Information card for entry 2234790

Structure parameters

• Chemical name: Tris(2-methylpiperidinium) tetrachloridoferrate dichloride
• Formula: C18 H42 Cl6 Fe N3
• Calculated formula: C18 H42 Cl6 Fe N3
• SMILES: C1CCCC(C)[NH2+]1.CC1[NH2+]CCCC1.C1C[NH2+]C(CC1)C.[Cl-][Fe](Cl)(Cl)Cl.[Cl-].[Cl-]
• Title of publication: Tris(2-methylpiperidinium) tetrachloridoferrate dichloride
• Authors of publication: Xu, Qian; Cheng, Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m658
• a: 10.443 ± 0.002 Å
• b: 23.239 ± 0.005 Å
• c: 14.494 ± 0.005 Å
• α: 90°
• β: 122.03 ± 0.02°
• γ: 90°
• Cell volume: 2982 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1983
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes