Information card for entry 2217436

Structure parameters

• Chemical name: Tris[2-(benzyliminomethyl)phenolato-κ^2^N,O]iron(III)
• Formula: C42 H36 Fe N3 O3
• Calculated formula: C42 H36 Fe N3 O3
• SMILES: [Fe]123(Oc4c(cccc4)C=[N]1Cc1ccccc1)(Oc1c(cccc1)C=[N]2Cc1ccccc1)Oc1c(cccc1)C=[N]3Cc1ccccc1
• Title of publication: Tris[2-(benzyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]iron(III)
• Authors of publication: Gong, Hai-Bin; Lei Wang; Wei-Tao Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m380 - m380
• a: 9.347 ± 0.0008 Å
• b: 10.9248 ± 0.0013 Å
• c: 16.7702 ± 0.0019 Å
• α: 95.42 ± 0.03°
• β: 96.47 ± 0.03°
• γ: 93.88 ± 0.03°
• Cell volume: 1688.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1038
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes