Information card for entry 2204892

Structure parameters

• Chemical name: μ-oxo-bis({2,2-[propane-1,2-diylbis(nitrilomethylidyne)]diphenolato}iron(III))
• Formula: C34 H32 Fe2 N4 O5
• Calculated formula: C34 H32 Fe2 N4 O5
• SMILES: [Fe]123([N](=Cc4c(O2)cccc4)[C@H](C[N]1=Cc1c(O3)cccc1)C)O[Fe]123[N](=Cc4c(O2)cccc4)[C@H](C[N]1=Cc1c(O3)cccc1)C.[Fe]123([N](=Cc4c(O2)cccc4)[C@@H](C[N]1=Cc1c(O3)cccc1)C)O[Fe]123[N](=Cc4c(O2)cccc4)[C@@H](C[N]1=Cc1c(O3)cccc1)C
• Title of publication: A dinuclear oxygen-bridged Schiff base iron(III) complex derived from <i>N</i>,<i>N</i>'-bis(2-hydroxybenzylidene)-1,2-diaminopropane
• Authors of publication: You, Zhong-Lu; Tang, Lu-Lu; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m36 - m38
• a: 11.462 ± 0.004 Å
• b: 12.478 ± 0.004 Å
• c: 13.23 ± 0.005 Å
• α: 95.491 ± 0.006°
• β: 115.07 ± 0.005°
• γ: 110.291 ± 0.005°
• Cell volume: 1540.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes