Information card for entry 7027132

Structure parameters

• Formula: C22 H47 Bi N11 O19.5 S2
• Calculated formula: C22 H28 Bi N11 O19.5 S2
• Title of publication: Synthesis of water soluble DTPA complexes with pendant uracil moieties capable of forming complementary hydrogen bonds
• Authors of publication: Georgopoulou, Alexandra S.; Ulvenlund, Stefan; Mingos, D. Michael P.; Baxter, Ian; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 4
• Pages of publication: 547
• a: 10.6246 ± 0.0011 Å
• b: 21.341 ± 0.002 Å
• c: 16.676 ± 0.002 Å
• α: 90°
• β: 94.802 ± 0.009°
• γ: 90°
• Cell volume: 3767.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections: 0.1289
• Weighted residual factors for significantly intense reflections: 0.1168
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No