Information card for entry 7111106

Structure parameters

• Formula: C74 H74 Fe N11 O6
• Calculated formula: C75 H69 Fe N10 O6
• Title of publication: The first unambiguous determination of a nitrosyl-to-nitrite conversion in an iron nitrosyl porphyrin
• Authors of publication: Cheng, Lin; Khan, Masood A.; Richter-Addo, George B.; Powell, Douglas R.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 2301
• a: 18.56 ± 0.002 Å
• b: 19.035 ± 0.003 Å
• c: 18.543 ± 0.002 Å
• α: 90°
• β: 90.707 ± 0.01°
• γ: 90°
• Cell volume: 6550.6 ± 1.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• 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: 0.1117
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections: 0.2019
• Weighted residual factors for significantly intense reflections: 0.1638
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No