Information card for entry 7212148

Structure parameters

• Formula: C13 H30 Cl4 Fe N
• Calculated formula: C13 H30 Cl4 Fe N
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].[N+](C)(CCCC)(CCCC)CCCC
• Title of publication: Ionic liquids and solids with paramagnetic anions.
• Authors of publication: Krieger, Brenna M.; Lee, Heather Y.; Emge, Thomas J.; Wishart, James F.; Castner, Jr, Edward W
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 31
• Pages of publication: 8919 - 8925
• a: 15.366 ± 0.002 Å
• b: 14.861 ± 0.002 Å
• c: 17.361 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3964.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No