Information card for entry 7027619

Structure parameters

• Formula: C29 H31 Cl N O3 P Ru S2
• Calculated formula: C29 H31 Cl N O3 P Ru S2
• SMILES: [Ru]12(Cl)([N](=Cc3c(O1)cccc3)c1c([P]2(c2ccccc2)c2ccccc2)cccc1)([S](=O)(C)C)[S](=O)(C)C
• Title of publication: Complexes of ruthenium with tridentate [P,N,O] ligands
• Authors of publication: Bhattacharyya, Pravat; Loza, Maria L.; Parr, Jonathan; Slawin, Alexandra M. Z.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 2917
• a: 9.5381 ± 0.0002 Å
• b: 12.0819 ± 0.0002 Å
• c: 13.0204 ± 0.0002 Å
• α: 76.461 ± 0.001°
• β: 82.001 ± 0.001°
• γ: 80.014 ± 0.001°
• Cell volume: 1429.02 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.0765
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No