Information card for entry 7019467

Structure parameters

• Formula: C15 H13.5 Fe N4.5 O6.5
• Calculated formula: C15 H13.5 Fe N4.5 O6.5
• Title of publication: Conversion of {Fe(NO)(2)}(10) dinitrosyl iron to nitrato iron(iii) species by molecular oxygen.
• Authors of publication: Skodje, Kelsey M.; Williard, Paul G.; Kim, Eunsuk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 7849 - 7851
• a: 17.72 ± 0.03 Å
• b: 12.9 ± 0.02 Å
• c: 14.74 ± 0.03 Å
• α: 90°
• β: 94.4 ± 0.03°
• γ: 90°
• Cell volume: 3359 ± 10 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No