Information card for entry 7119573

Structure parameters

• Common name: Ag2(?-Cl)2(NHC-N3)2
• Formula: C32 H26 Ag2 Cl2 N10
• Calculated formula: C32 H26 Ag2 Cl2 N10
• SMILES: [Ag]1(=C2N(C=CN2c2ccccc2N=N#N)Cc2ccccc2)[Cl][Ag](=C2N(C=CN2c2ccccc2N=N#N)Cc2ccccc2)[Cl]1
• Title of publication: A catalytic intramolecular nitrene insertion into a copper(i)-N-heterocyclic carbene bond yielding fused nitrogen heterocycles.
• Authors of publication: Fauché, Kévin; Nauton, Lionel; Jouffret, Laurent; Cisnetti, Federico; Gautier, Arnaud
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 2402 - 2405
• a: 8.4826 ± 0.0014 Å
• b: 9.7874 ± 0.0017 Å
• c: 11.235 ± 0.002 Å
• α: 65.594 ± 0.009°
• β: 73.444 ± 0.009°
• γ: 86.297 ± 0.009°
• Cell volume: 812.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No