Information card for entry 4123756

Structure parameters

• Formula: C84 H80 Li3 O11 Pr
• Calculated formula: C84 H80 Li3 O11 Pr
• Title of publication: Exchange Processes in Shibasaki's Rare Earth Alkali Metal BINOLate Frameworks and Their Relevance in Multifunctional Asymmetric Catalysis.
• Authors of publication: Robinson, Jerome R.; Gu, Jun; Carroll, Patrick J.; Schelter, Eric J.; Walsh, Patrick J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 22
• Pages of publication: 7135 - 7144
• a: 11.5108 ± 0.0005 Å
• b: 14.3754 ± 0.0006 Å
• c: 43.5215 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7201.6 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No