Information card for entry 2023463

Structure parameters

• Chemical name: (<i>R</i>,<i>R</i>)-<i>N</i>^1^-(2-Hydroxyethyl)-<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^2^-trimethylcyclohexane-1,2-bis(aminium) tetrachloridoferrate chloride
• Formula: C11 H26 Cl5 Fe N2 O
• Calculated formula: C11 H26 Cl5 Fe N2 O
• 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: 7.607 ± 0.0005 Å
• b: 11.587 ± 0.0006 Å
• c: 21.8705 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1927.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0284
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No