Information card for entry 7001221

Structure parameters

• Formula: C43 H46 Cl4 N5 O3 P2 Ru S2
• Calculated formula: C43 H42 Cl4 N5 O3 P2 Ru S2
• SMILES: [Ru](Cl)(Cl)([S](C)(=O)C)(Cl)(Cl)[n]1nc2SCC(=Nn2c1)C.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O
• Title of publication: Synthesis, structural characterisation and solution chemistry of ruthenium(III) triazole-thiadiazine complexes
• Authors of publication: Delferro, Massimiliano; Marchiò, Luciano; Tegoni, Matteo; Tardito, Saverio; Franchi-Gazzola, Renata; Lanfranchi, Maurizio
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3766 - 3773
• a: 10.277 ± 0.004 Å
• b: 31.887 ± 0.009 Å
• c: 14.738 ± 0.007 Å
• α: 90°
• β: 104.333 ± 0.009°
• γ: 90°
• Cell volume: 4679 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.688
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No