Information card for entry 7004575

Structure parameters

• Formula: C72 H98 B N2 O6 Sc
• Calculated formula: C72 H98 B N2 O6 Sc
• Title of publication: Cationic rare-earth metal SALEN complexes
• Authors of publication: Liu, Qiancai; Meermann, Christian; Görlitzer, Hans W.; Runte, Oliver; Herdtweck, Eberhardt; Sirsch, Peter; Törnroos, Karl W.; Anwander, Reiner
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6170 - 6178
• a: 15.2346 ± 0.0006 Å
• b: 20.0205 ± 0.0008 Å
• c: 21.9514 ± 0.0008 Å
• α: 90°
• β: 90.325 ± 0.001°
• γ: 90°
• Cell volume: 6695.2 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0862
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No