Information card for entry 1564910

Structure parameters

• Formula: C24 H15 Br3 Fe3 O16
• Calculated formula: C24 Br3 Fe3 O16
• Title of publication: Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.
• Authors of publication: Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.
• Journal of publication: Materials horizons
• Year of publication: 2021
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 3377 - 3386
• a: 16.3069 ± 0.0011 Å
• b: 16.3069 ± 0.0011 Å
• c: 52.852 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14054.1 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.248
• Weighted residual factors for all reflections included in the refinement: 0.2759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No