Information card for entry 2228108

Structure parameters

• Chemical name: (<i>R</i>)-2-Methylpiperazine-1,4-diium diaquatetrachloridoferrate(II)
• Formula: C5 H18 Cl4 Fe N2 O2
• Calculated formula: C5 H18 Cl4 Fe N2 O2
• SMILES: [Fe](Cl)(Cl)(Cl)(Cl)([OH2])[OH2].[NH2+]1[C@@H](C[NH2+]CC1)C
• Title of publication: (<i>R</i>)-2-Methylpiperazine-1,4-diium diaquatetrachloridoferrate(II)
• Authors of publication: Peng, Cong-Hu; Li, Yun-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1224
• a: 8.6013 ± 0.0017 Å
• b: 6.4495 ± 0.0013 Å
• c: 12.024 ± 0.002 Å
• α: 90°
• β: 101.64 ± 0.03°
• γ: 90°
• Cell volume: 653.3 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes