Information card for entry 7244647

Structure parameters

• Formula: C7 H13 Au N3 P S
• Calculated formula: C7 H13 Au N3 P S
• SMILES: [Au](Sc1nccc(n1)N)[P](C)(C)C
• Title of publication: Spontaneous in situ generation of photoemissive aurophilic oligomers in water solution based on the 2-thiocytosine ligand
• Authors of publication: Blasco, Daniel; Rodríguez-Castillo, María; Olmos, M. Elena; Monge, Miguel; López-de-Luzuriaga, José M.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 14
• Pages of publication: 8466 - 8473
• a: 10.024 ± 0.0006 Å
• b: 11.6716 ± 0.0008 Å
• c: 19.0849 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2232.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No