Information card for entry 7015298

Structure parameters

• Formula: C27.5 H22 Br1.5 N4 O10.5 Re1.5
• Calculated formula: C27.5 H22 Br1.5 N4 O10.5 Re1.5
• Title of publication: One to chelate them all: investigation of a versatile, bifunctional chelator for (64)Cu, (99m)Tc, Re and Co.
• Authors of publication: Boros, Eszter; Lin, Yi-Heng Scott; Ferreira, Cara L.; Patrick, Brian O.; Häfeli, Urs O; Adam, Michael J.; Orvig, Chris
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 23
• Pages of publication: 6253 - 6259
• a: 12.3723 ± 0.001 Å
• b: 17.5236 ± 0.0014 Å
• c: 14.8402 ± 0.0012 Å
• α: 90°
• β: 112.128 ± 0.002°
• γ: 90°
• Cell volume: 2980.5 ± 0.4 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No