Information card for entry 7212147

Structure parameters

• Formula: C9 H20 Cl4 Fe N
• Calculated formula: C8.96 H20.22 Cl4 Fe N
• 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: 8.223 ± 0.0011 Å
• b: 8.223 ± 0.0011 Å
• c: 13.03 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 763.02 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.2718
• Weighted residual factors for all reflections included in the refinement: 0.2759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No