Information card for entry 7710241

Structure parameters

• Formula: C32 H28 Cl2 N2 P2 Pt
• Calculated formula: C32 H28 Cl2 N2 P2 Pt
• SMILES: [Pt](Cl)(Cl)([P](c1[nH]ccc1)(c1ccccc1)c1ccccc1)[P](c1[nH]ccc1)(c1ccccc1)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: 9.3937 ± 0.0004 Å
• b: 12.221 ± 0.0004 Å
• c: 14.1646 ± 0.0005 Å
• α: 99.463 ± 0.001°
• β: 100.96 ± 0.001°
• γ: 111.243 ± 0.001°
• Cell volume: 1438.79 ± 0.09 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No