Information card for entry 4105568

Structure parameters

• Common name: gloria03
• Chemical name: gloria03
• Formula: C12 H25 F3 Fe N5 O4 S2
• Calculated formula: C12 H25 F3 Fe N5 O4 S2
• Title of publication: Influence of Thiolate Ligands on Reductive N-O Bond Activation. Probing the O2-Binding Site of a Biomimetic Superoxide Reductase Analogue and Examining the Proton-Dependent Reduction of Nitrite
• Authors of publication: Gloria Villar-Acevedo; Elaine Nam; Sarah Fitch; Jason Benedict; John Freudenthal; Werner Kaminsky; Julie A. Kovacs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1419 - 1427
• a: 14.4552 ± 0.0002 Å
• b: 8.5295 ± 0.0005 Å
• c: 15.6713 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1932.2 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No