Information card for entry 7002995

Structure parameters

• Formula: C9 H18 N2 Pd S2
• Calculated formula: C9 H18 N2 Pd S2
• Title of publication: Reactions of palladium and gold complexes with zinc-thiolate chelates using electrospray mass spectrometry and X-ray diffraction: molecular identification of [Pd(bme-dach)], [Au(bme-dach]+ and [ZnCl(bme-dach)]2Pd
• Authors of publication: de Paula, Queite A.; Liu, Qin; Almaraz, Elky; Denny, Jason A.; Mangrum, John B.; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.; Farrell, Nicholas P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 48
• Pages of publication: 10896 - 10903
• a: 9.961 ± 0.005 Å
• b: 15.105 ± 0.007 Å
• c: 7.514 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1130.6 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No