Information card for entry 1548206

Structure parameters

• Formula: C14 H20 Fe N2 O4
• Calculated formula: C14 H18 Fe N2 O4
• SMILES: [Fe]12(Oc3c([NH2]1)cccc3)(Oc1c([NH2]2)cccc1)([OH]C)[OH]C
• Title of publication: Dehydrogenation of anhydrous methanol at room temperature by o-aminophenol-based photocatalysts
• Authors of publication: Masanori Wakizaka; Takeshi Matsumoto; Ryota Tanaka; Ho-Chol Chang
• Journal of publication: Nature Communicatons
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 12333
• a: 8.889 ± 0.009 Å
• b: 5.114 ± 0.005 Å
• c: 16.291 ± 0.015 Å
• α: 90°
• β: 100.396 ± 0.016°
• γ: 90°
• Cell volume: 728.4 ± 1.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No