Information card for entry 4321908

Structure parameters

• Common name: 97125
• Formula: C49.5 H54 Cl4 Fe2 N10 O19.5
• Calculated formula: C49.5 H54 Cl4 Fe2 N10 O19.5
• 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: 21.3348 ± 0.0001 Å
• b: 16.6471 ± 0.0001 Å
• c: 32.1048 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11402.4 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections: 0.1261
• Weighted residual factors for significantly intense reflections: 0.1148
• Goodness-of-fit parameter for all reflections: 1.146
• Goodness-of-fit parameter for significantly intense reflections: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No