 ± 0.0003 Å
• c: 20.5557 ± 0.0008 Å
• α: 90°
• β: 91.699 ± 0.001°
• γ: 90°
• Cell volume: 3115.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No