Information card for entry 2222660

Structure parameters

• Chemical name: 1,1'-{[1,1'-(Pyridinium-2,6-diyl)diethylidyne]diimino}diguanidinium pentachloridocadmate(II) monohydrate
• Formula: C11 H22 Cd Cl5 N9 O
• Calculated formula: C11 H22 Cd Cl5 N9 O
• SMILES: [Cd](Cl)(Cl)([Cl-])([Cl-])[Cl-].[nH+]1c(cccc1C(=N\NC(=[NH2+])N)\C)/C(=N/NC(=[NH2+])N)C.O
• Title of publication: 1,1'-{[1,1'-(Pyridinium-2,6-diyl)diethylidyne]diimino}diguanidinium pentachloridocadmate(II) monohydrate
• Authors of publication: Xu, Rui-jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m951
• a: 10.638 ± 0.002 Å
• b: 13.7 ± 0.003 Å
• c: 14.839 ± 0.003 Å
• α: 90°
• β: 90.9 ± 0.03°
• γ: 90°
• Cell volume: 2162.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes