Information card for entry 1512461

Structure parameters

• Formula: C37 H27 Au F3 N2 O3 P S
• Calculated formula: C37 H27 Au F3 N2 O3 P S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(c2c(cc1)cccc2)c1nccc2c1cccc2.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Mono- and dinuclear luminescent 1,1'-biisoquinoline gold(I) complexes
• Authors of publication: Manuel Bardaji; Ana B. Miguel-Coello; Pablo Espinet
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 91 - 98
• a: 12.002 ± 0.004 Å
• b: 12.384 ± 0.004 Å
• c: 13.753 ± 0.005 Å
• α: 89.31 ± 0.007°
• β: 68.336 ± 0.006°
• γ: 63.986 ± 0.006°
• Cell volume: 1679.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No