Information card for entry 7002994

Structure parameters

• Formula: C33 H38 Au B N2 S2
• Calculated formula: C33 H38 Au B N2 S2
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Au]123SCC[N]42CCC[N]3(CC4)CCS1
• 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: 10.643 ± 0.004 Å
• b: 14.184 ± 0.005 Å
• c: 21.407 ± 0.007 Å
• α: 90°
• β: 117.051 ± 0.018°
• γ: 90°
• Cell volume: 2878.1 ± 1.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.1704
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2289
• Weighted residual factors for all reflections included in the refinement: 0.2721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No