Information card for entry 4334237

Structure parameters

• Formula: C37.83 H44.75 Br0.08 Cl2 N8.92 O9 Ru Si
• Calculated formula: C37.822 H44.733 Br0.089 Cl2 N8.911 O9 Ru Si
• 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: 8.4875 ± 0.0003 Å
• b: 9.5962 ± 0.0004 Å
• c: 26.8766 ± 0.0011 Å
• α: 86.256 ± 0.003°
• β: 83.703 ± 0.003°
• γ: 84.879 ± 0.003°
• Cell volume: 2163.74 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No