Information card for entry 4321906

Structure parameters

• Formula: C52 H51 Cl4 Fe2 N13 O17
• Calculated formula: C50 H48 Cl4 Fe2 N12 O17
• Title of publication: Iron Chemistry of a Pentadentate Ligand That Generates a Metastable FeIII-OOH Intermediate
• Authors of publication: Gerard Roelfes; Marcel Lubben; Kui Chen; Raymond Y. N. Ho; Auke Meetsma; Susan Genseberger; Roel M. Hermant; Ronald Hage; Sanjay K. Mandal; Victor G. Young,; Yan Zang; Huub Kooijman; Anthony L. Spek; Lawrence Que,; Ben L. Feringa
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1929 - 1936
• a: 11.73 ± 0.001 Å
• b: 18.64 ± 0.002 Å
• c: 13.331 ± 0.002 Å
• α: 90°
• β: 93.74 ± 0.01°
• γ: 90°
• Cell volume: 2908.6 ± 0.6 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.61
• Goodness-of-fit parameter for all reflections included in the refinement: 2.788
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No