Information card for entry 7704296

Structure parameters

• Formula: C20 H35 Cl N P Rh
• Calculated formula: C20 H35 Cl N P Rh
• SMILES: [Rh]12([P](Cc3c2c(C[N]1(CC)CC)ccc3)(C(C)(C)C)C(C)(C)C)Cl
• 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: 12.2786 ± 0.0005 Å
• b: 13.4049 ± 0.0005 Å
• c: 13.7401 ± 0.0005 Å
• α: 90°
• β: 105.066 ± 0.004°
• γ: 90°
• Cell volume: 2183.79 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0984
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No