Information card for entry 4321590

Structure parameters

• Formula: C22 H18 Au N2 P S
• Calculated formula: C22 H18 Au N2 P S
• SMILES: [Au](Sc1ncccc1)[P](c1ncccc1)(c1ccccc1)c1ccccc1
• Title of publication: A Gold(I) Mononuclear Complex and Its Association into Binuclear and Cluster Compounds by Hydrogen Bonding or Metal Ion Coordination
• Authors of publication: Leijun Hao; M. Adnan Mansour; Rene J. Lachicotte; Henry J. Gysling; Richard Eisenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5520 - 5529
• a: 8.3975 ± 0.0004 Å
• b: 11.0237 ± 0.0005 Å
• c: 12.4105 ± 0.0006 Å
• α: 98.674 ± 0.001°
• β: 105.354 ± 0.001°
• γ: 110.962 ± 0.001°
• Cell volume: 995.33 ± 0.08 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.0904
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No