Information card for entry 1573929

Structure parameters

• Formula: C47 H70 F3 Gd N6 O20 S
• Calculated formula: C47 H50 F3 Gd N6 O20 S
• Title of publication: A switch-on luminescent europium(iii) probe for selective and time-resolved detection of adenosine diphosphate (ADP).
• Authors of publication: Bodman, Samantha E.; Stachelek, Patrycja; Rehman, Umatur; Plasser, Felix; Pal, Robert; Butler, Stephen J.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 13
• Pages of publication: 5602 - 5612
• a: 16.8352 ± 0.0003 Å
• b: 17.2648 ± 0.0002 Å
• c: 18.6772 ± 0.0003 Å
• α: 90°
• β: 94.3 ± 0.002°
• γ: 90°
• Cell volume: 5413.37 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No