Information card for entry 7101292

Structure parameters

• Formula: C28 H25 Au2 Cl5 N2 P2 S
• Calculated formula: C28 H25 Au2 Cl5 N2 P2 S
• SMILES: [Au](Cl)[P](/N=C/1SCCN1[P]([Au]Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl
• Title of publication: Intra- and inter-molecular phosphoryl migration in phosphinothiazolines, precursors to polynuclear complexes and bimetallic coordination polymers.
• Authors of publication: Pierre Braunstein; Margraf, Gunter; Pattacini, Roberto; Messaoudi, Abdelatif
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 29
• a: 9.61 ± 0.001 Å
• b: 13.281 ± 0.002 Å
• c: 13.769 ± 0.002 Å
• α: 98.04 ± 0.05°
• β: 101.87 ± 0.05°
• γ: 104.52 ± 0.05°
• Cell volume: 1630.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No