Information card for entry 7050650

Structure parameters

• Chemical name: [Au(dppeS-P)Cl]2
• Formula: C52 H48 Au2 Cl2 P4 S2
• Calculated formula: C52 H48 Au2 Cl2 P4 S2
• SMILES: [Au](Cl)([P](c1ccccc1)(c1ccccc1)CC[P](=S)(c1ccccc1)c1ccccc1)[Au](Cl)[P](c1ccccc1)(c1ccccc1)CC[P](=S)(c1ccccc1)c1ccccc1
• Title of publication: N-Metallation of MS2N2 rings. X-ray crystal structures of [(?5-C5Me5)Ir(S2N2)Au(PPh3)][ClO4], [{(?5-C5Me5)Ir(S2N2)Au}2(�2-dppm)][ClO4]2 and [Au(dppeS-P)Cl]2
• Authors of publication: Aucott, Stephen M.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 1466
• a: 11.0993 ± 0.0008 Å
• b: 13.0681 ± 0.001 Å
• c: 19.3948 ± 0.0014 Å
• α: 84.735 ± 0.001°
• β: 76.483 ± 0.001°
• γ: 64.9 ± 0.001°
• Cell volume: 2476.9 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No