Information card for entry 2203998

Structure parameters

• Chemical name: bis[μ-N,N'-bis(μ-2-oxidophenylmethyleneamino)propane-1,2- diaminato(3-)]iron(III)
• Formula: C34 H32 Cl2 Fe2 N4 O4
• Calculated formula: C34 H32 Cl2 Fe2 N4 O4
• SMILES: [N]12=Cc3c(O[Fe]451([N](=Cc1c(cccc1)[O]4[Fe]146([N](=Cc7c(cccc7)[O]54)[C@@H](C)C[N]1=Cc1c(O6)cccc1)Cl)[C@H](C)C2)Cl)cccc3
• Title of publication: A dinuclear Schiff base iron(III) complex with the ligand <i>N</i>,<i>N</i>'-bis(2-oxidophenylmethyleneimino)propane-1,2-diamine
• Authors of publication: You, Zhong-Lu; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1046 - m1048
• a: 10.937 ± 0.008 Å
• b: 20.406 ± 0.014 Å
• c: 7.484 ± 0.005 Å
• α: 90°
• β: 101.864 ± 0.011°
• γ: 90°
• Cell volume: 1635 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2244
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes