Information card for entry 1574861

Structure parameters

• Formula: C116.654 H97.264 Ga8 N16.218 Nd2 O61.087
• Calculated formula: C116.648 H97.264 Ga8 N16.216 Nd2 O61.092
• Title of publication: Novel lanthanide(iii)/gallium(iii) metallacrowns with appended visible-absorbing organic sensitizers for molecular near-infrared imaging of living cells.
• Authors of publication: Lathion, Timothée; Bourseguin, Julie; Eliseeva, Svetlana V.; Zeller, Matthias; Petoud, Stéphane; Pecoraro, Vincent L.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 27
• Pages of publication: 12623 - 12634
• a: 25.4801 ± 0.0015 Å
• b: 23.6113 ± 0.0015 Å
• c: 20.8659 ± 0.0015 Å
• α: 90°
• β: 127.581 ± 0.004°
• γ: 90°
• Cell volume: 9948.4 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No