Information card for entry 7115232

Structure parameters

• Formula: C36 H69 Eu F18 N8 O14.5 P3
• Calculated formula: C36 H66 Eu F18 N8 O14.5 P3
• Title of publication: Dependence of the relaxivity and luminescence of gadolinium and europium amino-acid complexes on hydrogencarbonate and pH
• Authors of publication: Aime, Silvio; Barge, Alessandro; Botta, Mauro; Howard, Judith A. K.; Kataky, Ritu; Lowe, Mark P.; Moloney, Janet M.; Parker, David; de Sousa, Alvaro S.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 11
• Pages of publication: 1047
• a: 12.5731 ± 0.0004 Å
• b: 15.4085 ± 0.0005 Å
• c: 29.7563 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5764.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No