Information card for entry 1559085

Structure parameters

• Common name: Lanthanide Complex, DyDTPA-BMA Hydrate
• Formula: C16 H40 Dy N5 O15
• Calculated formula: C16 Dy N5 O15
• SMILES: [Dy]1234567([O]=C(NC)C[N]5(CC(=O)O1)CC[N]6(CC(=O)O2)CC[N]7(CC(=O)O3)CC(NC)=[O]4)[OH2].O.O.O.O.O.O
• Title of publication: Molecular and Crystal Structure of a Lanthanide Complex, DyDTPA-BMA Hydrate
• Authors of publication: Ehnebom, Lisbeth; Pedersen, Berit Faertoft
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1992
• Journal volume: 46
• Pages of publication: 126 - 130
• a: 9.358 ± 0.002 Å
• b: 25.187 ± 0.004 Å
• c: 12.009 ± 0.002 Å
• α: 90°
• β: 109.52 ± 0.01°
• γ: 90°
• Cell volume: 2667.8 ± 0.9 ų
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No