Information card for entry 7027622

Structure parameters

• Formula: C28 H26 Cl5 N O2 P Ru S
• Calculated formula: C28 H26 Cl5 N O2 P Ru S
• SMILES: [Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3c(cccc3)[N]1=Cc1c(O2)cccc1)[S](=O)(C)C.C(Cl)(Cl)Cl
• 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: 9.7225 ± 0.0002 Å
• b: 10.4699 ± 0.0002 Å
• c: 16.2582 ± 0.0004 Å
• α: 107.859 ± 0.001°
• β: 90.136 ± 0.001°
• γ: 98.515 ± 0.001°
• Cell volume: 1555.86 ± 0.06 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: 0.1034
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections: 0.1843
• Weighted residual factors for significantly intense reflections: 0.1522
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for significantly intense reflections: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No