Information card for entry 4304464

Structure parameters

• Formula: C42 H44.25 Cl3 N8.75 O11.5 Ru
• Calculated formula: C42 H38 Cl3 N8.75 O11.5 Ru
• Title of publication: Electrochemiluminescence of Ruthenium(II) Complexes Functionalized with Crown Ether Pendants and Effects of Cation Binding
• Authors of publication: Mei-Jin Li; Zuofeng Chen; Nianyong Zhu; Vivian Wing-Wah Yam; Yanbing Zu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1218 - 1223
• a: 30.258 ± 0.006 Å
• b: 15.656 ± 0.003 Å
• c: 20.218 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9578 ± 3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No