Information card for entry 1529197

Structure parameters

• Formula: C70 H100 N6 O2 Y2
• Calculated formula: C70 H100 N6 O2 Y2
• SMILES: [Y]123([O]4CCCC4)([N]4=[C]2([Y]25([O]6CCCC6)([N]6=CC=CC=[C]356)N(CCN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)C=CC=C4)N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: 2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate
• Authors of publication: Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5394
• a: 16.313 ± 0.007 Å
• b: 20.362 ± 0.009 Å
• c: 20.231 ± 0.009 Å
• α: 90°
• β: 92.019 ± 0.004°
• γ: 90°
• Cell volume: 6716 ± 5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No