Information card for entry 7249364

Structure parameters

• Chemical name: MIL100(Fe)
• Formula: C25.5 H8.5 Fe4.25 O22.67
• Calculated formula: C25.5 H8.5 Fe4.25 O22.6667
• Title of publication: Elucidating metal–organic framework structures using synchrotron serial crystallography
• Authors of publication: De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 39
• Pages of publication: 5644 - 5654
• a: 72.89 ± 0.16 Å
• b: 72.89 ± 0.16 Å
• c: 72.89 ± 0.16 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 387261 ± 15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.826 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No