Information card for entry 2214812

Structure parameters

• Chemical name: (Acetonitrile-κN)(2,2':6',2''-terpyridyl-κ^3^<i>N</i>)palladium(II)] bis(hexafluorophosphate)
• Formula: C17 H14 F12 N4 P2 Pd
• Calculated formula: C17 H14 F12 N4 P2 Pd
• SMILES: [Pd]12([n]3ccccc3c3cccc([n]13)c1cccc[n]21)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: (Acetonitrile-κ<i>N</i>)(2,2':6',2''-terpyridyl-κ^3^<i>N</i>)palladium(II)] bis(hexafluorophosphate)
• Authors of publication: Guang-Quan Mei; Ke-Long Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2029 - m2029
• a: 13.1073 ± 0.0003 Å
• b: 11.884 ± 0.0003 Å
• c: 14.6085 ± 0.0004 Å
• α: 90°
• β: 97.81 ± 0.001°
• γ: 90°
• Cell volume: 2254.42 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes