Information card for entry 4339332

Structure parameters

• Common name: [FeCl2(meim)4]
• Formula: C16 H24 Cl2 Fe N8
• Calculated formula: C16 H24 Cl2 Fe N8
• SMILES: c1cn(c[n]1[Fe](Cl)([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)Cl)C
• Title of publication: A planar carboxylate-rich tetraironII complex and its conversion to linear triironII and paddlewheel diironII complexes.
• Authors of publication: Reisner, Erwin; Telser, Joshua; Lippard, Stephen J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10754 - 10770
• a: 7.5094 ± 0.0009 Å
• b: 16.123 ± 0.002 Å
• c: 8.9317 ± 0.0011 Å
• α: 90°
• β: 107.308 ± 0.002°
• γ: 90°
• Cell volume: 1032.4 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No