Information card for entry 7040254

Structure parameters

• Formula: C27 H20 Au N5 S
• Calculated formula: C27 H20 Au N5 S
• SMILES: [Au](Sc1ncccc1)=C1N(C=CN1c1c2ccccc2nc2ccccc12)Cc1ncccc1
• Title of publication: Cytotoxicity and biodistribution studies of luminescent Au(i) and Ag(i) N-heterocyclic carbenes. Searching for new biological targets.
• Authors of publication: Visbal, Renso; Fernández-Moreira, Vanesa; Marzo, Isabel; Laguna, Antonio; Gimeno, M Concepción
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 38
• Pages of publication: 15026 - 15033
• a: 11.8017 ± 0.0003 Å
• b: 12.0237 ± 0.0002 Å
• c: 17.0165 ± 0.0004 Å
• α: 90°
• β: 106.109 ± 0.002°
• γ: 90°
• Cell volume: 2319.83 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No