Information card for entry 1512083

Structure parameters

• Formula: C48 H60 F12 N4 O4 Pd Sb2
• Calculated formula: C48 H60 F12 N4 O4 Pd Sb2
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)([F-])(F)F.[Pd]12([OH2])(=C3N(C(=C(N3c3c(OC(C)C)cccc3)C)C)Cc3c(cc(cc3C)C)C)=C3N(C(=C(N3C[C]13=[C]2(C=C(C=C3C)C)C)C)C)c1c(OC(C)C)cccc1.O
• Title of publication: Ether-imidazolium carbenes for suzuki-miyaura cross-coupling of heteroaryl chlorides with aryl/heteroarylboron reagents.
• Authors of publication: Kuriyama, Masami; Matsuo, Seira; Shinozawa, Mina; Onomura, Osamu
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2716 - 2719
• a: 11.9986 ± 0.0013 Å
• b: 23.347 ± 0.003 Å
• c: 19.104 ± 0.002 Å
• α: 90°
• β: 92.8783 ± 0.0016°
• γ: 90°
• Cell volume: 5344.9 ± 1.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No