Information card for entry 4112127

Structure parameters

• Formula: C32 H60 Cl Ir N P2
• Calculated formula: C32 H60 Cl Ir N P2
• Title of publication: C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand
• Authors of publication: Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 18074 - 18084
• a: 8.9291 ± 0.0004 Å
• b: 11.4598 ± 0.0005 Å
• c: 18.4112 ± 0.0008 Å
• α: 84.507 ± 0.001°
• β: 82.528 ± 0.001°
• γ: 70.603 ± 0.001°
• Cell volume: 1759.14 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0321
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No