Information card for entry 7029542

Structure parameters

• Formula: C54 H57 Eu F9 N9 O12 S3
• Calculated formula: C54 H57 Eu F9 N9 O12 S3
• Title of publication: Synthesis, stereocontrol and structural studies of highly luminescent chiral tris-amidepyridyl-triazacyclononane lanthanide complexes.
• Authors of publication: Neil, Emily R.; Funk, Alexander M.; Yufit, Dmitry S.; Parker, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 14
• Pages of publication: 5490 - 5504
• a: 21.6423 ± 0.0008 Å
• b: 21.6423 ± 0.0008 Å
• c: 11.5027 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4665.9 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No