Information card for entry 7027111

Structure parameters

• Formula: C57 H43 Cl3 N12 O13 Ru2 S2
• Calculated formula: C57 H41 Cl3 N12 O13 Ru2 S2
• SMILES: [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1c2ccccc2sc1c1n3[n]2[Ru]34([n]5c(c6[n]3cccc6)cccc5)([n]3ccccc3c3[n]4cccc3)[n]3c(sc4ccccc34)c2c1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Synthesis, structure, redox activity and spectroscopic properties of ruthenium(II) complexes with 3,5-bis(benzothiazol-2-yl)pyrazole, 3,5-bis(benzimidazol-2-yl)pyrazole and 2,2′-bipyridine as co-ligands
• Authors of publication: Baitalik, Sujoy; Flörke, Ulrich; Nag, Kamalaksha
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 5
• Pages of publication: 719
• a: 11.489 ± 0.005 Å
• b: 41.653 ± 0.02 Å
• c: 13.086 ± 0.004 Å
• α: 90°
• β: 91.6 ± 0.02°
• γ: 90°
• Cell volume: 6260 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2109
• Residual factor for significantly intense reflections: 0.1073
• Weighted residual factors for significantly intense reflections: 0.2883
• Weighted residual factors for all reflections included in the refinement: 0.3827
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No