Information card for entry 4068199

Structure parameters

• Formula: C82 H124 N4 O4 Sc2
• Calculated formula: C82 H124 N4 O4 Sc2
• Title of publication: Reactivity of Scandium β-Diketiminate Alkyl Complexes with Carbon Dioxide
• Authors of publication: LeBlanc, Francis A.; Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 810
• a: 23.3142 ± 0.0004 Å
• b: 10.5973 ± 0.0002 Å
• c: 33.2471 ± 0.0005 Å
• α: 90°
• β: 104.011 ± 0.001°
• γ: 90°
• Cell volume: 7969.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No