Information card for entry 7037412

Structure parameters

• Chemical name: 1-H
• Formula: C38.5 H44 Cl F6 Fe2 N6 O8.5 S2
• Calculated formula: C38.5 H42 Cl F6 Fe2 N6 O8.5 S2
• 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: 17.032 ± 0.003 Å
• b: 13.852 ± 0.002 Å
• c: 20.379 ± 0.004 Å
• α: 90°
• β: 110.152 ± 0.005°
• γ: 90°
• Cell volume: 4513.6 ± 1.4 ų
• Cell temperature: 123.2 K
• Ambient diffraction temperature: 123.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No