Information card for entry 2236920

Structure parameters

• Chemical name: Diammine{<i>N</i>-[2-(hydroxyimino)propionyl]-<i>N</i>'-[2- (oxidoimino)propionyl]propane-1,3-diaminido- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}iron(III)
• Formula: C9 H19 Fe N6 O4
• Calculated formula: C9 H19 Fe N6 O4
• Title of publication: Diammine{<i>N</i>-[2-(hydroxyimino)propionyl]-<i>N</i>'-[2-(oxidoimino)propionyl]propane-1,3-diaminido-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}iron(III)
• Authors of publication: Tomyn, Stefania; Haukka, Matti; Nedelkov, Ruslan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1568 - m1569
• a: 8.9111 ± 0.0003 Å
• b: 7.2255 ± 0.0003 Å
• c: 10.6194 ± 0.0004 Å
• α: 90°
• β: 108.994 ± 0.002°
• γ: 90°
• Cell volume: 646.52 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes