Information card for entry 4129247

Structure parameters

• Chemical name: DF489
• Formula: C64 H92 Ag2 F6 N7 O8 P S2
• Calculated formula: C64 H92 Ag2 F6 N7 O8 P S2
• SMILES: [Ag](N([Ag]OS(=O)(=O)C(F)(F)F)P(N=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)N=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)OS(=O)(=O)C(F)(F)F.C1CCCO1.C1CCCO1
• Title of publication: Isolation of bridging and terminal coinage metal-nitrene complexes.
• Authors of publication: Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 10
• Pages of publication: 3800 - 3802
• a: 12.4071 ± 0.0005 Å
• b: 12.6841 ± 0.0005 Å
• c: 23.857 ± 0.0009 Å
• α: 98.235 ± 0.002°
• β: 98.559 ± 0.002°
• γ: 106.927 ± 0.002°
• Cell volume: 3482 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No