Information card for entry 4116275

Structure parameters

• Formula: C35.5 H5 B Cl Ir N6 O2
• Calculated formula: C35.5 H45 B Cl Ir N6 O2
• Title of publication: Activation of Aldehydes by the Ir-2,3-Dimethylbutadiene Complex TpMe2Ir(CH2C(Me)C(Me)CH2)
• Authors of publication: Enrique Gutiérrez-Puebla; Angeles Monge; Margarita Paneque; Manuel L. Poveda; Verónica Salazar; Ernesto Carmona
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 248 - 249
• a: 8.1922 ± 0.0006 Å
• b: 20.794 ± 0.001 Å
• c: 21.859 ± 0.002 Å
• α: 90°
• β: 98.922 ± 0.001°
• γ: 90°
• Cell volume: 3678.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections: 0.1706
• Weighted residual factors for significantly intense reflections: 0.1658
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for significantly intense reflections: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No