Information card for entry 2206961

Structure parameters

• Formula: C33 H47 Fe N8 O11
• Calculated formula: C33 H47 Fe N8 O11
• SMILES: [Fe]123([O]=c4c(O1)c(n(c(c4)C)C)C(=O)NC)([O]=c1c(O2)c(n(c(c1)C)C)C(=O)NC)[O]=c1c(O3)c(n(c(c1)C)C)C(=O)NC.N(C)(C)C=O.O=CN(C)C
• Title of publication: Tris(2-<i>N</i>-methylaminocarbonyl-3-hydroxy-1,6-dimethyl-1,4-dihydro-4-pyridinonato)iron(III) dimethylformamide disolvate
• Authors of publication: Tam, Tim F.; Leung-Toung, Regis; Wang, Yingsheng; Spino, Michael; Williams, Glenn; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2055 - m2057
• a: 11.1137 ± 0.0002 Å
• b: 13.0414 ± 0.0003 Å
• c: 13.8382 ± 0.0003 Å
• α: 79.1515 ± 0.001°
• β: 68.8106 ± 0.001°
• γ: 79.7017 ± 0.0009°
• Cell volume: 1823.18 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes