Information card for entry 4083128

Structure parameters

• Formula: C80.5 H76.5 Au4 F6 O5.375 P3
• Calculated formula: C80.5 H76.5 Au4 F6 O5.375 P3
• SMILES: [C]12#[C](C(c3ccccc3)(c3ccccc3)O)[Au]1[P](c1ccccc1)(c1ccccc1)CCCC[P](c1ccccc1)(c1ccccc1)[Au]1[C](#[C]1C(c1ccccc1)(c1ccccc1)O)[Au]1[C](#[C]1C(c1ccccc1)(c1ccccc1)O)[Au]2.CC(=O)C.CC(=O)C.CCOCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescent Gold(I) Alkynyl Clusters Stabilized by Flexible Diphosphine Ligands
• Authors of publication: Koshevoy, Igor O.; Chang, Yuh-Chia; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Jänis, Janne; Pakkanen, Tapani A.; Chou, Pi-Tai
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2363
• a: 18.9034 ± 0.0008 Å
• b: 19.2675 ± 0.0008 Å
• c: 21.7282 ± 0.0009 Å
• α: 88.392 ± 0.002°
• β: 86.507 ± 0.002°
• γ: 86.23 ± 0.002°
• Cell volume: 7879.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No