Information card for entry 2226347

Structure parameters

• Chemical name: [2,2'-(2,6,9,13-Tetraazatetradecane-1,14-diyl)diphenolato]iron(III) iodide
• Formula: C22 H32 Fe I N4 O2
• Calculated formula: C22 H32 Fe I N4 O2
• SMILES: [I-].[Fe]12345Oc6ccccc6C[NH]2CCC[NH]3CC[NH]5CCC[NH]4Cc2c(O1)cccc2
• Title of publication: [2,2'-(2,6,9,13-Tetraazatetradecane-1,14-diyl)diphenolato]iron(III) iodide
• Authors of publication: Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma; Yisgedu, Teshome
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m711 - m712
• a: 9.3958 ± 0.0001 Å
• b: 13.0509 ± 0.0001 Å
• c: 19.4047 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2379.48 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes