Information card for entry 7223478

Structure parameters

• Common name: Copper NOTThia complex perchlorate
• Formula: C18 H24 Cl2 Cu N6 O8 S3
• Calculated formula: C18 H24 Cl2 Cu N6 O8 S3
• 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: 17.67 ± 0.0012 Å
• b: 15.8947 ± 0.0011 Å
• c: 23.4201 ± 0.0012 Å
• α: 90°
• β: 129.627 ± 0.003°
• γ: 90°
• Cell volume: 5066.3 ± 0.6 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No