Information card for entry 1558822

Structure parameters

• Common name: Fe2(bdp)3(DMF)0.58
• Chemical name: Fe2(bdp)3
• Formula: C39.44 H32.02 Fe2 N13.14 O1.15
• Calculated formula: C39.432 H32.008 Fe2 N13.144 O1.144
• Title of publication: Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion
• Authors of publication: Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R.
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 7.0648 ± 0.0004 Å
• b: 26.4382 ± 0.0014 Å
• c: 45.215 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8445.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.8856 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No