Information card for entry 4334238

Structure parameters

• Formula: C34 H25 Cl2 N7 O8 Ru
• Calculated formula: C34 H25 Cl2 N7 O8 Ru
• SMILES: [Ru]1234([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)C#C)c1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Modular Synthesis of Alkyne-Substituted Ruthenium Polypyridyl Complexes Suitable for "Click" Coupling
• Authors of publication: James B. Gerken; Matthew L. Rigsby; Rose E. Ruther; Riviam J. Pérez-Rodríguez; Ilia A. Guzei; Robert J. Hamers; Shannon S. Stahl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2796 - 2798
• a: 29.0382 ± 0.0016 Å
• b: 9.5447 ± 0.0005 Å
• c: 24.53 ± 0.0015 Å
• α: 90°
• β: 102.191 ± 0.003°
• γ: 90°
• Cell volume: 6645.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No