Information card for entry 2219926

Structure parameters

• Chemical name: Poly[tris[μ~2~-2-(pyrazol-1-yl)pyrazine]hexa-μ~1,3~-thiocyanato- tricadmium(II)]
• Formula: C20 H12 Cd3 N14 S6
• Calculated formula: C20 H12 Cd3 N14 S6
• Title of publication: Poly[tris[μ~2~-2-(pyrazol-1-yl)pyrazine]hexa-μ~1,3~-thiocyanato-tricadmium(II)]
• Authors of publication: Yang, Lin Yan; Shi, Jing Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1387
• a: 7.0309 ± 0.0009 Å
• b: 8.6178 ± 0.0012 Å
• c: 13.7373 ± 0.0018 Å
• α: 87.889 ± 0.002°
• β: 85.173 ± 0.002°
• γ: 68.06 ± 0.002°
• Cell volume: 769.32 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes