Information card for entry 7103329

Structure parameters

• Formula: C54 H71 F12 Ir2 N9 P2
• Calculated formula: C54 H71 F12 Ir2 N9 P2
• 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: 46.8657 ± 0.0011 Å
• b: 12.7769 ± 0.0004 Å
• c: 20.6145 ± 0.0004 Å
• α: 90°
• β: 112.869 ± 0.001°
• γ: 90°
• Cell volume: 11373.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No