Information card for entry 4304468

Structure parameters

• Formula: C9 H15 Br N3 O3 Re
• Calculated formula: C9 H15 Br N3 O3 Re
• Title of publication: Assessment of Macrocyclic Triamine Ligands As Synthons for Organometallic 99mTc Radiopharmaceuticals
• Authors of publication: Keisuke Suzuki; Naomi Shimmura; Khajadpai Thipyapong; Tomoya Uehara; Hiromichi Akizawa; Yasushi Arano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2593 - 2600
• a: 14.816 ± 0.002 Å
• b: 13.776 ± 0.003 Å
• c: 13.667 ± 0.003 Å
• α: 89°
• β: 89°
• γ: 90°
• Cell volume: 2788.7 ± 0.9 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 2.295
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No