Information card for entry 4114541

Structure parameters

• Formula: C26 H33 Au F5 P
• Calculated formula: C26 H33 Au F5 P
• SMILES: [Au](C#Cc1c(F)c(F)c(F)c(F)c1F)[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: 11.573 ± 0.002 Å
• b: 8.533 ± 0.002 Å
• c: 14.077 ± 0.003 Å
• α: 90°
• β: 106.87 ± 0.03°
• γ: 90°
• Cell volume: 1330.3 ± 0.5 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No