Information card for entry 7102931

Structure parameters

• Formula: C37.35 H48.3 Cl0.7 F6 Ir N2 O0.3 P2
• Calculated formula: C37.35 H47 Cl0.7 F6 Ir N2 O0.3 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: 11.4652 ± 0.0002 Å
• b: 13.3037 ± 0.0002 Å
• c: 14.1374 ± 0.0003 Å
• α: 86.555 ± 0.001°
• β: 67.108 ± 0.001°
• γ: 71.527 ± 0.001°
• Cell volume: 1879.25 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No