Information card for entry 7015192

Structure parameters

• Formula: C18 H12 N2 O Pd
• Calculated formula: C18 H12 N2 O Pd
• SMILES: c1cc[n]2[Pd]3([O]=Cc4n3ccc4)c3c4c2c1ccc4ccc3
• Title of publication: Synthesis and luminescence properties of cyclopalladated complexes with S^N and O^N donor ligands.
• Authors of publication: Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Pérez, José; García, Luis; Serrano, J. Luis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3537 - 3546
• a: 7.732 ± 0.0003 Å
• b: 16.2417 ± 0.0007 Å
• c: 22.1839 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2785.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No