Information card for entry 7102932

Structure parameters

• Formula: C47 H51 F6 Ir N2 O0.5 P2
• Calculated formula: C47 H51 F6 Ir N2 O0.5 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: 11.0693 ± 0.0011 Å
• b: 13.9078 ± 0.0014 Å
• c: 15.0418 ± 0.0016 Å
• α: 88.499 ± 0.003°
• β: 75.174 ± 0.003°
• γ: 87.285 ± 0.004°
• Cell volume: 2235.8 ± 0.4 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: 0.0757
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No