Information card for entry 4035900

Structure parameters

• Chemical name: RM4010
• Formula: C14 H16 Ag Cl N2
• Calculated formula: C14 H16 Ag Cl N2
• SMILES: [Ag](Cl)=C1N([C@@H]2[C@H](N1C)[C@@H]1c3c(cccc3)[C@H]2C1)C
• Title of publication: Influences of Phenyl Rings on NHC Ligands with Bicyclic Architectures.
• Authors of publication: Ando, Shin; Miyata, Ryota; Matsunaga, Hirofumi; Ishizuka, Tadao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 1
• Pages of publication: 128 - 139
• a: 14.0029 ± 0.0003 Å
• b: 13.7401 ± 0.0003 Å
• c: 14.1052 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2713.86 ± 0.1 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No