Information card for entry 7039339

Structure parameters

• Formula: C19 H20 Ag Cl N2 O2
• Calculated formula: C19 H20 Ag Cl N2 O2
• SMILES: [Ag](Cl)=C1N(C=CN1Cc1cc(OC)ccc1)Cc1cc(OC)ccc1
• Title of publication: Carboxylation of terminal alkynes with CO2 using novel silver N-heterocyclic carbene complexes.
• Authors of publication: Li, Shanshan; Sun, Jing; Zhang, Zhizhi; Xie, Ruixia; Fang, Xiangchen; Zhou, Mingdong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10577 - 10584
• a: 15.9786 ± 0.0019 Å
• b: 7.879 ± 0.0009 Å
• c: 15.8991 ± 0.0018 Å
• α: 90°
• β: 114.739 ± 0.002°
• γ: 90°
• Cell volume: 1817.9 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No