Information card for entry 7710243

Structure parameters

• Formula: C33 H29 Cl N2 P2 Pd Si
• Calculated formula: C33 H29 Cl N2 P2 Pd Si
• SMILES: [Pd]12(Cl)[P](c3ccccc3)(c3n([Si]2(n2c([P]1(c1ccccc1)c1ccccc1)ccc2)C)ccc3)c1ccccc1
• 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: 9.6594 ± 0.0003 Å
• b: 13.5514 ± 0.0004 Å
• c: 23.5488 ± 0.0006 Å
• α: 90°
• β: 97.838 ± 0.001°
• γ: 90°
• Cell volume: 3053.7 ± 0.15 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0328
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No