Information card for entry 4342997

Structure parameters

• Formula: C28 H30 Cl Ga N10 O12
• Calculated formula: C28 H30 Cl Ga N10 O12
• Title of publication: Nitroimidazole-Containing H2dedpa and H2CHXdedpa Derivatives as Potential PET Imaging Agents of Hypoxia with (68)Ga.
• Authors of publication: Ramogida, Caterina F.; Pan, Jinhe; Ferreira, Cara L.; Patrick, Brian O.; Rebullar, Karla; Yapp, Donald T. T.; Lin, Kuo-Shyan; Adam, Michael J.; Orvig, Chris
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4953 - 4965
• a: 38.298 ± 0.003 Å
• b: 9.811 ± 0.0008 Å
• c: 25.791 ± 0.002 Å
• α: 90°
• β: 130.773 ± 0.004°
• γ: 90°
• Cell volume: 7338.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No