Information card for entry 7001222

Structure parameters

• Formula: C44 H50 Cl4 N5 O4 P2 Ru S2
• Calculated formula: C44 H50 Cl4 N5 O4 P2 Ru S2
• SMILES: [Ru](Cl)(Cl)([S](=O)(C)C)(Cl)(Cl)[n]1nc(n2N=C(CSc12)C)C.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.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: 11.063 ± 0.002 Å
• b: 14.691 ± 0.003 Å
• c: 30.977 ± 0.006 Å
• α: 90°
• β: 99.83 ± 0.02°
• γ: 90°
• Cell volume: 4960.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0975
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.063
• 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