Information card for entry 4320149

Structure parameters

• Formula: C2 H12 Cl5 Fe N2 O
• Calculated formula: C2 H12 Cl5 Fe N2 O
• Title of publication: Isolation and Detailed Characterization of the trans-[(H2O)2FeCl4]- Anion: Stabilization of Novel Iron(III) Species by Large Organic Cations
• Authors of publication: Bruce D. James; Margarita Bakalova; John Liesegang; William Michael Reiff; Brian W. Skelton; Allan H. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4617 - 4622
• a: 14.531 ± 0.006 Å
• b: 10.772 ± 0.004 Å
• c: 6.888 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1078.2 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections: 1.338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.388
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No