Information card for entry 4506108

Structure parameters

• Formula: C29.89 H27 Fe N4 O13.77
• Calculated formula: C29.8862 H23 Fe N4 O13.7724
• 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: 9.9383 ± 0.0015 Å
• b: 11.9425 ± 0.0018 Å
• c: 13.675 ± 0.002 Å
• α: 101.756 ± 0.003°
• β: 101.914 ± 0.003°
• γ: 101.952 ± 0.003°
• Cell volume: 1501.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No