Information card for entry 2013187

Structure parameters

• Common name: Gold sulfadiazine
• Chemical name: [4-Amino-N-(pyrimidin-2-yl)benzenesulfonamido-κN](triphenylphosphine- κP)gold(I)
• Formula: C28 H24 Au N4 O2 P S
• Calculated formula: C28 H24 Au N4 O2 P S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)N(c1ncccn1)S(=O)(=O)c1ccc(cc1)N
• Title of publication: [4-Amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido-κ<i>N</i>](triphenylphosphine-κ<i>P</i>)gold(I)
• Authors of publication: Schulz Lang, Ernesto; Burrow, Robert Alan; Marques, Lenice de Lourenço
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m95 - m96
• a: 11.878 ± 0.005 Å
• b: 13.329 ± 0.005 Å
• c: 16.677 ± 0.005 Å
• α: 90°
• β: 104.085 ± 0.005°
• γ: 90°
• Cell volume: 2561 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes