Information card for entry 4072801

Structure parameters

• Formula: C18 H26 Cl Ir O
• Calculated formula: C18 H26 Cl Ir O
• Title of publication: [Cp*IrCl2]2-Assisted C⋮C Bond Cleavage with Water: An Experimental and Computational Study
• Authors of publication: Sridevi, Venugopal Shanmugham; Fan, Wai Yip; Leong, Weng Kee
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 1173
• a: 7.0618 ± 0.0006 Å
• b: 10.9572 ± 0.0009 Å
• c: 12.0565 ± 0.001 Å
• α: 94.249 ± 0.002°
• β: 105.388 ± 0.002°
• γ: 96.32 ± 0.002°
• Cell volume: 888.78 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.0318
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No