Information card for entry 4119754

Structure parameters

• Formula: C32 H50 B N2 O P2 Rh
• Calculated formula: C32 H50 B N2 O P2 Rh
• SMILES: [Rh]123([P](CN4B3N(c3c4cccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(=O)c1ccccc1C2
• Title of publication: Oxidative Addition of a Strained C-C Bond onto Electron-Rich Rhodium(I) at Room Temperature
• Authors of publication: Yusuke Masuda; Maki Hasegawa; Makoto Yamashita; Kyoko Nozaki; Naoki Ishida; Masahiro Murakami
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 7142 - 7145
• a: 12.139 ± 0.003 Å
• b: 12.768 ± 0.003 Å
• c: 21.324 ± 0.006 Å
• α: 84.987 ± 0.007°
• β: 89.233 ± 0.007°
• γ: 80.471 ± 0.006°
• Cell volume: 3247 ± 1.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No