Information card for entry 1512459

Structure parameters

• Formula: C46 H38 Au2 F6 N2 O7 P2 S2
• Calculated formula: C46 H38 Au2 F6 N2 O7 P2 S2
• SMILES: [O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.C[P](c1ccccc1)(c1ccccc1)[Au][n]1ccc2c(c1c1[n](ccc3c1cccc3)[Au][P](c1ccccc1)(c1ccccc1)C)cccc2.O
• 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: 11.769 ± 0.008 Å
• b: 13.871 ± 0.01 Å
• c: 16.878 ± 0.012 Å
• α: 80.849 ± 0.012°
• β: 74.947 ± 0.011°
• γ: 67.006 ± 0.011°
• Cell volume: 2444 ± 3 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: 0.066
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No