Information card for entry 7707945

Structure parameters

• Formula: C17 H18 N O4 Ru S2
• Calculated formula: C17 H18 N O4 Ru S2
• Title of publication: Redox induced S-S bond cleavage of 2,2'-dithiobisbenzothiazole - leading to a [2Ru-2S] core analogous to [2Fe-2S] cluster.
• Authors of publication: Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 36
• Pages of publication: 12408 - 12412
• a: 20.7932 ± 0.0007 Å
• b: 9.0294 ± 0.0002 Å
• c: 20.3219 ± 0.0005 Å
• α: 90°
• β: 102.513 ± 0.003°
• γ: 90°
• Cell volume: 3724.81 ± 0.18 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No