Information card for entry 4506107

Structure parameters

• Formula: C26 H24 Fe N4 O14.5
• Calculated formula: C26 H23 Fe N4 O14.5
• 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: 10.1969 ± 0.001 Å
• b: 11.0817 ± 0.0011 Å
• c: 13.9784 ± 0.0015 Å
• α: 95.445 ± 0.002°
• β: 105.167 ± 0.002°
• γ: 113.937 ± 0.002°
• Cell volume: 1356.7 ± 0.2 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: 0.0581
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No