Information card for entry 2207515

Structure parameters

• Chemical name: Matrinium Tetrachloroferrate
• Formula: C15 H25 Cl4 Fe N2 O
• Calculated formula: C15 H25 Cl4 Fe N2 O
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].[C@@H]12[C@@H]3CCC[NH+]2CCC[C@H]1CN1C(=O)CCC[C@H]31
• Title of publication: Matrinium tetrachloroferrate(III)
• Authors of publication: Zhi-Min Jin; Zu-Guang Li; Li Li; Mei-Chao Li; Mao-Lin Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2466 - m2468
• a: 8.4871 ± 0.0008 Å
• b: 12.9037 ± 0.0012 Å
• c: 18.2256 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1996 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0639
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes