Information card for entry 2241418

Structure parameters

• Chemical name: Di-μ~2~-chlorido-bis[(1-aza-4-azoniabicyclo[2.2.2]octane-\ κ<i>N</i>^1^)dichloridodicadmium]
• Formula: C12 H26 Cd2 Cl6 N4
• Calculated formula: C12 H26 Cd2 Cl6 N4
• SMILES: C1C[NH+]2CC[N]1(CC2)[Cd]1(Cl)(Cl)[Cl][Cd]([N]23CC[NH+](CC3)CC2)(Cl)(Cl)[Cl]1
• Title of publication: Crystal structure of di-μ~2~-chlorido-bis[(1-aza-4-azoniabicyclo[2.2.2]octane-κ<i>N</i>^1^)dichloridodicadmium]
• Authors of publication: Yan, Jing-Jing; Pan, Qi-Jian; Chen, Li-Zhuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m259 - m260
• a: 12.317 ± 0.002 Å
• b: 12.289 ± 0.002 Å
• c: 14.44 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2185.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes