Information card for entry 4114327

Structure parameters

• Common name: Europium Macrobicyclic TRENSAM
• Formula: C36 H41 Br0.25 Cl0.25 Eu0.5 N8 O9
• Calculated formula: C38.5 H41.5 Br0.25 Cl0.25 Eu0.5 N8.5 O13.975
• Title of publication: Stable Lanthanide Luminescence Agents Highly Emissive in Aqueous Solution: Multidentate 2-Hydroxyisophthalamide Complexes of Sm3+, Eu3+, Tb3+, Dy3+
• Authors of publication: Stéphane Petoud; Seth M. Cohen; Jean-Claude G. Bünzli; Kenneth N. Raymond
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 13324 - 13325
• a: 14.8309 ± 0.0002 Å
• b: 16.4624 ± 0.0002 Å
• c: 21.0129 ± 0.0002 Å
• α: 78.821 ± 0.001°
• β: 73.072 ± 0.001°
• γ: 72.512 ± 0.001°
• Cell volume: 4649.28 ± 0.1 ų
• Cell temperature: 176 ± 2 K
• Ambient diffraction temperature: 176 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1646
• Residual factor for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections: 0.3893
• Weighted residual factors for significantly intense reflections: 0.3411
• Goodness-of-fit parameter for all reflections: 1.133
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No