Information card for entry 1558823

Structure parameters

• Common name: Na0.5Fe2(bdp)3
• Chemical name: Na0.5Fe2(bdp)3
• Formula: C36 H24 Fe2 N12 Na0.51
• Calculated formula: C36 H24 Fe2 N12 Na0.492
• 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: 7.0813 ± 0.0016 Å
• b: 26.493 ± 0.007 Å
• c: 45.483 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8533 ± 4 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: 0.0674
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No