Information card for entry 7223476

Structure parameters

• Common name: Copper NOTI complex perchlorate
• Formula: C18 H30 Cl3 Cu N9 O13.3
• Calculated formula: C18 H30 Cl3 Cu N9 O13.304
• 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: 11.8317 ± 0.0003 Å
• b: 13.3857 ± 0.0003 Å
• c: 36.8172 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5830.9 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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 all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No