Information card for entry 4301711

Structure parameters

• Formula: C105 H156 N6 O6 Sc2
• Calculated formula: C105 H156 N6 O6 Sc2
• Title of publication: Scandium SALEN Complexes Bearing Chloro, Aryloxo, and Hydroxo Ligands
• Authors of publication: Christian Meermann; Karl W. Törnroos; Reiner Anwander
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2561 - 2570
• a: 20.5546 ± 0.0015 Å
• b: 22.3221 ± 0.0016 Å
• c: 28.192 ± 0.002 Å
• α: 90°
• β: 98.122 ± 0.001°
• γ: 90°
• Cell volume: 12805.4 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1269
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.2416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No