Information card for entry 4345739

Structure parameters

• Formula: C30 H60 Hf3 N6 O27
• Calculated formula: C30 H58 Hf3 N6 O27
• Title of publication: Hafnium-Based Contrast Agents for X-ray Computed Tomography.
• Authors of publication: Berger, Markus; Bauser, Marcus; Frenzel, Thomas; Hilger, Christoph Stephan; Jost, Gregor; Lauria, Silvia; Morgenstern, Bernd; Neis, Christian; Pietsch, Hubertus; Sülzle, Detlev; Hegetschweiler, Kaspar
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 5757 - 5761
• a: 19.33 ± 0.0016 Å
• b: 18.2638 ± 0.0016 Å
• c: 12.0345 ± 0.001 Å
• α: 90°
• β: 99.968 ± 0.006°
• γ: 90°
• Cell volume: 4184.5 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No