Information card for entry 4077405

Structure parameters

• Formula: C49 H48 B F4 N O P3 Rh
• Calculated formula: C49 H42 B F4 N O P3 Rh
• SMILES: [Rh]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1c(CN(C(=[O]2)CC)C)cccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Cyclometalation Reactions on Rhodium(I). Evidence for a Chelate Effect and Competing C−H and C−O Oxidative Additions
• Authors of publication: Sjövall, Sven; Andersson, Carlaxel; Wendt, Ola F.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 23
• Pages of publication: 4919
• a: 11.4318 ± 0.0006 Å
• b: 13.0682 ± 0.0006 Å
• c: 15.9971 ± 0.0008 Å
• α: 85.439 ± 0.001°
• β: 84.388 ± 0.001°
• γ: 71.046 ± 0.001°
• Cell volume: 2246.55 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1755
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No