Information card for entry 7033178

Structure parameters

• Chemical name: [1,1,1-Tris(pyrid-2-yl)ethane]dichloropalladium(II)
• Formula: C17 H15 Cl2 N3 Pd
• Calculated formula: C17 H15 Cl2 N3 Pd
• SMILES: [Pd]1(Cl)(Cl)[n]2c(C(C)(c3[n]1cccc3)c1ncccc1)cccc2
• Title of publication: Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.
• Authors of publication: Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1060 - 1069
• a: 9.0049 ± 0.0002 Å
• b: 18.4245 ± 0.0003 Å
• c: 10.6172 ± 0.0002 Å
• α: 90°
• β: 112.445 ± 0.002°
• γ: 90°
• Cell volume: 1628.07 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No