Information card for entry 4022966

Structure parameters

• Common name: RajanBabu 1379
• Formula: C107.5 H126 N4 O6 Y2
• Calculated formula: C107.5 H126 N4 O6 Y2
• Title of publication: Exceptionally Active Yttrium-Salen Complexes for the Catalyzed Ring Opening of Epoxides by TMSCN and TMSN~3~
• Authors of publication: Biswajit Saha; Mei-Huey Lin; T. V. RajanBabu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 8648 - 8655
• a: 17.9792 ± 0.0002 Å
• b: 19.2948 ± 0.0003 Å
• c: 30.509 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10583.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0803
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No