Information card for entry 2233564

Structure parameters

• Chemical name: Poly[piperazine-1,4-diium [μ~4~-chlorido-μ~3~-chlorido-tri-μ~2~-chlorido-chloridodicadmate(II)] monohydrate]
• Formula: C5 H16 Cd2 Cl6 N2 O
• Calculated formula: C5 H16 Cd2 Cl6 N2 O
• SMILES: [Cd]12(Cl)(Cl)[Cl]3[Cd]4(Cl)([Cl]2)[Cl][Cd]256(Cl)[Cl][Cd]789(Cl)[Cl][Cd]%10(Cl)([Cl]76%11)([Cl][Cd]3([Cl]1)(Cl)([Cl]24%10)[Cl]5)[Cl][Cd]1%11(Cl)[Cl][Cd](Cl)(Cl)([Cl]8)[Cl]19.[NH2+]1[C@@H](C[NH2+]CC1)C.O.[NH2+]1[C@H](C[NH2+]CC1)C.O.[NH2+]1[C@@H](C[NH2+]CC1)C.O.[NH2+]1[C@H](C[NH2+]CC1)C.O
• Title of publication: Poly[piperazine-1,4-diium [μ~4~-chlorido-μ~3~-chlorido-tri-μ~2~-chlorido-chloridodicadmate(II)] monohydrate]
• Authors of publication: Adib, Marwa; El Glaoui, Meher; Pereira da Silva, Pedro Sidonio; Ramos Silva, Manuela; Ben Nasr, Cherif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m175
• a: 12.1907 ± 0.0003 Å
• b: 6.8088 ± 0.0002 Å
• c: 21.459 ± 0.0005 Å
• α: 90°
• β: 120.521 ± 0.001°
• γ: 90°
• Cell volume: 1534.39 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0199
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes