Information card for entry 2218637

Structure parameters

• Chemical name: Tris[2-(propyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]iron(III)
• Formula: C30 H36 Fe N3 O3
• Calculated formula: C30 H36 Fe N3 O3
• SMILES: [Fe]123([N](=Cc4c(cccc4)O1)CCC)([N](=Cc1ccccc1O3)CCC)[N](=Cc1ccccc1O2)CCC
• Title of publication: Tris[2-(propyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]iron(III)
• Authors of publication: Hao, Lujiang; Mu, Chunhua; Kong, Binbin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m955
• a: 19.369 ± 0.002 Å
• b: 19.369 ± 0.002 Å
• c: 30.216 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11336 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes