Information card for entry 7033185

Structure parameters

• Formula: C52 H46 F18 N10 O19 P3 Ru2
• Calculated formula: C52 H46 F18 N10 O19 P3 Ru2
• Title of publication: [Ru(V)(NCN-Me)(bpy)([double bond, length as m-dash]O)](3+) Mediates efficient C-H bond oxidation from NADH analogs in aqueous media rather than water oxidation.
• Authors of publication: Patel, Jully; Majee, Karunamay; Ahma Combining Dot Below D, Ejaz; Tanaka, Koji; Padhi, Sumanta Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 920 - 923
• a: 33.8194 ± 0.0006 Å
• b: 14.7155 ± 0.0002 Å
• c: 15.5146 ± 0.0003 Å
• α: 90°
• β: 108.585 ± 0.001°
• γ: 90°
• Cell volume: 7318.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1052
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.2005
• 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: Yes
• Has Fobs: No