Information card for entry 4085635

Structure parameters

• Formula: C32 H31 Ag Cl7 N3
• Calculated formula: C32 H31 Ag Cl7 N3
• SMILES: [Ag](Cl)=C1N2C(=CN1N1[C@@H](CC[C@H]1c1ccccc1)c1ccccc1)C=CC=C2c1ccccc1.ClCCl.ClCCl.ClCCl
• Title of publication: Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis
• Authors of publication: Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.
• Journal of publication: Organometallics
• Year of publication: 2015
• Pages of publication: 150320082744001
• a: 10.2181 ± 0.0011 Å
• b: 11.8516 ± 0.0012 Å
• c: 15.2131 ± 0.0016 Å
• α: 76.187 ± 0.002°
• β: 73.619 ± 0.003°
• γ: 80.858 ± 0.003°
• Cell volume: 1708.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No