Information card for entry 7054448

Structure parameters

• Formula: C33 H24 Au N2 O3 P
• Calculated formula: C33 H24 Au N2 O3 P
• SMILES: [Au](C#Cc1ccc(NC(=O)c2ccc(N(=O)=O)cc2)cc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, characterization, photophysics, and anion binding properties of gold(i) acetylide complexes with amide groups
• Authors of publication: Shi, Hua-Yun; Qi, Jie; Zhao, Zhen-Ze; Feng, Wen-Juan; Li, Yu-Hao; Sun, Lu; Lin, Zhuo-Jia; Chao, Hsiu-Yi
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 12
• Pages of publication: 6168
• a: 8.7748 ± 0.0018 Å
• b: 9.1491 ± 0.0018 Å
• c: 17.558 ± 0.004 Å
• α: 93.54 ± 0.03°
• β: 97.12 ± 0.03°
• γ: 98.33 ± 0.03°
• Cell volume: 1379.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No