Information card for entry 4083195

Structure parameters

• Formula: C22 H18 Ag2 Cl2 N6 S2
• Calculated formula: C22 H18 Ag2 Cl2 N6 S2
• SMILES: s1c(N2C(=[Ag]3[Cl][Ag](=C4N(C=CN4c4nc5ccccc5s4)C)[Cl]3)N(C=C2)C)nc2ccccc12
• Title of publication: Cyclopentadienyl Molybdenum(II) N,C-Chelating Benzothiazole-Carbene Complexes: Synthesis, Structure, and Application in Cyclooctene Epoxidation Catalysis
• Authors of publication: Wang, Zhe; Ng, Sin Wee Benny; Jiang, Lu; Leong, Wen Jin; Zhao, Jin; Hor, T. S. Andy
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2457
• a: 6.9801 ± 0.0009 Å
• b: 7.116 ± 0.0009 Å
• c: 12.9672 ± 0.0016 Å
• α: 92.073 ± 0.002°
• β: 105.116 ± 0.002°
• γ: 107.034 ± 0.002°
• Cell volume: 590.09 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No