Information card for entry 4074021

Structure parameters

• Formula: C55 H52 Cl N2 O P2 Rh
• Calculated formula: C55 H52 Cl N2 O P2 Rh
• SMILES: c12ccc(C)cc1[N]1=Nc3c(C(C)C)cc(C(C)C)cc3[Rh]1(Cl)(O2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Rhodium-Mediated C‒C Bond Activation of 2-(2′,6′-Dialkylarylazo)-4-methylphenols. Elimination and Migration of Alkyl Groups
• Authors of publication: Baksi, Suparna; Acharyya, Rama; Basuli, Falguni; Peng, Shie-Ming; Lee, Gene-Hsiang; Nethaji, Munirathinam; Bhattacharya, Samaresh
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 26
• Pages of publication: 6596
• a: 15.887 ± 0.005 Å
• b: 12.016 ± 0.004 Å
• c: 25.41 ± 0.009 Å
• α: 90°
• β: 100.139 ± 0.007°
• γ: 90°
• Cell volume: 4775 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2075
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.2113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No