Information card for entry 4122255

Structure parameters

• Formula: C20 H23 Fe N9 O4
• Calculated formula: C20 H23 Fe N9 O4
• Title of publication: NO2(-) Activation and Reduction to NO by a Nonheme Fe(NO2)2 Complex.
• Authors of publication: Sanders, Brian C.; Hassan, Sayed M.; Harrop, Todd C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 29
• Pages of publication: 10230 - 10233
• a: 14.1554 ± 0.0014 Å
• b: 14.1554 ± 0.0014 Å
• c: 9.807 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1701.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No