Information card for entry 2225893

Structure parameters

• Chemical name: 2-Methylpiperazinediium tetrachloridozinc(II)
• Formula: C5 H14 Cl4 N2 Zn
• Calculated formula: C5 H14 Cl4 N2 Zn
• SMILES: C1C[NH2+]C(C[NH2+]1)C.[Cl-][Zn](Cl)(Cl)[Cl-]
• Title of publication: 2-Methylpiperazinediium tetrachloridozincate(II)
• Authors of publication: Yin, Ming; Wu, Shao-Tong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m515
• a: 8.4183 ± 0.0017 Å
• b: 14.939 ± 0.003 Å
• c: 9.83 ± 0.002 Å
• α: 90°
• β: 90.35 ± 0.03°
• γ: 90°
• Cell volume: 1236.2 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes