Information card for entry 4075472

Structure parameters

• Formula: C60 H66 Ag3 I3 N18
• Calculated formula: C60 H66 Ag3 I3 N18
• SMILES: C1(N(C=CN1C)Cc1ccccn1)=[Ag]([I]([Ag](=C1N(C=CN1Cc1ccccn1)C)=C1N(C=CN1Cc1ccccn1)C)[Ag](=C1N(C=CN1Cc1ccccn1)C)=C1N(C=CN1Cc1ccccn1)C)=C1N(C=CN1Cc1ccccn1)C.[I-].[I-]
• Title of publication: A Trinuclear Silver(I) Functionalized N-Heterocyclic Carbene Complex and Its Use in Transmetalation: Structure and Catalytic Activity for Olefin Polymerization
• Authors of publication: Wang, Xin; Liu, Shuang; Weng, Lin-Hong; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 3565
• a: 13.151 ± 0.002 Å
• b: 13.151 ± 0.002 Å
• c: 68.335 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10235 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No