Information card for entry 7700579

Structure parameters

• Formula: C25 H21 Cl2 N5 O9 Ru
• Calculated formula: C25 H21 Cl2 N5 O9 Ru
• Title of publication: Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes.
• Authors of publication: Kotani, Hiroaki; Shimomura, Hinatsu; Horimoto, Momoka; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Yanagisawa, Sachiko; Kawahara-Nakagawa, Yuka; Kubo, Minoru; Kojima, Takahiko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 35
• Pages of publication: 13154 - 13161
• a: 13.4843 ± 0.0011 Å
• b: 17.0634 ± 0.0013 Å
• c: 12.1072 ± 0.0012 Å
• α: 90°
• β: 103.683 ± 0.009°
• γ: 90°
• Cell volume: 2706.7 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.1223
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No