Information card for entry 7112245

Structure parameters

• Formula: C44 H72 Ag Br N10
• Calculated formula: C44 H72 Ag Br N10
• SMILES: [Ag](Br)(=C1N(c2c(cc(cc2C)C)C)C=CN1CCN(C)C(=[NH+]C(C)C)NC(C)C)=C1N(c2c(cc(cc2C)C)C)C=CN1CCN(C)C(=[NH+]C(C)C)NC(C)C
• Title of publication: Synthesis of a guanidine NHC complex and its application in borylation reactions
• Authors of publication: Chia-Cheng Tai; Ming-Shiuan Yu; Yi-Lin Chen; Wen-Hang Chuang; Ting-Hua Lin; Glenn P. A. Yap; Tiow-Gan Ong
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4344
• a: 13.0229 ± 0.0014 Å
• b: 11.9754 ± 0.0012 Å
• c: 15.154 ± 0.0015 Å
• α: 90°
• β: 93.283 ± 0.004°
• γ: 90°
• Cell volume: 2359.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No