Information card for entry 7030775

Structure parameters

• Formula: C52 H64 Fe2 N6 O8
• Calculated formula: C52 H64 Fe2 N6 O8
• Title of publication: Redox and acid-base properties of asymmetric non-heme (hydr)oxo-bridged diiron complexes.
• Authors of publication: Jozwiuk, Anna; Ingram, Audrey L.; Powell, Douglas R.; Moubaraki, Boujemaa; Chilton, Nicholas F.; Murray, Keith S.; Houser, Robert P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 9740 - 9753
• a: 11.074 ± 0.002 Å
• b: 12.872 ± 0.002 Å
• c: 17.425 ± 0.003 Å
• α: 84.588 ± 0.004°
• β: 86.831 ± 0.004°
• γ: 83.527 ± 0.005°
• Cell volume: 2454.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No