Information card for entry 4121857

Structure parameters

• Formula: C77 H82 Eu N9 O6.5
• Calculated formula: C77 H82 Eu N9 O6.5
• SMILES: [Eu]123(Oc4c(c5c(cc4)cccc5)c4c(O1)ccc1c4cccc1)(Oc1c(c4c(cc1)cccc4)c1c(O2)ccc2c1cccc2)Oc1ccc2ccccc2c1c1c2ccccc2ccc1O3.[NH2+]=C(N(C)C)N(C)C.[NH2+]=C(N(C)C)N(C)C.[NH2+]=C(N(C)C)N(C)C.O1CCCC1
• Title of publication: Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.
• Authors of publication: Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 22
• Pages of publication: 8034
• a: 23.8149 ± 0.0017 Å
• b: 36.254 ± 0.003 Å
• c: 36.328 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31365 ± 4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No