Information card for entry 4082154

Structure parameters

• Formula: C78 H75 Eu O9 Zn3
• Calculated formula: C78 H75 Eu O9 Zn3
• SMILES: [Eu]12345([O]6[Zn]([O]1c1ccc7ccccc7c1c1c7ccccc7ccc1[O]2[Zn]([O]3c1ccc2ccccc2c1c1c2ccccc2ccc1[O]4[Zn]([O]5c1ccc2ccccc2c1c1c2ccccc2ccc16)CC)([O]1CCCC1)CC)([O]1CCCC1)CC)[O]1CCCC1
• Title of publication: Synthesis and Catalytic Activity of Heterobimetallic Rare Earth‒Zinc Ethyl BINOLate Analogues of Shibasaki’s Catalysts
• Authors of publication: Nieto, Ismael; Wooten, Alfred J.; Robinson, Jerome R.; Carroll, Patrick J.; Schelter, Eric J.; Walsh, Patrick J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7431
• a: 11.9711 ± 0.0008 Å
• b: 22.8396 ± 0.0016 Å
• c: 12.191 ± 0.0009 Å
• α: 90°
• β: 91.279 ± 0.001°
• γ: 90°
• Cell volume: 3332.4 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No