Information card for entry 4346939

Structure parameters

• Formula: C61 H85 Fe K N7 O7
• Calculated formula: C61 H85 Fe K N7 O7
• Title of publication: X-ray Structure and Properties of the Ferrous Octaethylporphyrin Nitroxyl Complex.
• Authors of publication: Kundakarla, Nagabhushanam; Lindeman, Sergey; Rahman, Md Hafiz; Ryan, Michael D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2070 - 2075
• a: 14.7775 ± 0.0002 Å
• b: 19.6688 ± 0.0003 Å
• c: 21.2458 ± 0.0003 Å
• α: 83.4024 ± 0.0014°
• β: 88.8922 ± 0.0012°
• γ: 73.4501 ± 0.0014°
• Cell volume: 5879.6 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0797
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No