Information card for entry 7015191

Structure parameters

• Formula: C35 H27 Cl3 N6 Pd2 S2
• Calculated formula: C35 H27 Cl3 N6 Pd2 S2
• SMILES: [Pd]1(Sc2[n]([Pd]34[n]5c6c7c3cccc7ccc6ccc5)ccn2C)([n]2c3c(ccc2)ccc2c3c1ccc2)[n]1c(S4)n(cc1)C.ClC(Cl)Cl
• 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: 9.8956 ± 0.0004 Å
• b: 28.7252 ± 0.0012 Å
• c: 12.3772 ± 0.0005 Å
• α: 90°
• β: 106.029 ± 0.001°
• γ: 90°
• Cell volume: 3381.5 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No