Information card for entry 2311721

Structure parameters

• Chemical name: Tetramethylammonium tetrachloroferrate(III)
• Formula: C4 H12 Cl4 Fe N
• Calculated formula: C4 Cl4 Fe N
• SMILES: C[N+](C)(C)C.[Cl-][Fe](Cl)(Cl)Cl
• Title of publication: Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
• Authors of publication: Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 844 - 855
• a: 6.425 ± 0.003 Å
• b: 7.148 ± 0.0016 Å
• c: 6.4274 ± 0.0018 Å
• α: 90°
• β: 91.21 ± 0.03°
• γ: 90°
• Cell volume: 295.12 ± 0.17 ų
• Cell temperature: 318 K
• Ambient diffraction temperature: 318 K
• Number of distinct elements: 5
• Space group number: 6
• Hermann-Mauguin space group symbol: P 1 m 1
• Hall space group symbol: P -2y
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections: 0.1864
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9353
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No