Information card for entry 4071799

Structure parameters

• Formula: C19 H11 Cl N O2 Rh S
• Calculated formula: C19 H11 Cl N O2 Rh S
• SMILES: [Rh](Cl)([n]1ccccc1c1c2sc3c(c2ccc1)cccc3)(C#[O])C#[O]
• Title of publication: Ruthenium and Rhodium Complexes with Thiolate-Containing Pincer Ligands Produced by C−S Bond Cleavage of Pyridyl-Substituted Dibenzothiophenes
• Authors of publication: Shibue, Mayuko; Hirotsu, Masakazu; Nishioka, Takanori; Kinoshita, Isamu
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 17
• Pages of publication: 4475
• a: 12.494 ± 0.004 Å
• b: 11.358 ± 0.003 Å
• c: 13.889 ± 0.005 Å
• α: 90°
• β: 116.917 ± 0.006°
• γ: 90°
• Cell volume: 1757.4 ± 1 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No