Information card for entry 4506112

Structure parameters

• Formula: C31.75 H31 Fe N3 O16.75
• Calculated formula: C31.75 H28 Fe N3 O16.75
• Title of publication: Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds
• Authors of publication: Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2684
• a: 9.8454 ± 0.0017 Å
• b: 32.64 ± 0.006 Å
• c: 11.319 ± 0.002 Å
• α: 90°
• β: 111.469 ± 0.004°
• γ: 90°
• Cell volume: 3385 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1862
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No