Information card for entry 7034955

Structure parameters

• Formula: C22 H40 N3 O P2 Rh
• Calculated formula: C22 H40 N3 O P2 Rh
• SMILES: [Rh]12(P(=Nc3[n]2c(N[P]1(C(C)(C)C)C(C)(C)C)ccc3)(C(C)(C)C)C(C)(C)C)C#[O]
• Title of publication: C-H and H-H bond activation via ligand dearomatization/rearomatization of a PN(3)P-rhodium(i) complex.
• Authors of publication: Wang, Yuan; Zheng, Bin; Pan, Yupeng; Pan, Chengling; He, Lipeng; Huang, Kuo-Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15111 - 15115
• a: 22.5273 ± 0.0004 Å
• b: 8.11695 ± 0.00015 Å
• c: 14.1994 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2596.4 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No