Information card for entry 4068993

Structure parameters

• Formula: C32 H62 Cl2 Ir N O P2
• Calculated formula: C32 H52 Cl2 Ir N O P2
• Title of publication: NH-Tautomerization of Quinolines and 2-Methylpyridine Promoted by a Hydride-Iridium(III) Complex: Importance of the Hydride Ligand
• Authors of publication: Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2276
• a: 20.892 ± 0.005 Å
• b: 21.27 ± 0.005 Å
• c: 8.648 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3842.9 ± 1.6 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: 0.0403
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No