Information card for entry 4068934

Structure parameters

• Formula: C56 H72 Ag2 Cl2 N6 O6
• Calculated formula: C56 H72 Ag2 Cl2 N6 O6
• SMILES: c1(N2C(N(C=C2)CCOc2ccccc2OCCOCCOCCOc2c(OCCN3C(N(c4c(cccc4C(C)C)C(C)C)C=C3)=[Ag]Cl)cccc2)=[Ag]Cl)c(C(C)C)cccc1C(C)C.N#CC.N#CC
• Title of publication: Palladium(II)−N-Heterocyclic Carbene Metallacrown Ether Complexes: Synthesis, Structure, and Catalytic Activity in the Suzuki−Miyaura Reaction
• Authors of publication: Zhang, Xiaoqin; Qiu, Yuping; Rao, Bin; Luo, Meiming
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 3093
• a: 9.502 ± 0.003 Å
• b: 12.47 ± 0.002 Å
• c: 13.462 ± 0.004 Å
• α: 91.62 ± 0.03°
• β: 109.31 ± 0.02°
• γ: 95.46 ± 0.02°
• Cell volume: 1495.5 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1038
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No