Information card for entry 4114538

Structure parameters

• Formula: C26 H37 Au N O2 P
• Calculated formula: C26 H37 Au N O2 P
• SMILES: [Au](C#Cc1ccc(N(=O)=O)cc1)[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: 9.381 ± 0.0019 Å
• b: 10.029 ± 0.002 Å
• c: 14.374 ± 0.003 Å
• α: 108.53 ± 0.03°
• β: 93.02 ± 0.03°
• γ: 98.31 ± 0.03°
• Cell volume: 1261.7 ± 0.5 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No