Information card for entry 4305953

Structure parameters

• Formula: C23 H36 Cl Lu N4 O10
• Calculated formula: C23 H36 Cl Lu N4 O10
• Title of publication: Lanthanide Complexes Based on a 1,7-Diaza-12-crown-4 Platform Containing Picolinate Pendants: A New Structural Entry for the Design of Magnetic Resonance Imaging Contrast Agents
• Authors of publication: Marta Mato-Iglesias; Adrián Roca-Sabio; Zoltán Pálinkás; David Esteban-Gómez; Carlos Platas-Iglesias; Éva Tóth; Andrés de Blas; Teresa Rodríguez-Blas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7840 - 7851
• a: 8.642 ± 0.0019 Å
• b: 8.7926 ± 0.0019 Å
• c: 18.355 ± 0.004 Å
• α: 99.883 ± 0.004°
• β: 91.113 ± 0.004°
• γ: 98.435 ± 0.004°
• Cell volume: 1357.7 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No