Information card for entry 7107682

Structure parameters

• Formula: C46 H32 Cl2 Fe N5 O
• Calculated formula: C46 H32 Cl2 Fe N5 O
• Title of publication: Interior Aliphatic C-H Bond Activation on Iron(II) N-Confused Porphyrin through Synergistic Nitric Oxide Binding and Iron Oxidation
• Authors of publication: Wei-Min Ching; Chen-Hsiung Hung
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4989
• a: 11.7119 ± 0.0011 Å
• b: 12.9672 ± 0.001 Å
• c: 14.6335 ± 0.0011 Å
• α: 64.68 ± 0.005°
• β: 86.09 ± 0.006°
• γ: 65.569 ± 0.005°
• Cell volume: 1813 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1688
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No