Information card for entry 7106117

Structure parameters

• Formula: C47 H48 Ag Cl F3 N2 O5 P3 S
• Calculated formula: C47 H48 Ag Cl F3 N2 O5 P3 S
• SMILES: [Ag]12([P](c3ccccc3)(c3ccccc3)c3ccccc3N3[P]1(Cl)N(CC3)c1ccccc1[P]2(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F.O1CCCC1.O1CCCC1
• Title of publication: Guilty as charged: non-innocent behavior by a pincer ligand featuring a central cationic phosphenium donor
• Authors of publication: Gregory S. Day; Baofei Pan; Daniel L. Kellenberger; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3634
• a: 11.9962 ± 0.0005 Å
• b: 15.9208 ± 0.0007 Å
• c: 25.0428 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4782.9 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.1126
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9531
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No