Information card for entry 7710197

Structure parameters

• Formula: C39.05 H42.55 Cl4.01 N6 O11.89 Ru2 S3
• Calculated formula: C38.0505 H40.553 Cl2.005 N6 O11.887 Ru2 S3
• Title of publication: Diruthenium and triruthenium compounds of potential redox active non-chelated 1-N,1-N-benzothiadiazole bridge
• Authors of publication: Dey, Sanchaita; Hazari, Arijit Singha; Mobin, Shaikh M.; Lahiri, Goutam Kumar
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.9761 ± 0.0004 Å
• b: 19.02 ± 0.0005 Å
• c: 19.8607 ± 0.0003 Å
• α: 115.273 ± 0.002°
• β: 97.684 ± 0.002°
• γ: 90.042 ± 0.002°
• Cell volume: 5059.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2247
• Weighted residual factors for all reflections included in the refinement: 0.2442
• 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