Information card for entry 4302722

Structure parameters

• Formula: C23 H47 Cl3 N9 O21 Tm
• Calculated formula: C23 H43 Cl3 N9 O21 Tm
• Title of publication: Lanthanide Complexes of Triethylenetetramine Tetra-, Penta-, and Hexaacetamide Ligands as Paramagnetic Chemical Exchange-Dependent Saturation Transfer Contrast Agents for Magnetic Resonance Imaging: Nona- versus Decadentate Coordination
• Authors of publication: Dirk Burdinski; Jeroen A. Pikkemaat; Johan Lub; Peter de Peinder; Lidia Nieto Garrido; Thomas Weyhermüller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6692 - 6712
• a: 15.8565 ± 0.0005 Å
• b: 18.8304 ± 0.0006 Å
• c: 13.0221 ± 0.0004 Å
• α: 90°
• β: 98.456 ± 0.002°
• γ: 90°
• Cell volume: 3845.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No