Information card for entry 7057498

Structure parameters

• Formula: C38 H112 Cu3 N10 O31 P2
• Calculated formula: C38 H112 Cu3 N10 O31 P2
• Title of publication: Optimization of the selectivity and rate of copper radioisotope complexation: formation and dissociation kinetic studies of 1,4,8-trimethylcyclam-based ligands with different coordinating pendant arms
• Authors of publication: Paúrová, Monika; David, Tomáš; Císařová, Ivana; Lubal, Přemysl; Hermann, Petr; Kotek, Jan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 11908
• a: 16.4181 ± 0.0006 Å
• b: 12.7243 ± 0.0004 Å
• c: 16.7191 ± 0.0005 Å
• α: 90°
• β: 110.964 ± 0.001°
• γ: 90°
• Cell volume: 3261.57 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No