Information card for entry 1574757

Structure parameters

• Formula: C26 H72 Cl6 N6 O27 Pr2
• Calculated formula: C26 H54 Cl6 N6 O27 Pr2
• Title of publication: Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.
• Authors of publication: Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 27
• Pages of publication: 12558 - 12567
• a: 9.9445 ± 0.0006 Å
• b: 11.2448 ± 0.0005 Å
• c: 13.1854 ± 0.0008 Å
• α: 94.789 ± 0.002°
• β: 109.861 ± 0.002°
• γ: 99.596 ± 0.002°
• Cell volume: 1351.64 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No