Information card for entry 1514742

Structure parameters

• Formula: C45 H50 Au2 Cl N2 P
• Calculated formula: C45 H50 Au2 Cl N2 P
• SMILES: CC(c1cccc(C(C)C)c1N1C=C([Au][P](c2ccccc2)(c2ccccc2)c2ccccc2)N(c2c(cccc2C(C)C)C(C)C)C1=[Au]Cl)C
• Title of publication: Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion
• Authors of publication: Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 4259
• a: 9.2833 ± 0.0003 Å
• b: 14.4759 ± 0.0003 Å
• c: 16.9188 ± 0.0004 Å
• α: 68.109 ± 0.002°
• β: 81.38 ± 0.002°
• γ: 86.27 ± 0.002°
• Cell volume: 2085.74 ± 0.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No