Information card for entry 7216681

Structure parameters

• Formula: C16 H14 Ce2 K2 N4 O21 S2
• Calculated formula: C16 H12 Ce2 K2 N4 O21 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: 8.2471 ± 0.0012 Å
• b: 10.2753 ± 0.0014 Å
• c: 10.915 ± 0.002 Å
• α: 102.534 ± 0.003°
• β: 109.195 ± 0.003°
• γ: 112.16 ± 0.002°
• Cell volume: 745 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No