Information card for entry 2229570

Structure parameters

• Common name: piperazinium tetrachlorocadmium monohydrate
• Chemical name: Piperazinediium tetrachloridocadmate monohydrate
• Formula: C4 H14 Cd Cl4 N2 O
• Calculated formula: C4 H14 Cd Cl4 N2 O
• SMILES: [Cd](Cl)(Cl)([Cl-])[Cl-].[NH2+]1CC[NH2+]CC1.O
• Title of publication: Piperazinediium tetrachloridocadmate monohydrate
• Authors of publication: El Glaoui, Meher; Ben Gharbia, Imen; Ferretti, Valeria; Ben Nasr, Cherif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m340
• a: 6.6204 ± 0.0002 Å
• b: 12.8772 ± 0.0003 Å
• c: 14.0961 ± 0.0004 Å
• α: 90°
• β: 92.171 ± 0.0012°
• γ: 90°
• Cell volume: 1200.86 ± 0.06 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0416
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes