Information card for entry 4068569

Structure parameters

• Formula: C32 H33 B I3 N8 P Ru
• Calculated formula: C32 H33 B I3 N8 P Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3)([NH]=CC=C)[N]#CC.I[I-]I
• Title of publication: Synthesis and Reactivity of Ruthenium Azido Complexes Containing a Hydridotris(pyrazolyl)borate Ligand and Dimerization of Terminal Alkynes in Organic and Aqueous Media
• Authors of publication: Chen, Chien-Kai; Tong, Hung-Chun; Chen Hsu, Chih-Yung; Lee, Chia-Yi; Fong, Yih Hsuan; Chuang, Yao-Shun; Lo, Yih-Hsing; Lin, Ying-Chih; Wang, Yu
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3358
• a: 10.9119 ± 0.0002 Å
• b: 13.033 ± 0.0003 Å
• c: 15.0779 ± 0.0003 Å
• α: 92.503 ± 0.002°
• β: 104.852 ± 0.002°
• γ: 108.897 ± 0.002°
• Cell volume: 1942.04 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No