Information card for entry 2217166

Structure parameters

• Chemical name: N-Methylpiperazinediium pentachloridoantimonate(III) monohydrate
• Formula: C5 H16 Cl5 N2 O Sb
• Calculated formula: C5 H16 Cl5 N2 O Sb
• SMILES: O.[NH2+]1CC[NH+](C)CC1.[Sb](Cl)(Cl)(Cl)([Cl-])[Cl-]
• Title of publication: <i>N</i>-Methylpiperazinediium pentachloridoantimonate(III) monohydrate
• Authors of publication: Chao Shen-Tu; Hai Yan Li; Xin Ju Ma; Wei Huang; Zhi Min Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m146 - m146
• a: 9.6 ± 0.004 Å
• b: 7.934 ± 0.003 Å
• c: 19.966 ± 0.006 Å
• α: 90°
• β: 106.765 ± 0.016°
• γ: 90°
• Cell volume: 1456.1 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0265
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes