Information card for entry 2211207

Structure parameters

• Formula: C25 H42 Au N4 O P S
• Calculated formula: C25 H42 Au N4 O P S
• SMILES: [Au](Sc1ncnc2[nH]cnc12)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.OCC
• Title of publication: (6-Mercaptopurinato)(tricyclohexylphosphine)gold(I) ethanol solvate
• Authors of publication: Ho, Soo Yei; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2855 - m2857
• a: 20.3453 ± 0.001 Å
• b: 7.7096 ± 0.0004 Å
• c: 17.3224 ± 0.0009 Å
• α: 90°
• β: 90.52 ± 0.001°
• γ: 90°
• Cell volume: 2717 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes