Information card for entry 4339233

Structure parameters

• Formula: C26 H40 N P2 Tl
• Calculated formula: C26 H40 N P2 Tl
• SMILES: [Tl]12[P](c3cc(C)ccc3N1c1ccc(C)cc1[P]2(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Silver(I) and thallium(I) complexes of a PNP ligand and their utility as PNP transfer reagents.
• Authors of publication: DeMott, Jessica C.; Basuli, Falguni; Kilgore, Uriah J.; Foxman, Bruce M.; Huffman, John C.; Ozerov, Oleg V.; Mindiola, Daniel J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6271 - 6276
• a: 17.6779 ± 0.001 Å
• b: 14.6764 ± 0.0008 Å
• c: 20.584 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5340.5 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 0.748
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No