Information card for entry 4318535

Structure parameters

• Common name: Irdppm-1
• Chemical name: Irdppm-1
• Formula: C44.5 H43.5 B Ir N6 P2
• Calculated formula: C43 H44.5 B Ir N6 P2
• Title of publication: Novel Intramolecular C-H Bond Activation in an Iridium dppm Complex
• Authors of publication: Jackson S. Wiley; D. M. Heinekey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4961 - 4966
• a: 10.1678 ± 0.0002 Å
• b: 10.526 ± 0.0002 Å
• c: 18.9275 ± 0.0003 Å
• α: 87.126 ± 0.001°
• β: 87.871 ± 0.001°
• γ: 80.643 ± 0.001°
• Cell volume: 1995.41 ± 0.06 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 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: 0.0505
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No