Information card for entry 2228790

Structure parameters

• Chemical name: Bis(tetrabutylammonium) bis(3,4,5-trioxocyclopent-1-ene-1,2-dithiolato- κ^2^<i>S</i>,<i>S</i>')cadmate(II) 0.25-hydrate
• Formula: C42 H72.5 Cd N2 O6.25 S4
• Calculated formula: C42 H72.5 Cd N2 O6.25 S4
• Title of publication: Bis(tetrabutylammonium) bis(3,4,5-trioxocyclopent-1-ene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cadmate(II) 0.25-hydrate
• Authors of publication: Chen, Hong-Yu; Xia, Guang-Ming; Zhang, Zhen-Wei; Li, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m12 - m13
• a: 9.82 ± 0.005 Å
• b: 15.002 ± 0.005 Å
• c: 17.406 ± 0.005 Å
• α: 74.853 ± 0.005°
• β: 86.898 ± 0.005°
• γ: 87.705 ± 0.005°
• Cell volume: 2470.6 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes