Information card for entry 7037413

Structure parameters

• Chemical name: 3-H
• Formula: C79 H88 F12 Fe2 N12 O17 S4
• Calculated formula: C79.002 H88 F12.006 Fe2 N12 O17.006 S4.002
• Title of publication: New mechanistic insight into intramolecular arene hydroxylation initiated by (μ-1,2-peroxo)diiron(iii) complexes with dinucleating ligands.
• Authors of publication: Sekino, Mio; Furutachi, Hideki; Tasaki, Kyosuke; Ishikawa, Takanao; Mori, Shigeki; Fujinami, Shuhei; Akine, Shigehisa; Sakata, Yoko; Nomura, Takashi; Ogura, Takashi; Kitagawa, Teizo; Suzuki, Masatatsu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 469 - 473
• a: 22.486 ± 0.005 Å
• b: 11.386 ± 0.003 Å
• c: 34.356 ± 0.007 Å
• α: 90°
• β: 92.34 ± 0.007°
• γ: 90°
• Cell volume: 8789 ± 4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No