Information card for entry 7003546

Structure parameters

• Formula: C26 H22 N P S
• Calculated formula: C26 H22 N P S
• SMILES: P(c1ccccc1/C=N/c1ccccc1SC)(c1ccccc1)c1ccccc1
• Title of publication: Ruthenium complexes with tridentate PNX (X = O, S) donor ligands
• Authors of publication: Bayly, Simon R.; Cowley, Andrew R.; Dilworth, Jonathan R.; Ward, Caroline V.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 16
• Pages of publication: 2190 - 2198
• a: 10.4453 ± 0.0004 Å
• b: 15.2797 ± 0.0006 Å
• c: 13.4194 ± 0.0005 Å
• α: 90°
• β: 97.7604 ± 0.0006°
• γ: 90°
• Cell volume: 2122.13 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No