Information card for entry 7108455

Structure parameters

• Formula: C40 H42 Cl3 Ir N2
• Calculated formula: C40 H42 Cl3 Ir N2
• Title of publication: Room temperature tandem hydroamination and hydrosilation/protodesilation catalysis by a tricarbonylchromium-bound iridacycle
• Authors of publication: Wissam Iali; Frederic La Paglia; Xavier-Frederic Le Goff; Dusan Sredojevic; Michel Pfeffer; Jean-Pierre Djukic
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10310
• a: 10.572 ± 0.001 Å
• b: 12.13 ± 0.001 Å
• c: 14.836 ± 0.001 Å
• α: 101.006 ± 0.001°
• β: 103.841 ± 0.001°
• γ: 98.418 ± 0.001°
• Cell volume: 1776.1 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No