Information card for entry 7704295

Structure parameters

• Formula: C52 H47 B F24 N2 O P Rh
• Calculated formula: C52 H47 B F24 N2 O P Rh
• 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: 12.2707 ± 0.0005 Å
• b: 36.6662 ± 0.0014 Å
• c: 12.3316 ± 0.0005 Å
• α: 90°
• β: 92.264 ± 0.001°
• γ: 90°
• Cell volume: 5543.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No