Information card for entry 2225674

Structure parameters

• Chemical name: Bis(μ-1,2-bis{[2-(2-pyridyl)-1<i>H-</i>imidazol-1- yl]methyl}benzene)bis[bis(thiocyanato-κ<i>N</i>)cadmium(II)]
• Formula: C52 H40 Cd2 N16 S4
• Calculated formula: C52 H40 Cd2 N16 S4
• Title of publication: Bis(μ-1,2-bis{[2-(2-pyridyl)-1<i>H-</i>imidazol-1-yl]methyl}benzene)bis[bis(thiocyanato-κ<i>N</i>)cadmium(II)]
• Authors of publication: Liu, Hongsheng; Su, Lianjiang; Wang, Limin; Li, Weihong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m378 - m379
• a: 10.117 ± 0.0005 Å
• b: 24.074 ± 0.0012 Å
• c: 10.723 ± 0.001 Å
• α: 90°
• β: 97.678 ± 0.001°
• γ: 90°
• Cell volume: 2588.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0989
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes