Information card for entry 7238443

Structure parameters

• Formula: C56 H42 Cl N2 O P2 Rh
• Calculated formula: C56 H42 Cl N2 O P2 Rh
• Title of publication: C(naphthyl)‒H bond activation by rhodium: isolation, characterization and TD-DFT study of the cyclometallates
• Authors of publication: Narayan Biswas, Achintesh; Das, Purak; Sengupta, Sandip; Choudhury, Amitava; Bandyopadhyay, Pinaki
• Journal of publication: RSC Advances
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 7
• Pages of publication: 1279
• a: 11.905 ± 0.003 Å
• b: 17.478 ± 0.004 Å
• c: 22.043 ± 0.005 Å
• α: 90°
• β: 95.527 ± 0.004°
• γ: 90°
• Cell volume: 4565.3 ± 1.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No