Information card for entry 2211043

Structure parameters

• Chemical name: μ-1,4-Diazabicyclo[2.2.2]octane-κ^2^N:N'-bis[bis(O,O'-diisopropyl dithiophosphato-κ^2^S,S')cadmium(II)]
• Formula: C30 H68 Cd2 N2 O8 P4 S8
• Calculated formula: C30 H68 Cd2 N2 O8 P4 S8
• SMILES: [Cd]12(SP(=[S]1)(OC(C)C)OC(C)C)(SP(=[S]2)(OC(C)C)OC(C)C)[N]12CC[N]([Cd]34(SP(=[S]3)(OC(C)C)OC(C)C)SP(=[S]4)(OC(C)C)OC(C)C)(CC1)CC2
• Title of publication: μ-1,4-Diazabicyclo[2.2.2]octane-κ^2^<i>N</i>:<i>N</i>'-bis[bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')cadmium(II)]
• Authors of publication: Ellis, Carol A.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3049 - m3051
• a: 8.108 ± 0.0015 Å
• b: 19.074 ± 0.003 Å
• c: 17.217 ± 0.003 Å
• α: 90°
• β: 94.141 ± 0.005°
• γ: 90°
• Cell volume: 2655.7 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes