Information card for entry 4329043

Structure parameters

• Formula: C33 H25 Au N3 O3 P
• Calculated formula: C33 H25 Au N3 O3 P
• SMILES: [Au](C#Cc1ccc(NC(=O)Nc2ccc(N(=O)=O)cc2)cc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Mononuclear Gold(I) Acetylide Complexes with Urea Group: Synthesis, Characterization, Photophysics, and Anion Sensing Properties
• Authors of publication: Zhou, Yu-Peng; Zhang, Mei; Li, Yu-Hao; Guan, Qi-Rui; Wang, Fang; Lin, Zhuo-Jia; Lam, Chi-Keung; Feng, Xiao-Long; Chao, Hsiu-Yi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 5099 - 5109
• a: 12.4658 ± 0.0013 Å
• b: 13.2527 ± 0.0014 Å
• c: 17.6175 ± 0.0018 Å
• α: 85.927 ± 0.002°
• β: 72.613 ± 0.002°
• γ: 87.304 ± 0.002°
• Cell volume: 2769.5 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No