Information card for entry 4068568

Structure parameters

• Formula: C40 H27 B Cl2 N17 P Ru
• Calculated formula: C40 H27 B Cl2 N17 P Ru
• SMILES: [BH]12n3ccc[n]3[Ru]([n]3cccn13)([n]1cccn21)(n1nnc(C(=C(C#N)C#N)C#N)n1)([N]#CC(=C(C#N)C#N)C#N)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 16.0435 ± 0.0012 Å
• b: 13.2513 ± 0.0012 Å
• c: 21.3258 ± 0.0017 Å
• α: 90°
• β: 110.051 ± 0.005°
• γ: 90°
• Cell volume: 4259 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1557
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No