Information card for entry 4343976

Structure parameters

• Formula: C38 H45 Al2 Cl6 N5 O
• Calculated formula: C38 H45 Al2 Cl6 N5 O
• Title of publication: Synthesis and Characterization of α-Diimine Complexes of Group 13 Metals and Their Catalytic Activity toward the Epoxidation of Alkenes.
• Authors of publication: Koellner, Connor A.; Piro, Nicholas A.; Kassel, W. Scott; Goldsmith, Christian R.; Graves, Christopher R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7139 - 7141
• a: 15.7879 ± 0.0007 Å
• b: 22.0145 ± 0.0009 Å
• c: 25.0668 ± 0.0011 Å
• α: 90°
• β: 99.624 ± 0.002°
• γ: 90°
• Cell volume: 8589.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No