Information card for entry 1573093

Structure parameters

• Formula: C29 H24 Ag Cl N2
• Calculated formula: C29 H24 Ag Cl N2
• SMILES: C1(N(C=CN1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)=[Ag]Cl
• Title of publication: IBzH (IBenzhydryl): sterically-flexible N-aliphatic N-heterocyclic carbenes (NHCs) for iron-catalyzed C(sp3)–C(sp2) cross-coupling of unactivated haloalkanes
• Authors of publication: Kardela, Marlena; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 7002 - 7008
• a: 13.0868 ± 0.0011 Å
• b: 15.0378 ± 0.0014 Å
• c: 12.4442 ± 0.0009 Å
• α: 90°
• β: 91.317 ± 0.007°
• γ: 90°
• Cell volume: 2448.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No