Information card for entry 7023976

Structure parameters

• Formula: C19 H16 Cl2 N5 Pd
• Calculated formula: C19 H16 Cl2 N5 Pd
• SMILES: C1N(c2ccccc2)N=C2c3cccc[n]3[Pd](N2N1c1ccccc1)(Cl)Cl
• Title of publication: The first "Kuhn verdazyl" ligand and comparative studies of its PdCl2 complex with analogous 6-oxoverdazyl ligands.
• Authors of publication: Johnston, Cooper W.; McKinnon, Stephen D. J.; Patrick, Brian O.; Hicks, Robin G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16829 - 16836
• a: 8.4974 ± 0.0008 Å
• b: 14.124 ± 0.0013 Å
• c: 15.429 ± 0.0015 Å
• α: 90°
• β: 99.586 ± 0.005°
• γ: 90°
• Cell volume: 1825.9 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0225
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No