Information card for entry 4335047

Structure parameters

• Formula: C30 H30 Au N2 O3 P S
• Calculated formula: C30 H30 Au N2 O3 P S
• SMILES: [Au](Sc1ncccc1C(=O)N[C@@H](C(C)C)C(=O)OC)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of New Gold(I) Thiolates Containing Amino Acid Moieties with Potential Biological Interest
• Authors of publication: Alejandro Gutiérrez; Javier Bernal; M. Dolores Villacampa; Carlos Cativiela; Antonio Laguna; M. Concepción Gimeno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6473 - 6480
• a: 12.9541 ± 0.0002 Å
• b: 14.5853 ± 0.0003 Å
• c: 15.0967 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2852.36 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No