Information card for entry 7103332

Structure parameters

• Formula: C22.5 H32 Cl I2 Ir N4 O S
• Calculated formula: C22.5 H32 Cl I2 Ir N4 O S
• Title of publication: An unprecedented, figure-of-eight, dinuclear iridium(I) dicarbene and new iridium(III) 'pincer' complexes.
• Authors of publication: Raynal, Matthieu; Cazin, Catherine S J; Vallée, Christophe; Olivier-Bourbigou, Hélène; Braunstein, Pierre
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 34
• Pages of publication: 3983 - 3985
• a: 13.1064 ± 0.0002 Å
• b: 14.8675 ± 0.0004 Å
• c: 16.784 ± 0.0004 Å
• α: 73.148 ± 0.001°
• β: 74.932 ± 0.001°
• γ: 64.757 ± 0.001°
• Cell volume: 2795.84 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No