Information card for entry 4339234

Structure parameters

• Formula: C56 H90 Ag2 N2 O P4
• Calculated formula: C56 H90 Ag2 N2 O P4
• SMILES: [Ag]1([P](c2c(N([Ag]34)c5c([P]3(C(C)C)C(C)C)cc(cc5)C)ccc(c2)C)(C(C)C)C(C)C)[P](c2c(N1c1c([P]4(C(C)C)C(C)C)cc(cc1)C)ccc(c2)C)(C(C)C)C(C)C.O(CC)CC
• 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: 12.4563 ± 0.0005 Å
• b: 14.3609 ± 0.0006 Å
• c: 16.9195 ± 0.0007 Å
• α: 105.46 ± 0.0019°
• β: 91.328 ± 0.002°
• γ: 95.677 ± 0.002°
• Cell volume: 2898.9 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0594
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7578
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No