Information card for entry 4323162

Structure parameters

• Formula: C52 H44 N8 O4 P2 Ru S2
• Calculated formula: C52 H44 N8 O4 P2 Ru S2
• SMILES: [Ru]12(SC(N)=[N]1/N=C/c1ccc(N(=O)=O)cc1)(SC(N)=[N]2/N=C/c1ccc(N(=O)=O)cc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Unusual Coordination Mode of Thiosemicarbazone Ligand. Synthesis, Structure, and Redox Properties of Some Ruthenium and Osmium Complexes
• Authors of publication: Falguni Basuli; Michael Ruf; Cortlandt G. Pierpont; Samaresh Bhattacharya
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6113 - 6116
• a: 11.4528 ± 0.0013 Å
• b: 11.996 ± 0.002 Å
• c: 18.347 ± 0.002 Å
• α: 98.56 ± 0.013°
• β: 94.313 ± 0.01°
• γ: 103.531 ± 0.01°
• Cell volume: 2407.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.029
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No