Information card for entry 4083123

Structure parameters

• Formula: C121 H110 Au6 F12 O7 P6
• Calculated formula: C121 H110 Au6 F12 O7 P6
• SMILES: [C]12#[C](C(c3ccccc3)(c3ccccc3)O)[Au]1[P](c1ccccc1)(c1ccccc1)CC[P](c1ccccc1)(c1ccccc1)[Au]1[C](#[C]1C(c1ccccc1)(c1ccccc1)O)[Au][C]1#[C](C(c3ccccc3)(c3ccccc3)O)[Au]1[P](c1ccccc1)(c1ccccc1)CC[P](c1ccccc1)(c1ccccc1)[Au]1[C](#[C]1C(c1ccccc1)(c1ccccc1)O)[Au]2.CC(=O)C.CC(=O)C.CC(=O)C.[P](F)(F)(F)(F)(F)[F-].[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: 33.5486 ± 0.001 Å
• b: 33.5486 ± 0.001 Å
• c: 20.9004 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23523.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No