Information card for entry 7015190

Structure parameters

• Formula: C24 H17 Cl N2 O Pd
• Calculated formula: C24 H17 Cl N2 O Pd
• SMILES: c1ccc2c3[n]([Pd]4(c2c1)Oc1c(C=[N]4c2ccc(Cl)cc2)cccc1)cccc3
• 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: 12.2047 ± 0.0005 Å
• b: 11.7402 ± 0.0005 Å
• c: 14.5635 ± 0.0006 Å
• α: 90°
• β: 114.478 ± 0.001°
• γ: 90°
• Cell volume: 1899.18 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0242
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No