Information card for entry 1564913

Structure parameters

• Formula: C11 H11 Fe N O5
• Calculated formula: C11 H11 Fe N O5
• 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: 19.4334 ± 0.0019 Å
• b: 7.2431 ± 0.0007 Å
• c: 8.7675 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1234.1 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No