Information card for entry 7017024

Structure parameters

• Formula: C16 H20 Au N4 O4 P S
• Calculated formula: C16 H20 Au N4 O4 P S
• SMILES: [Au](Sc1nc2c(o1)cccc2)[P]12CN(CN(C2)CN(C1)C(=O)C)C(=O)C.O
• Title of publication: Thiolato gold(i) complexes containing water-soluble phosphane ligands: a characterization of their chemical and biological properties.
• Authors of publication: Vergara, Elena; Cerrada, Elena; Clavel, Catherine; Casini, Angela; Laguna, Mariano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 41
• Pages of publication: 10927 - 10935
• a: 6.0539 ± 0.001 Å
• b: 10.5087 ± 0.0018 Å
• c: 15.828 ± 0.003 Å
• α: 97.007 ± 0.003°
• β: 96.101 ± 0.003°
• γ: 98.188 ± 0.003°
• Cell volume: 981.4 ± 0.3 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: 0.0481
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No