Information card for entry 4334239

Structure parameters

• Formula: C27 H20 Cl2 N8 O8 Ru
• Calculated formula: C27 H20 Cl2 N8 O8 Ru
• 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: 9.6495 ± 0.0013 Å
• b: 12.3186 ± 0.0019 Å
• c: 15.199 ± 0.003 Å
• α: 85.888 ± 0.009°
• β: 77.75 ± 0.006°
• γ: 77.536 ± 0.008°
• Cell volume: 1723.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No