Information card for entry 7055932

Structure parameters

• Formula: C31 H30 Au Br N2 O4
• Calculated formula: C31 H30 Au Br N2 O4
• SMILES: [Au](Br)=C1N(C=CN1c1c(C)cc(cc1C)C)CCCCOc1cc(O)c2c(OC(c3ccccc3)=CC2=O)c1
• Title of publication: Chrysin functionalized NHC‒Au(i) complexes: synthesis, characterization and effects on the nematode Caenorhabditis elegans
• Authors of publication: Rendón-Nava, David; Mendoza-Espinosa, Daniel; Negrón-Silva, Guillermo E.; Téllez-Arreola, José Luis; Martínez-Torres, Ataúlfo; Valdez-Calderón, Alejandro; González-Montiel, Simplicio
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 2013
• a: 9.1831 ± 0.0006 Å
• b: 10.8161 ± 0.0006 Å
• c: 29.4087 ± 0.0015 Å
• α: 90°
• β: 91.0802 ± 0.0013°
• γ: 90°
• Cell volume: 2920.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No