Information card for entry 2216091

Structure parameters

• Common name: (N,N'-Bis(3-(salicylideneamino)propyl)ethane-1,2-diamine)iron(III) chloride
• Chemical name: [2,2'-(2,6,9,13-Tetraazatetradeca-1,13-diene-1,14-diyl)diphenolato]iron(III) chloride
• Formula: C22 H28 Cl Fe N4 O2
• Calculated formula: C22 H28 Cl Fe N4 O2
• SMILES: c12c(cccc1)O[Fe]1345[N](=C2)CCC[NH]1CC[NH]4CCC[N]3=Cc1c(cccc1)O5.[Cl-]
• Title of publication: [2,2'-(2,6,9,13-Tetraazatetradeca-1,13-diene-1,14-diyl)diphenolato]iron(III) chloride
• Authors of publication: Butcher, Ray J.; Pourian, Mohamad; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2742 - m2743
• a: 7.5156 ± 0.0015 Å
• b: 16.161 ± 0.003 Å
• c: 17.654 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2144.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes