Information card for entry 4078898

Structure parameters

• Formula: C38 H24 B F4 Ir N4 O2
• Calculated formula: C38 H24 B F4 Ir N4 O2
• Title of publication: Carbon Monoxide Induced Double Cyclometalation at the Iridium Center
• Authors of publication: Rahaman, S. M. Wahidur; Dinda, Shrabani; Ghatak, Tapas; Bera, Jitendra K.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5533
• a: 18.571 ± 0.0016 Å
• b: 20.5555 ± 0.0019 Å
• c: 9.1403 ± 0.0008 Å
• α: 90°
• β: 107.124 ± 0.001°
• γ: 90°
• Cell volume: 3334.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No