Information card for entry 2234636

Structure parameters

• Chemical name: Dipotassium tetrakis(thiocyanato-κ<i>S</i>)palladate(II)‒ (2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)bis(thiocyanato- κ<i>S</i>)palladium(II) (1/2)
• Formula: C24 H12 K2 N16 Pd3 S8
• Calculated formula: C24 H12 K2 N16 Pd3 S8
• SMILES: [Pd]1([n]2c(c3[n]1cccn3)nccc2)(SC#N)SC#N.[Pd]1([n]2c(c3[n]1cccn3)nccc2)(SC#N)SC#N.[Pd](SC#N)(SC#N)(SC#N)SC#N.[K+].[K+]
• Title of publication: Dipotassium tetrakis(thiocyanato-κ<i>S</i>)palladate(II)‒(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)bis(thiocyanato-κ<i>S</i>)palladium(II) (1/2)
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m616 - m617
• a: 15.9625 ± 0.0007 Å
• b: 10.97 ± 0.0005 Å
• c: 21.6801 ± 0.0009 Å
• α: 90°
• β: 94.104 ± 0.001°
• γ: 90°
• Cell volume: 3786.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No