Information card for entry 2233390

Structure parameters

• Chemical name: (2,3-Di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)bis(thiocyanato- κ<i>S</i>)palladium(II)
• Formula: C16 H10 N6 Pd S2
• Calculated formula: C16 H10 N6 Pd S2
• SMILES: [Pd]1(SC#N)(SC#N)[n]2c(c3nccnc3c3[n]1cccc3)cccc2
• Title of publication: (2,3-Di-2-pyridylpyrazine-κ^2^<i>N</i>^2^,<i>N</i>^3^)bis(thiocyanato-κ<i>S</i>)palladium(II)
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m144
• a: 15.8236 ± 0.0011 Å
• b: 13.5901 ± 0.0009 Å
• c: 7.9189 ± 0.0006 Å
• α: 90°
• β: 102.96 ± 0.001°
• γ: 90°
• Cell volume: 1659.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No