Information card for entry 7039337

Structure parameters

• Formula: C34 H28 Ag2 Cl6 N4
• Calculated formula: C34 H28 Ag2 Cl6 N4
• SMILES: C1(N(C=CN1Cc1ccc(cc1)Cl)Cc1ccc(cc1)Cl)=[Ag]1[Cl][Ag](=C2N(C=CN2Cc2ccc(cc2)Cl)Cc2ccc(cc2)Cl)[Cl]1
• 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: 9.757 ± 0.003 Å
• b: 9.169 ± 0.003 Å
• c: 19.3 ± 0.005 Å
• α: 90°
• β: 91.39 ± 0.004°
• γ: 90°
• Cell volume: 1726.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0792
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No