Information card for entry 4114540

Structure parameters

• Formula: C27 H37 Au F3 P
• Calculated formula: C27 H37 Au F3 P
• SMILES: [Au](C#Cc1ccc(cc1)C(F)(F)F)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Polymorphic Forms of a Gold(I) Arylacetylide Complex with Contrasting Phosphorescent Characteristics
• Authors of publication: Wei Lu; Nianyong Zhu; Chi-Ming Che
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 16081 - 16088
• a: 12.316 ± 0.003 Å
• b: 16.415 ± 0.003 Å
• c: 12.889 ± 0.003 Å
• α: 90°
• β: 98.54 ± 0.03°
• γ: 90°
• Cell volume: 2576.8 ± 1 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No