Information card for entry 2205260

Structure parameters

• Chemical name: Poly[[bis(triphenylphosphine)mercury(II)]-μ-thiocyanato-cadmium(II)- tri-μ-thiocyanato]
• Formula: C40 H30 Cd Hg N4 P2 S4
• Calculated formula: C40 H30 Cd Hg N4 P2 S4
• SMILES: [Cd]12([N]#CS[Hg]([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)SC#[N][Cd]3([N]#CS[Hg]([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)SC#[N]2)(N=C=S)[N]#CS[Cd]([N]#CS[Hg]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)SC#N)(N=C=S)[N]#CS3)(N=C=S)[N]#CS[Cd]([N]#CS[Hg]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)SC#N)(N=C=S)[N]#CS1
• Title of publication: Poly[[bis(triphenylphosphine)mercury(II)]-μ-thiocyanato-cadmium(II)-tri-μ-thiocyanato]
• Authors of publication: Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Sun, Hai Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m548 - m550
• a: 11.5181 ± 0.0018 Å
• b: 13.8876 ± 0.0015 Å
• c: 13.9889 ± 0.001 Å
• α: 93.532 ± 0.007°
• β: 95.868 ± 0.009°
• γ: 109.014 ± 0.009°
• Cell volume: 2093.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes