Information card for entry 7721027

Structure parameters

• Formula: C38 H53 Lu N8 O11
• Calculated formula: C33 H33 Lu N8 O6
• Title of publication: DNA-interacting lanthanide complexes with a DOTA-derived dipyrido[3,2-a;2',3'-c]phenazine ligand for near-infrared luminescence
• Authors of publication: Belis, Marek; Šrein, Jakub; Bhandary, Subhrajyoti; Premcheska, Simona; Lederer, Mirijam; Pompermayer Machado, Ian; Kaczmarek, Anna Marta; Van Hecke, Kristof
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 8.56379 ± 0.00013 Å
• b: 16.6043 ± 0.0003 Å
• c: 27.997 ± 0.0006 Å
• α: 90°
• β: 97.5109 ± 0.0017°
• γ: 90°
• Cell volume: 3946.9 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0474
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No