Information card for entry 4121337

Structure parameters

• Formula: C28 H29 B2 F8 Fe N9 O
• Calculated formula: C28 H27 B2 F8 Fe N9
• 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: 12.6557 ± 0.0014 Å
• b: 12.6784 ± 0.0014 Å
• c: 13.718 ± 0.003 Å
• α: 100.654 ± 0.006°
• β: 115.768 ± 0.005°
• γ: 106.263 ± 0.005°
• Cell volume: 1779.2 ± 0.5 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: 0.1499
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2094
• Weighted residual factors for all reflections included in the refinement: 0.2298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No