Information card for entry 7103816

Structure parameters

• Formula: C75 H83 Cl4 Fe4 N13 O27
• Calculated formula: C75 H72 Cl4 Fe4 N13 O27
• Title of publication: Regioselective hydroxylation of the xylyl linker in a diiron(III) complex having a carboxylate-rich ligand with H2O2
• Authors of publication: Furutachi, Hideki; Murayama, Mizue; Shiohara, Amane; Yamazaki, Satoshi; Fujinami, Shuhei; Uehara, Akira; Suzuki, Masatatsu; Ogo, Seiji; Watanabe, Yoshihito; Maeda, Yonezo
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 1900 - 1901
• a: 24.961 ± 0.002 Å
• b: 28.608 ± 0.003 Å
• c: 12.617 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9009 ± 2 ų
• Cell temperature: 153 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.906
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No