Information card for entry 2015067

Structure parameters

• Chemical name: di-μ-thiocyanato-bis((methanol){4-nitro-2-[2- (dimethylamino)ethyliminomethyl]phenolato}cadmium(II)]
• Formula: C26 H36 Cd2 N8 O8 S2
• Calculated formula: C26 H36 Cd2 N8 O8 S2
• Title of publication: A novel thiocyanate-bridged dinuclear cadmium(II) complex: di-μ-thiocyanato-bis((methanol){4-nitro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}cadmium(II))
• Authors of publication: You, Zhong-Lu; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m397 - m399
• a: 8.286 ± 0.001 Å
• b: 8.946 ± 0.001 Å
• c: 11.971 ± 0.002 Å
• α: 110.019 ± 0.002°
• β: 92.705 ± 0.002°
• γ: 91.482 ± 0.002°
• Cell volume: 832 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0255
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes