Information card for entry 2201362

Structure parameters

• Formula: C26 H27 Au B N4 P S2
• Calculated formula: C26 H27 Au B N4 P S2
• SMILES: [Au](Sc1[n]2cc[n]1C)(Sc1[n](cc[n]1C)[BH2]2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: [Bis(2-mercapto-1-methylimidazol-3-yl)borato](triphenylphosphine)gold(I)
• Authors of publication: Mohamed, Ahmed A.; Rabinovich, Daniel; Fackler, John P. Jr
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m726 - m727
• a: 20.7037 ± 0.0012 Å
• b: 8.687 ± 0.0005 Å
• c: 15.2487 ± 0.0009 Å
• α: 90°
• β: 95.643 ± 0.001°
• γ: 90°
• Cell volume: 2729.2 ± 0.3 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: 0.0535
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes