Information card for entry 7710240

Structure parameters

• Formula: C52 H44 N2 O P3 Rh Si
• Calculated formula: C52 H44 N2 O P3 Rh Si
• SMILES: [Rh]12([P](c3n([Si]2(n2cccc2[P]1(c1ccccc1)c1ccccc1)C)ccc3)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Synthesis of pyrrole-based PSiP pincer ligands and their palladium, rhodium, and platinum complexes
• Authors of publication: Vidlak, Julia F.; Cosio, Mario N.; Sriramaneni, Nihal K.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Johnson, Miles W.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.3827 ± 0.0003 Å
• b: 12.4422 ± 0.0004 Å
• c: 19.4032 ± 0.0006 Å
• α: 95.962 ± 0.001°
• β: 105.472 ± 0.001°
• γ: 110.09 ± 0.001°
• Cell volume: 2215.2 ± 0.12 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0335
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No