Information card for entry 4121338

Structure parameters

• Formula: C30 H30 B2 F8 Fe N11 O
• Calculated formula: C30 H30 B2 F8 Fe N11 O
• Title of publication: Nitrite Activation to Nitric Oxide via One-fold Protonation of Iron(II)-O,O-nitrito Complex: Relevance to the Nitrite Reductase Activity of Deoxyhemoglobin and Deoxyhemerythrin
• Authors of publication: Chih-Chin Tsou; Wan-Lin Yang; Wen-Feng Liaw
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 18758 - 18761
• a: 11.444 ± 0.008 Å
• b: 13.299 ± 0.01 Å
• c: 14.486 ± 0.01 Å
• α: 72.599 ± 0.012°
• β: 67.669 ± 0.011°
• γ: 67.909 ± 0.011°
• Cell volume: 1858 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1568
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No