Information card for entry 7009699

Structure parameters

• Formula: C23 H41.5 N6 O8.5 Y
• Calculated formula: C23 H33 N6 O8.51 Y
• 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: 28.14 ± 0.03 Å
• b: 28.14 ± 0.03 Å
• c: 23.18 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15896 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No