Information card for entry 4074020

Structure parameters

• Formula: C50 H42 Cl N2 O P2 Rh
• Calculated formula: C50 H42 Cl N2 O P2 Rh
• SMILES: [Rh]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)Oc3ccc(cc3[N]1=Nc1c2cccc1C)C
• 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: 18.198 ± 0.0007 Å
• b: 11.9925 ± 0.0005 Å
• c: 20.5405 ± 0.0008 Å
• α: 90°
• β: 112.547 ± 0.001°
• γ: 90°
• Cell volume: 4140.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No