Information card for entry 2018841

Structure parameters

• Chemical name: Poly[[μ-1,4-bis(pyridazin-4-yl)benzene-κ^2^<i>N</i>^2^:<i>N</i>^2'^]bis(μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>)cadmium(II)]
• Formula: C16 H10 Cd N6 S2
• Calculated formula: C16 H10 Cd N6 S2
• Title of publication: Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and π‒π stacking interactions
• Authors of publication: Degtyarenko, Anna S.; Domasevitch, Konstantin V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: 219 - 224
• a: 5.9018 ± 0.0006 Å
• b: 7.6619 ± 0.0009 Å
• c: 9.2433 ± 0.001 Å
• α: 88.98 ± 0.012°
• β: 75.434 ± 0.011°
• γ: 87.049 ± 0.012°
• Cell volume: 404 ± 0.08 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0193
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes