Information card for entry 1557559

Structure parameters

• Common name: Sodium Diatrizoate
• Formula: C11 H16 I3 N2 Na O8
• Calculated formula: C11 I3 N2 Na O8.25
• Title of publication: Molecular and Crystal Structure of Sodium Diatrizoate, an X-Ray Contrast Agent
• Authors of publication: Tonnesen, Lisbeth Ehnebom; Pedersen, Berit Fjaertoft; Klaveness, Jo
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1996
• Journal volume: 50
• Pages of publication: 603 - 608
• a: 11.754 ± 0.002 Å
• b: 13.091 ± 0.003 Å
• c: 15.129 ± 0.004 Å
• α: 76.32 ± 0.02°
• β: 84.56 ± 0.02°
• γ: 63.5 ± 0.01°
• Cell volume: 2024.1 ± 0.8 ų
• Ambient diffraction temperature: 138 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 significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.028
• Goodness-of-fit parameter for all reflections included in the refinement: 2.25
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No