Information card for entry 7034956

Structure parameters

• Formula: C25 H46 N3 O7 P2 Rh
• Calculated formula: C25 H46 N3 O7 P2 Rh
• SMILES: [Rh]12(C#[O])[P](C(C)(C)C)(C(C)(C)C)Nc3cccc(N[P]1(C(C)(C)C)C(C)(C)C)[n]23.C(=O)O.C(=O)[O-].C(=O)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: 8.15073 ± 0.00017 Å
• b: 23.7055 ± 0.0006 Å
• c: 8.4853 ± 0.0002 Å
• α: 90°
• β: 100.062 ± 0.002°
• γ: 90°
• Cell volume: 1614.29 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No