Information card for entry 7028448

Structure parameters

• Formula: C49 H42 Cl2 N2 O3 P2 Pd2 S2
• Calculated formula: C49 H42 Cl2 N2 O3 P2 Pd2 S2
• SMILES: O.[Pd]1234[P](c5c([Pd]3(Sc3[n]2c(ccc3)C)([P](c2c4cccc2)(c2ccccc2)c2ccccc2)[n]2c(S1)cccc2C)cccc5)(c1ccccc1)c1ccccc1.ClCCl.O.O
• Title of publication: Further orthometalated dinuclear palladium(iii) compounds with bridging N,S-donor ligands.
• Authors of publication: Ibáñez, Susana; Vrečko, Doris Nena; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Ubeda, Maangeles
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2961 - 2970
• a: 18.205 ± 0.0005 Å
• b: 12.988 ± 0.0004 Å
• c: 22.18 ± 0.0005 Å
• α: 90°
• β: 104.987 ± 0.0015°
• γ: 90°
• Cell volume: 5066 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No