Information card for entry 7023975

Structure parameters

• Formula: C19 H14 Cl2 N5 O Pd
• Calculated formula: C19 H14 Cl2 N5 O Pd
• SMILES: C1(=O)N(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: 9.4209 ± 0.001 Å
• b: 10.0339 ± 0.0011 Å
• c: 11.0283 ± 0.0012 Å
• α: 77.16 ± 0.007°
• β: 77.7 ± 0.006°
• γ: 72.661 ± 0.006°
• Cell volume: 958.09 ± 0.18 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No