Information card for entry 7223475

Structure parameters

• Common name: Copper NOTI-Me complex tetrafluoroborate
• Formula: C21 H33 B2 Cu F8 N9
• Calculated formula: C21 H33 B2 Cu F8 N9
• Title of publication: Synthesis,64Cu-labeling and PET imaging of 1,4,7-triazacyclononane derived chelators with pendant azaheterocyclic arms
• Authors of publication: Gotzmann, Carla; Braun, Friederike; Bartholomä, Mark D
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.0381 ± 0.0002 Å
• b: 11.0381 ± 0.0002 Å
• c: 13.102 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1382.47 ± 0.05 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No