Information card for entry 7017884

Structure parameters

• Formula: C58 H77 F12 Ir2 N11 P2
• Calculated formula: C58 H77 F12 Ir2 N11 P2
• Title of publication: Chiral anion-based NMR enantiodiscrimination of a dinuclear, cationic Ir(I) NHC complex with a figure-of-eight loop structure.
• Authors of publication: Liu, Xianghao; Lacour, Jérôme; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 138 - 142
• a: 13.5384 ± 0.0003 Å
• b: 14.6695 ± 0.0003 Å
• c: 16.8574 ± 0.0004 Å
• α: 95.126 ± 0.001°
• β: 101.316 ± 0.001°
• γ: 107.014 ± 0.001°
• Cell volume: 3100.45 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No