Information card for entry 4069906

Structure parameters

• Formula: C28 H28 B N4 Rh
• Calculated formula: C28 H28 B N4 Rh
• SMILES: [Rh]123456([H][B]1(n1c7[n]2cccc7cc1)(n1c2[n]3cccc2cc1)c1ccccc1)[CH]1=[CH]4CC[CH]5=[CH]6CC1
• Title of publication: Further Exploring the “Sting of the Scorpion”: Hydride Migration and Subsequent Rearrangement of Norbornadiene to Nortricyclyl on Rhodium(I)
• Authors of publication: Tsoureas, Nikolaos; Bevis, Thomas; Butts, Craig P.; Hamilton, Alex; Owen, Gareth R.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5222
• a: 9.143 ± 0.002 Å
• b: 18.813 ± 0.004 Å
• c: 13.705 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2357.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No