Information card for entry 7245937

Structure parameters

• Formula: C8 H18 F2 N4 O5 S2
• Calculated formula: C8 H18 F2 N4 O5 S2
• Title of publication: Elucidating phase transformation of Eu-based metal organic framework with intermediate isolation and theoretical calculations
• Authors of publication: Liu, Zhiqing; Wu, Ying; Zhong, Yuan-Hui; Chung, Lai-Hon; Liao, Wei-Ming; Yang, Xianghua; He, Jun
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 347 - 351
• a: 16.6143 ± 0.0005 Å
• b: 10.5019 ± 0.0003 Å
• c: 8.8282 ± 0.0003 Å
• α: 90°
• β: 103.725 ± 0.004°
• γ: 90°
• Cell volume: 1496.38 ± 0.08 ų
• Cell temperature: 240.01 ± 0.1 K
• Ambient diffraction temperature: 240.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No