Information card for entry 7023974

Structure parameters

• Formula: C19 H14 N5 O
• Calculated formula: C19 H14 N5 O
• SMILES: C1(=O)N(c2ccccc2)[N]C(=NN1c1ccccc1)c1ncccc1
• 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: 11.2176 ± 0.0004 Å
• b: 19.5159 ± 0.0006 Å
• c: 7.0585 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1545.26 ± 0.08 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No