Information card for entry 7207244

Structure parameters

• Formula: C14 H8 Ca O6 S
• Calculated formula: C14 H8 Ca O6 S
• Title of publication: Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability
• Authors of publication: Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1219
• a: 11.7361 ± 0.001 Å
• b: 5.5499 ± 0.0004 Å
• c: 22.819 ± 0.0018 Å
• α: 90°
• β: 100.999 ± 0.004°
• γ: 90°
• Cell volume: 1459 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No