Information card for entry 1520378

Structure parameters

• Formula: C22 H18 N2 O4 Pd2 S2
• Calculated formula: C22 H18 N2 O4 Pd2 S2
• SMILES: [Pd]123([Pd]4([O]=C(O1)C)(OC(=[O]2)C)[n]1ccccc1c1sccc41)[n]1c(cccc1)c1sccc31
• Title of publication: C22H18N2O4Pd2S2
• Authors of publication: Spencer, John; Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 708
• a: 9.5853 ± 0.0001 Å
• b: 19.1332 ± 0.0003 Å
• c: 12.3889 ± 0.0002 Å
• α: 90°
• β: 103.732 ± 0.001°
• γ: 90°
• Cell volume: 2207.15 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0314
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No