Information card for entry 7223779

Structure parameters

• Chemical name: EuTMBD-AgCl-H2S
• Formula: C54 H68.43 Eu4 O27.22 S18
• Calculated formula: C54 H68.4358 Eu4 O27.2179 S18
• Title of publication: Functional shakeup of metal‒organic frameworks: the rise of the sidekick
• Authors of publication: He, Jun; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 48
• Pages of publication: 9254
• a: 19.8319 ± 0.0012 Å
• b: 19.8319 ± 0.0012 Å
• c: 15.2208 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5184.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No