Information card for entry 7002993

Structure parameters

• Formula: C9.5 H18.5 Cl2.5 N2 Pd0.5 S2 Zn
• Calculated formula: C9.5 H18.5 Cl2.5 N2 Pd0.5 S2 Zn
• 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: 7.4293 ± 0.0002 Å
• b: 12.4008 ± 0.0004 Å
• c: 16.6452 ± 0.0006 Å
• α: 90°
• β: 97.128 ± 0.002°
• γ: 90°
• Cell volume: 1521.66 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No