Information card for entry 7062766

Structure parameters

• Chemical name: C51H38Cl2N4O5P2RuS2
• Formula: C51 H38 Cl1.8 N4 O4.2 P2 Ru S2
• Calculated formula: C51 H38 Cl1.8 N4 O4.2 P2 Ru S2
• Title of publication: Ruthenium-hydride-mediated stabilisation of the azo anion radical of azobis(benzothiazole) and its reversible electron-reservoir feature
• Authors of publication: Singh, Aditi; Seikh, Liton; Dey, Sanchaita; Lahiri, Goutam Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 42
• Pages of publication: 19428 - 19438
• a: 19.497 ± 0.0003 Å
• b: 14.2023 ± 0.0002 Å
• c: 32.8171 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9087.1 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No