Information card for entry 2236509

Structure parameters

• Chemical name: Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)palladium(II) bis(thiocyanate)
• Formula: C22 H18 N8 Pd S2
• Calculated formula: C22 H18 N8 Pd S2
• SMILES: c1cccc2Nc3cccc[n]3[Pd]3([n]12)[n]1ccccc1Nc1cccc[n]31.N#C[S-].N#C[S-]
• Title of publication: Bis(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)palladium(II) bis(thiocyanate)
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1145
• a: 7.7353 ± 0.0009 Å
• b: 17.478 ± 0.002 Å
• c: 8.3822 ± 0.001 Å
• α: 90°
• β: 102.137 ± 0.002°
• γ: 90°
• Cell volume: 1107.9 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes