Information card for entry 4335046

Structure parameters

• Formula: C27 H24 Au N2 O3 P S
• Calculated formula: C27 H24 Au N2 O3 P S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ncccc1C(=O)NCC(=O)OC
• 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: 8.6614 ± 0.0012 Å
• b: 13.3979 ± 0.0019 Å
• c: 23.497 ± 0.003 Å
• α: 73.94 ± 0.002°
• β: 86.356 ± 0.003°
• γ: 76.467 ± 0.003°
• Cell volume: 2547.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0858
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No