Information card for entry 7216682

Structure parameters

• Formula: C12 H4 La2 N6 O14 S3
• Calculated formula: C12 La2 N6 O14 S3
• 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: 7.0404 ± 0.0003 Å
• b: 13.0015 ± 0.0006 Å
• c: 13.7338 ± 0.0006 Å
• α: 90°
• β: 100.881 ± 0.001°
• γ: 90°
• Cell volume: 1234.53 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No