Information card for entry 2016801

Structure parameters

• Chemical name: Poly[μ~4~-sulfido-tris(thiocyanato-κ<i>N</i>)tris(μ~3~-1,2,4-triazolato- κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)tetrazinc(II)]
• Formula: C9 H6 N12 S4 Zn4
• Calculated formula: C9 H6 N12 S4 Zn4
• Title of publication: Poly[μ~4~-sulfido-tris(thiocyanato-κ<i>N</i>)tris(μ~3~-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)tetrazinc(II)]: a three-dimensional zinc sulfide coordination polymer
• Authors of publication: Park, Hyunsoo; Geiser, Urs; Halder, Gregory J.; Schlueter, John A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m327 - m329
• a: 13.9947 ± 0.0004 Å
• b: 13.9947 ± 0.0004 Å
• c: 8.4249 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1428.97 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.0143
• Residual factor for significantly intense reflections: 0.0142
• Weighted residual factors for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes