Information card for entry 4113856

Structure parameters

• Common name: compound(1b)
• Formula: C132 H104 Au8 F9 N8 O22 P8 S4
• Calculated formula: C132 H104 Au8 F9 N8 O22 P8 S4
• SMILES: [Au]12[Au]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Sc1n2c(=O)cc(n1)C.C(C(=O)[O-])(F)(F)F.OC.OC.O.O
• Title of publication: Luminescence Tribochromism and Bright Emission in Gold(I) Thiouracilate Complexes
• Authors of publication: Young-A Lee; Richard Eisenberg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 7778 - 7779
• a: 13.8976 ± 0.0012 Å
• b: 21.5548 ± 0.0019 Å
• c: 26.928 ± 0.002 Å
• α: 84.383 ± 0.002°
• β: 77.259 ± 0.002°
• γ: 83.48 ± 0.002°
• Cell volume: 7794.9 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.078
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No