Information card for entry 7033191

Structure parameters

• Formula: C19 H14 Au N4 O3 P S
• Calculated formula: C19 H14 Au N4 O3 P S
• SMILES: [Au](Sc1n(nnn1)c1ccccc1)[P](c1occc1)(c1occc1)c1occc1
• Title of publication: Gold(I) thiotetrazolates as thioredoxin reductase inhibitors and antiproliferative agents.
• Authors of publication: Serebryanskaya, Tatiyana V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Schur, Julia; Frias, Corazon; Prokop, Aram; Ott, Ingo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1161 - 1169
• a: 13.7981 ± 0.0001 Å
• b: 13.0813 ± 0.0001 Å
• c: 22.1996 ± 0.0003 Å
• α: 90°
• β: 91.0696 ± 0.0005°
• γ: 90°
• Cell volume: 4006.26 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No