Information card for entry 2023464

Structure parameters

• Chemical name: (<i>R</i>,<i>R</i>)-<i>N</i>^1^,<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^2^-Tetramethylcyclohexane-1,2-bis(aminium) tetrachloridoferrate chloride
• Formula: C10 H24 Cl5 Fe N2
• Calculated formula: C10 H24 Cl5 Fe N2
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].[Cl-].[NH+]([C@H]1[C@H]([NH+](C)C)CCCC1)(C)C
• Title of publication: Synthesis and crystal structure study of (<i>R</i>,<i>R</i>)-TMCDA ethanol derivatives doubly protonated with FeCl₄ ^- and Cl^- as counter-ions.
• Authors of publication: Klotz, Franziska Dorothea; Alonso Felipe, Clara; Villafañe, Fernando; Strohmann, Carsten
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 5
• Pages of publication: 372 - 376
• a: 10.2322 ± 0.0003 Å
• b: 9.2378 ± 0.0005 Å
• c: 10.7384 ± 0.0004 Å
• α: 90°
• β: 116.797 ± 0.001°
• γ: 90°
• Cell volume: 906.02 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0195
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No