Information card for entry 7009698

Structure parameters

• Formula: C24 H46 N6 O9.5 Sm
• Calculated formula: C24 H33 N6 O9.5 Sm
• Title of publication: Lanthanide complexes of a new nonadentate ligand derived from 1,4,7-triazacyclononane: synthesis, structural characterisation and NMR spectroscopic studies
• Authors of publication: Tei, Lorenzo; Baum, Gerhard; Blake, Alexander J.; Fenske, Dieter; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2793
• a: 28.337 ± 0.004 Å
• b: 28.337 ± 0.004 Å
• c: 23.405 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16276 ± 5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No