Information card for entry 7238440

Structure parameters

• Formula: C53 H42 Cl N2 O P2 Rh
• Calculated formula: C53 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: 11.116 ± 0.003 Å
• b: 11.742 ± 0.004 Å
• c: 18.141 ± 0.006 Å
• α: 108.857 ± 0.004°
• β: 99.704 ± 0.005°
• γ: 100.613 ± 0.005°
• Cell volume: 2135.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No