Information card for entry 2014093

Structure parameters

• Chemical name: catena-Poly[1,4-diazonia[2.2.2]octane [silver(I)-tri-μ-thiocyanato-κ^6^S:S]]
• Formula: C9 H14 Ag N5 S3
• Calculated formula: C9 H14 Ag N5 S3
• SMILES: [Ag]12[S](C#N)[Ag]([S]1C#N)([S]2C#N)(SC#N)(SC#N)SC#N.[NH+]12CC[NH+](CC1)CC2.[NH+]12CC[NH+](CC1)CC2
• Title of publication: <i>catena</i>-Poly[1,4-diazoniabicyclo[2.2.2]octane [silver(I)-tri-μ-thiocyanato-κ^6^<i>S</i>:<i>S</i>]]
• Authors of publication: Liu, Zhao-Di; Zou, Ying; Tan, Min-Yu; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m447 - m448
• a: 10.2148 ± 0.0014 Å
• b: 10.2148 ± 0.0014 Å
• c: 7.174 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 648.26 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes