Information card for entry 7015246

Structure parameters

• Formula: C21.5 H40.5 Br N4 O2.5
• Calculated formula: C21.5 H40.5 Br N4 O2.5
• Title of publication: Challenges in chelating positron emitting copper isotopes: tailored synthesis of unsymmetric chelators to form ultra stable complexes.
• Authors of publication: Silversides, Jon D.; Smith, Rachel; Archibald, Stephen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 23
• Pages of publication: 6289 - 6297
• a: 9.426 ± 0.003 Å
• b: 11.423 ± 0.004 Å
• c: 12.534 ± 0.005 Å
• α: 63.15 ± 0.02°
• β: 87.27 ± 0.03°
• γ: 81.51 ± 0.03°
• Cell volume: 1190.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2412
• Residual factor for significantly intense reflections: 0.1073
• Weighted residual factors for significantly intense reflections: 0.2958
• Weighted residual factors for all reflections included in the refinement: 0.3685
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No