Information card for entry 4065291

Structure parameters

• Formula: C19 H22 B Cl4 Ir N2 S2
• Calculated formula: C19 H22 B Cl4 Ir N2 S2
• Title of publication: Scorpionate Ligands Based on 2-Mercaptopyridine: A Ligand with a Greater Propensity To Sting?
• Authors of publication: Dyson, Gavin; Zech, Alexander; Rawe, Benjamin W.; Haddow, Mairi F.; Hamilton, Alexander; Owen, Gareth R.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5844
• a: 14.7115 ± 0.0013 Å
• b: 12.34 ± 0.0011 Å
• c: 12.0643 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2190.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No