Information card for entry 7102933

Structure parameters

• Formula: C51 H59 Cl2 F6 Ir N2 P2
• Calculated formula: C51 H59 Cl2 F6 Ir N2 P2
• Title of publication: Highly active iridium(I) complexes for catalytic hydrogen isotope exchange.
• Authors of publication: Brown, Jack A; Irvine, Stephanie; Kennedy, Alan R; Kerr, William J; Andersson, Shalini; Nilsson, Göran N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 9
• Pages of publication: 1115 - 1117
• a: 10.8482 ± 0.0003 Å
• b: 13.8711 ± 0.0003 Å
• c: 17.1765 ± 0.0005 Å
• α: 80.229 ± 0.002°
• β: 76.144 ± 0.002°
• γ: 76.183 ± 0.002°
• Cell volume: 2419.42 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No