Information card for entry 2234535

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(2-aminopyrimidine-κ<i>N</i>^1^)(thiocyanato- κ<i>S</i>)mercury(II)]-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>]
• Formula: C6 H5 Hg N5 S2
• Calculated formula: C6 H5 Hg N5 S2
• SMILES: [Hg](SC#N)(SC#N)([n]1c(N)nccc1)[N]#CS[Hg](SC#N)[n]1c(N)nccc1
• Title of publication: <i>catena</i>-Poly[[(2-aminopyrimidine-κ<i>N</i>^1^)(thiocyanato-κ<i>S</i>)mercury(II)]-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>]
• Authors of publication: Hoseinzadeh, Fatemeh; Shirvan, Sadif A.; Haydari Dezfuli, Sara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m646
• a: 25.819 ± 0.002 Å
• b: 6.006 ± 0.0004 Å
• c: 20.1176 ± 0.0015 Å
• α: 90°
• β: 136.222 ± 0.004°
• γ: 90°
• Cell volume: 2158.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.088
• 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: No
• Has Fobs: Yes