Information card for entry 4337245

Structure parameters

• Formula: C46 H42 Au2 N4 P2 S4
• Calculated formula: C46 H42 Au2 N4 P2 S4
• SMILES: c1([P]([Au]SC(=S)n2c3c(cn2)cccc3)(c2ccccc2)CCCCCC[P](c2ccccc2)([Au]SC(=S)n2c3c(cn2)cccc3)c2ccccc2)ccccc1
• Title of publication: Phosphinogold(I) dithiocarbamate complexes: effect of the nature of phosphine ligand on anticancer properties.
• Authors of publication: Keter, Frankline K.; Guzei, Ilia A.; Nell, Margo; Zyl, Werner E van; Darkwa, James
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 2058 - 2067
• a: 13.499 ± 0.011 Å
• b: 11.56 ± 0.019 Å
• c: 15.396 ± 0.015 Å
• α: 90°
• β: 108.6 ± 0.06°
• γ: 90°
• Cell volume: 2277 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No