Information card for entry 2209393

Structure parameters

• Chemical name: catena-Poly[benzyltrimethylammonium [cadmium(II)-tri-μ~2~-thiocyanato]]
• Formula: C13 H16 Cd N4 S3
• Calculated formula: C13 H16 Cd N4 S3
• Title of publication: <i>catena</i>-Poly[benzyltrimethylammonium [cadmium(II)-tri-μ~2~-thiocyanato]]
• Authors of publication: Rajni Sharma; Alan R. Kennedy; Ritu Bala; Raj Pal Sharma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1630 - m1632
• a: 9.9668 ± 0.0003 Å
• b: 10.821 ± 0.0003 Å
• c: 16.5299 ± 0.0005 Å
• α: 90°
• β: 102.351 ± 0.002°
• γ: 90°
• Cell volume: 1741.5 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes