Information card for entry 7704298

Structure parameters

• Formula: C20 H35 Cl N2 O P Rh
• Calculated formula: C20 H35 Cl N2 O P Rh
• SMILES: [Rh]12(Cl)([P](C(C)(C)C)(C(C)(C)C)Cc3cccc(C[N]1(CC)CC)c23)N=O
• Title of publication: Synthesis, structure and reactivity of NO⁺, NO˙ and NO^- pincer PCN-Rh complexes.
• Authors of publication: Gallego, Cecilia Mariel; Gaviglio, Carina; Ben-David, Yehoshoa; Milstein, David; Doctorovich, Fabio; Pellegrino, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 21
• Pages of publication: 7093 - 7108
• a: 10.8734 ± 0.0005 Å
• b: 15.0578 ± 0.0006 Å
• c: 14.9966 ± 0.0007 Å
• α: 90°
• β: 110.744 ± 0.005°
• γ: 90°
• Cell volume: 2296.21 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No